
  ___ ___ ___ _ _ _  
 |   |   |_  | | | | 
 | | | | | . | | | | 
 |__ |  _|___|_____|  1.5.1
 |___|_|             

User:   hao@node045.cluster
Date:   Wed Jan  5 08:56:05 2022
Arch:   x86_64
Pid:    7121
Python: 3.6.12
gpaw:   /software/kemi/gpaw/1.5.1/gpaw
_gpaw:  /software/kemi/gpaw/1.5.1/bin/gpaw-python
ase:    /software/kemi/ase/3.17.0/ase (version 3.17.0)
numpy:  /opt/rh/rh-python36/root/usr/lib64/python3.6/site-packages/numpy (version 1.13.1)
scipy:  /opt/rh/rh-python36/root/usr/lib64/python3.6/site-packages/scipy (version 0.19.1)
units:  Angstrom and eV
cores:  120

Input parameters:
  h: 0.18
  kpts: [3 3 1]
  xc: RPBE

System changes: positions, numbers, cell, pbc, initial_charges, initial_magmoms 

Initialize ...

O-setup:
  name: Oxygen
  id: 08071ca1eed670e7821b24b7eb4d558c
  Z: 8
  valence: 6
  core: 2
  charge: 0.0
  file: /software/kemi/gpaw-setups/0.9.20000/O.RPBE.gz
  cutoffs: 0.67(comp), 1.17(filt), 0.83(core), lmax=2
  valence states:
                energy  radius
    2s(2.00)   -24.041   0.688
    2p(4.00)    -8.984   0.598
    *s           3.170   0.688
    *p          18.228   0.598
    *d           0.000   0.619

  Using partial waves for O as LCAO basis

Pt-setup:
  name: Platinum
  id: f04f522592575c47ad794f6b4a415b4b
  Z: 78
  valence: 16
  core: 62
  charge: 0.0
  file: /software/kemi/gpaw-setups/0.9.20000/Pt.RPBE.gz
  cutoffs: 1.29(comp), 2.26(filt), 2.26(core), lmax=2
  valence states:
                energy  radius
    6s(1.00)    -5.516   1.307
    5p(6.00)   -55.971   1.371
    6p(0.00)    -0.856   1.371
    5d(9.00)    -6.087   1.307
    *s          21.695   1.307
    *d          21.125   1.307

  Using partial waves for Pt as LCAO basis

N-setup:
  name: Nitrogen
  id: ee8436d228dc42b9589ef0e60c8ce05c
  Z: 7
  valence: 5
  core: 2
  charge: 0.0
  file: /software/kemi/gpaw-setups/0.9.20000/N.RPBE.gz
  cutoffs: 0.58(comp), 1.11(filt), 0.96(core), lmax=2
  valence states:
                energy  radius
    2s(2.00)   -18.658   0.603
    2p(3.00)    -7.050   0.529
    *s           8.553   0.603
    *p          20.161   0.529
    *d           0.000   0.577

  Using partial waves for N as LCAO basis

Reference energy: -12110383.864724

Spin-paired calculation

Occupation numbers:
  Fermi-Dirac: width=0.1000 eV

Convergence criteria:
  Maximum total energy change: 0.0005 eV / electron
  Maximum integral of absolute density change: 0.0001 electrons
  Maximum integral of absolute eigenstate change: 4e-08 eV^2
  Maximum number of iterations: 333

Symmetries present (total): 2

  ( 1  0  0)  (-1  0  0)
  ( 0  1  0)  ( 0  1  0)
  ( 0  0  1)  ( 0  0  1)

9 k-points: 3 x 3 x 1 Monkhorst-Pack grid
4 k-points in the irreducible part of the Brillouin zone
       k-points in crystal coordinates                weights
   0:     0.00000000    0.00000000    0.00000000          1/9
   1:     0.00000000    0.33333333    0.00000000          2/9
   2:     0.33333333    0.00000000    0.00000000          2/9
   3:     0.33333333    0.33333333    0.00000000          4/9

Wave functions: Uniform real-space grid
  Kinetic energy operator: 6*3+1=19 point O(h^6) finite-difference Laplacian
  ScaLapack parameters: grid=1x1, blocksize=None
  Wavefunction extrapolation:
    Improved wavefunction reuse through dual PAW basis 

Eigensolver
   Davidson(niter=2, smin=None, normalize=True) 

Densities:
  Coarse grid: 36*56*184 grid
  Fine grid: 72*112*368 grid
  Total Charge: 0.000000 

Density mixing:
  Method: separate
  Backend: pulay
  Linear mixing parameter: 0.05
  Mixing with 5 old densities
  Damping of long wave oscillations: 50 

Hamiltonian:
  XC and Coulomb potentials evaluated on a 72*112*368 grid
  Using the RPBE Exchange-Correlation functional
  Interpolation: tri-quintic (5. degree polynomial)
  Poisson solver: FastPoissonSolver using
    6*3+1=19 point O(h^6) finite-difference Laplacian stencil;
    FFT axes: [0, 1];
    FST axes: [2].
 

XC parameters: RPBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 124.70 MiB
  Calculator: 871.48 MiB
    Density: 59.13 MiB
      Arrays: 12.18 MiB
      Localized functions: 42.34 MiB
      Mixer: 4.61 MiB
    Hamiltonian: 10.65 MiB
      Arrays: 7.97 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 2.68 MiB
    Wavefunctions: 801.70 MiB
      Arrays psit_nG: 382.06 MiB
      Eigensolver: 412.84 MiB
      Projections: 1.14 MiB
      Projectors: 5.66 MiB

Total number of cores used: 24
Parallelization over k-points: 4
Domain decomposition: 1 x 1 x 6

Number of atoms: 74
Number of atomic orbitals: 488
Number of bands in calculation: 414
Bands to converge: occupied states only
Number of valence electrons: 682

... initialized

Initializing position-dependent things.

Density initialized from atomic densities
Creating initial wave functions:
  414 bands from LCAO basis set

                                   
                                   
                                   
                                   
             O                     
                                   
                  N  Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.454374   22.679947    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.241093   22.850857    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:58:51  +0.88   +inf  -533.737258    4      1      
iter:   2  09:00:52  -0.12  -1.03  -490.169149    35     1      
iter:   3  09:02:55  +0.04  -1.12  -620.317074    3      1      
iter:   4  09:04:58  -0.17  -1.02  -430.765627    35     1      
iter:   5  09:07:01  -0.56  -1.37  -416.386240    35     1      
iter:   6  09:09:05  -1.43  -1.44  -416.033793    4      1      
iter:   7  09:11:08  -1.71  -1.46  -414.859481    3      1      
iter:   8  09:13:10  -1.76  -1.49  -411.485055    4      1      
iter:   9  09:15:13  -1.90  -1.58  -411.853157    4      1      
iter:  10  09:17:16  -2.09  -1.62  -411.107589    4      1      
iter:  11  09:19:20  -1.97  -1.65  -410.400094    4      1      
iter:  12  09:21:22  -2.01  -1.81  -409.515700    3      1      
iter:  13  09:23:24  -2.25  -2.02  -409.467748    4      1      
iter:  14  09:25:26  -2.42  -2.14  -409.398038    4      1      
iter:  15  09:27:29  -2.44  -2.32  -409.616289    4      1      
iter:  16  09:29:31  -2.73  -2.20  -409.378083    3      1      
iter:  17  09:31:34  -2.95  -2.40  -409.289481    3      1      
iter:  18  09:33:36  -3.02  -2.49  -409.256104    3      1      
iter:  19  09:35:39  -3.46  -2.59  -409.226857    3      1      
iter:  20  09:37:43  -3.47  -2.74  -409.232702    3      1      
iter:  21  09:39:47  -3.84  -2.89  -409.223552    3      1      
iter:  22  09:41:51  -3.98  -2.95  -409.223261    3      1      
iter:  23  09:43:53  -4.31  -3.16  -409.218717    3      1      
iter:  24  09:45:56  -4.42  -3.27  -409.217513    2      1      
iter:  25  09:47:57  -4.62  -3.40  -409.216381    2      1      
iter:  26  09:50:00  -5.20  -3.51  -409.217707    3      1      
iter:  27  09:52:02  -5.20  -3.48  -409.217244    2      1      
iter:  28  09:54:03  -5.45  -3.63  -409.216769    2      1      
iter:  29  09:56:06  -5.42  -3.71  -409.218033    3      1      
iter:  30  09:58:08  -5.63  -3.80  -409.217393    2      1      
iter:  31  10:00:11  -5.78  -3.90  -409.217259    2      1      
iter:  32  10:02:14  -5.95  -4.28  -409.217298    2      1      
iter:  33  10:04:17  -6.44  -4.33  -409.217269    2      1      
iter:  34  10:06:20  -6.64  -4.50  -409.217268    2      1      
iter:  35  10:08:22  -7.08  -4.48  -409.217301    2      1      
iter:  36  10:10:25  -7.10  -4.64  -409.217162    2      1      
iter:  37  10:12:28  -7.35  -4.68  -409.217288    2      1      
iter:  38  10:14:31  -7.54  -4.79  -409.217279    2      1      

Converged after 38 iterations.

Dipole moment: (-55.964746, -32.506343, -0.077625) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +57.400679
Potential:     -165.054547
External:        +0.000000
XC:            -311.166163
Entropy (-ST):   -1.547640
Local:          +10.376572
--------------------------
Free energy:   -409.991099
Extrapolated:  -409.217279

Fermi level: -6.60184

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.65745    0.14123
  0   340     -6.65477    0.13984
  0   341     -6.64926    0.13697
  0   342     -6.59190    0.10559

  1   339     -6.57836    0.19625
  1   340     -6.53278    0.14840
  1   341     -6.49559    0.11415
  1   342     -6.49302    0.11198



Forces in eV/Ang:
  0 O     0.00000   -0.01921    1.18188
  1 Pt    0.00000   -0.00451   -0.39218
  2 Pt    0.00000   -0.01975   -0.43952
  3 O    -1.68062    0.00012   -0.71765
  4 O     1.68062    0.00012   -0.71765
  5 O     0.00000   -0.01954   -1.36823
  6 O     0.00000   -0.00040    1.76745
  7 Pt   -0.00000    0.01313    0.44703
  8 Pt    0.00000   -0.00245    0.70478
  9 O    -1.58211    0.00077    0.05823
 10 O     1.58211    0.00077    0.05823
 11 O     0.00000   -0.00831   -0.55305
 12 O    -0.00000    0.20182    0.29184
 13 Pt   -0.00000    0.37329    0.09113
 14 Pt    0.00000   -0.02350    0.00601
 15 O     0.01536    0.00904    0.00232
 16 O    -0.01536    0.00904    0.00232
 17 O     0.00000   -0.20119   -1.17934
 18 O    -0.00000    0.01586    0.02112
 19 Pt   -0.00000    0.00473    0.15071
 20 Pt    0.00000   -0.66698    0.09411
 21 O    -0.18366    0.36891    0.26533
 22 O     0.18366    0.36891    0.26533
 23 O     0.00000   -0.04457   -0.11591
 24 O     0.00000   -0.00070    1.15290
 25 Pt   -0.00000    0.03761   -0.38885
 26 Pt    0.00000   -0.00014   -0.43943
 27 O    -1.69030    0.01281   -0.71588
 28 O     1.69030    0.01281   -0.71588
 29 O    -0.00000    0.04272   -1.42341
 30 O     0.00000   -0.00581    1.83503
 31 Pt   -0.00000    0.01551    0.51569
 32 Pt    0.00000   -0.12766    0.65896
 33 O    -1.60877   -0.01633    0.06013
 34 O     1.60877   -0.01633    0.06013
 35 O     0.00000   -0.03101   -0.51277
 36 O    -0.00000    0.24033   -0.29614
 37 Pt    0.00000   -0.36325   -0.04080
 38 Pt   -0.00000    0.00176   -0.00969
 39 O     0.01139    0.01526    0.00476
 40 O    -0.01139    0.01526    0.00476
 41 O    -0.00000    0.54524   -0.14243
 42 O    -0.00000    0.05618   -0.05341
 43 Pt    0.00000   -0.10896    0.15470
 44 Pt   -0.00000    3.38759  -10.77813
 45 O     1.52164   -1.01404   -2.66015
 46 O    -1.52164   -1.01404   -2.66015
 47 O     0.00000   -0.02137   -0.08878
 48 O    -0.00000    0.02291    1.17814
 49 Pt    0.00000   -0.03916   -0.38542
 50 Pt   -0.00000    0.02178   -0.43768
 51 O    -1.69053   -0.01322   -0.71715
 52 O     1.69053   -0.01322   -0.71715
 53 O     0.00000   -0.00642   -1.39138
 54 O     0.00000   -0.00238    1.77113
 55 Pt    0.00000   -0.00918    0.52049
 56 Pt   -0.00000    0.08871    0.63917
 57 O    -1.61096    0.01015    0.08259
 58 O     1.61096    0.01015    0.08259
 59 O     0.00000   -0.02272   -0.50922
 60 O     0.00000   -0.35661   -0.08934
 61 Pt    0.00000   -0.11556   -0.02538
 62 Pt   -0.00000    0.01694    0.00380
 63 O    -0.02178   -0.01275   -0.00810
 64 O     0.02178   -0.01275   -0.00810
 65 O     0.00000    0.01066    0.05729
 66 O     0.00000   -0.02598   -0.00076
 67 Pt   -0.00000    0.00952   -0.05004
 68 Pt   -0.00000    0.32633   -0.08342
 69 O     0.33687    0.47456   -0.26537
 70 O    -0.33687    0.47456   -0.26537
 71 O     0.00000    0.00090   -0.05650
 72 N     0.00000   -7.94788   13.03660
 73 N    -0.00000    4.99135    4.40796

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
             O                     
                                   
                  N  Pt            
          O Pt   ON    O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.443562   22.714721    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.280538   22.857498    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:33:05  -2.03   +inf  -412.047554    35     1      
iter:   2  10:35:08  -1.66  -1.99  -440.315849    34     1      
iter:   3  10:37:11  -2.05  -1.41  -410.502652    36     1      
iter:   4  10:39:13  -2.74  -2.22  -410.193243    4      1      
iter:   5  10:41:15  -3.27  -2.48  -410.008900    4      1      
iter:   6  10:43:19  -3.16  -2.75  -409.902000    3      1      
iter:   7  10:45:21  -3.44  -3.02  -409.905721    3      1      
iter:   8  10:47:25  -3.46  -2.84  -409.895030    2      1      
iter:   9  10:49:28  -3.78  -2.90  -409.869928    3      1      
iter:  10  10:51:31  -4.07  -3.36  -409.872922    2      1      
iter:  11  10:53:36  -4.26  -3.24  -409.865657    3      1      
iter:  12  10:55:39  -4.20  -3.37  -409.865809    3      1      
iter:  13  10:57:42  -4.31  -3.57  -409.864394    3      1      
iter:  14  10:59:45  -4.69  -3.44  -409.862430    3      1      
iter:  15  11:01:47  -5.06  -3.83  -409.862652    2      1      
iter:  16  11:03:49  -5.38  -4.05  -409.862365    2      1      
iter:  17  11:05:51  -5.73  -3.98  -409.863036    2      1      
iter:  18  11:07:49  -6.07  -4.16  -409.862613    3      1      
iter:  19  11:09:44  -6.35  -4.21  -409.862846    2      1      
iter:  20  11:11:40  -6.32  -4.33  -409.862902    2      1      
iter:  21  11:13:35  -6.30  -4.13  -409.862690    2      1      
iter:  22  11:15:31  -6.61  -4.52  -409.862743    2      1      
iter:  23  11:17:27  -6.77  -4.53  -409.862577    2      1      
iter:  24  11:19:22  -6.92  -4.69  -409.862723    2      1      
iter:  25  11:21:18  -7.62  -4.72  -409.862630    2      1      

Converged after 25 iterations.

Dipole moment: (-55.964137, -32.519373, -0.022313) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +57.653807
Potential:     -165.234704
External:        +0.000000
XC:            -311.904618
Entropy (-ST):   -1.543908
Local:          +10.394840
--------------------------
Free energy:   -410.634584
Extrapolated:  -409.862630

Fermi level: -6.55519

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61087    0.14127
  0   340     -6.60835    0.13996
  0   341     -6.60011    0.13565
  0   342     -6.54788    0.10705

  1   339     -6.53216    0.19674
  1   340     -6.48559    0.14786
  1   341     -6.44952    0.11463
  1   342     -6.44404    0.11004



Forces in eV/Ang:
  0 O     0.00000   -0.01950    1.18239
  1 Pt    0.00000   -0.00398   -0.39211
  2 Pt    0.00000   -0.01970   -0.43749
  3 O    -1.68114    0.00010   -0.71828
  4 O     1.68114    0.00010   -0.71828
  5 O     0.00000   -0.02008   -1.37103
  6 O     0.00000   -0.00064    1.77012
  7 Pt   -0.00000    0.01286    0.44774
  8 Pt    0.00000   -0.00099    0.70910
  9 O    -1.58218    0.00053    0.05896
 10 O     1.58218    0.00053    0.05896
 11 O     0.00000   -0.00812   -0.55422
 12 O    -0.00000    0.20526    0.28050
 13 Pt   -0.00000    0.35351    0.09576
 14 Pt    0.00000   -0.02062    0.00738
 15 O     0.01609    0.00876    0.00249
 16 O    -0.01609    0.00876    0.00249
 17 O     0.00000   -0.16864   -1.14144
 18 O    -0.00000    0.01247    0.02124
 19 Pt    0.00000   -0.00158    0.13277
 20 Pt    0.00000   -0.74770   -0.02254
 21 O    -0.18923    0.37047    0.27302
 22 O     0.18923    0.37047    0.27302
 23 O     0.00000   -0.03897   -0.10185
 24 O     0.00000   -0.00056    1.15353
 25 Pt   -0.00000    0.03778   -0.38868
 26 Pt    0.00000   -0.00014   -0.43786
 27 O    -1.69100    0.01285   -0.71662
 28 O     1.69100    0.01285   -0.71662
 29 O    -0.00000    0.04238   -1.42615
 30 O     0.00000   -0.00582    1.83789
 31 Pt   -0.00000    0.01574    0.51628
 32 Pt    0.00000   -0.12703    0.66466
 33 O    -1.60978   -0.01630    0.06083
 34 O     1.60978   -0.01630    0.06083
 35 O     0.00000   -0.03164   -0.51314
 36 O    -0.00000    0.24435   -0.30278
 37 Pt    0.00000   -0.39840   -0.01219
 38 Pt   -0.00000    0.00027   -0.00694
 39 O     0.01149    0.01463    0.00462
 40 O    -0.01149    0.01463    0.00462
 41 O    -0.00000    0.52943    0.02178
 42 O    -0.00000    0.05379   -0.05001
 43 Pt    0.00000   -0.08483    0.14735
 44 Pt   -0.00000    3.04564   -9.16801
 45 O     1.41288   -0.99886   -2.55528
 46 O    -1.41288   -0.99886   -2.55528
 47 O     0.00000   -0.02343   -0.06713
 48 O    -0.00000    0.02304    1.17890
 49 Pt    0.00000   -0.03972   -0.38544
 50 Pt   -0.00000    0.02172   -0.43667
 51 O    -1.69112   -0.01325   -0.71775
 52 O     1.69112   -0.01325   -0.71775
 53 O     0.00000   -0.00576   -1.39223
 54 O     0.00000   -0.00221    1.77502
 55 Pt    0.00000   -0.00907    0.52127
 56 Pt   -0.00000    0.08692    0.63603
 57 O    -1.61134    0.01027    0.08302
 58 O     1.61134    0.01027    0.08302
 59 O     0.00000   -0.02233   -0.50998
 60 O     0.00000   -0.36465   -0.08307
 61 Pt    0.00000   -0.06663   -0.01520
 62 Pt   -0.00000    0.01574    0.00254
 63 O    -0.02099   -0.01197   -0.00749
 64 O     0.02099   -0.01197   -0.00749
 65 O     0.00000    0.01137    0.05370
 66 O     0.00000   -0.02630    0.00163
 67 Pt   -0.00000    0.00837   -0.07386
 68 Pt   -0.00000    0.31188   -0.09627
 69 O     0.32670    0.46299   -0.24797
 70 O    -0.32670    0.46299   -0.24797
 71 O     0.00000    0.00225   -0.05142
 72 N     0.00000   -4.40374   10.24761
 73 N    -0.00000    1.82650    5.23427

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
             O                     
                                   
                  N  Pt            
          O Pt   ON    O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.454455   22.753209    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.311143   22.881341    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:25:55  -2.25   +inf  -410.630086    4      1      
iter:   2  11:27:56  -2.53  -2.44  -414.514990    4      1      
iter:   3  11:30:01  -2.88  -1.85  -410.473348    4      1      
iter:   4  11:32:05  -3.46  -2.55  -410.390284    4      1      
iter:   5  11:34:09  -4.04  -3.03  -410.368930    3      1      
iter:   6  11:36:14  -3.68  -3.13  -410.347014    3      1      
iter:   7  11:38:16  -4.32  -3.22  -410.350041    3      1      
iter:   8  11:40:19  -4.14  -3.16  -410.346173    3      1      
iter:   9  11:42:21  -4.41  -3.36  -410.341998    3      1      
iter:  10  11:44:24  -4.67  -3.69  -410.344577    3      1      
iter:  11  11:46:29  -4.82  -3.48  -410.341049    3      1      
iter:  12  11:48:33  -4.76  -3.50  -410.340650    3      1      
iter:  13  11:50:35  -4.93  -3.85  -410.339938    2      1      
iter:  14  11:52:36  -5.27  -4.16  -410.340234    2      1      
iter:  15  11:54:39  -5.45  -3.94  -410.339697    3      1      
iter:  16  11:56:41  -5.82  -4.33  -410.339663    2      1      
iter:  17  11:58:41  -5.90  -4.25  -410.340289    3      1      
iter:  18  12:00:34  -6.35  -4.18  -410.339741    2      1      
iter:  19  12:02:29  -6.60  -4.69  -410.339852    2      1      
iter:  20  12:04:23  -6.63  -4.77  -410.339764    2      1      
iter:  21  12:06:19  -7.16  -4.51  -410.339871    2      1      
iter:  22  12:08:13  -7.25  -4.94  -410.339851    2      1      
iter:  23  12:10:08  -7.49  -4.91  -410.339787    2      1      

Converged after 23 iterations.

Dipole moment: (-55.963736, -32.524740, 0.006105) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +55.201583
Potential:     -163.364872
External:        +0.000000
XC:            -311.817403
Entropy (-ST):   -1.542894
Local:          +10.412353
--------------------------
Free energy:   -411.111234
Extrapolated:  -410.339787

Fermi level: -6.53122

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58706    0.14135
  0   340     -6.58465    0.14010
  0   341     -6.57582    0.13548
  0   342     -6.52481    0.10755

  1   339     -6.50826    0.19682
  1   340     -6.46137    0.14761
  1   341     -6.42532    0.11444
  1   342     -6.41986    0.10987



Forces in eV/Ang:
  0 O     0.00000   -0.01955    1.18196
  1 Pt    0.00000   -0.00387   -0.39202
  2 Pt    0.00000   -0.01969   -0.43736
  3 O    -1.68043    0.00009   -0.71841
  4 O     1.68043    0.00009   -0.71841
  5 O     0.00000   -0.02033   -1.37209
  6 O     0.00000   -0.00069    1.77173
  7 Pt   -0.00000    0.01285    0.44837
  8 Pt    0.00000   -0.00067    0.71171
  9 O    -1.58196    0.00042    0.05938
 10 O     1.58196    0.00042    0.05938
 11 O     0.00000   -0.00788   -0.55444
 12 O    -0.00000    0.20305    0.27189
 13 Pt   -0.00000    0.34659    0.09672
 14 Pt    0.00000   -0.01941    0.00909
 15 O     0.01615    0.00848    0.00247
 16 O    -0.01615    0.00848    0.00247
 17 O     0.00000   -0.14088   -1.13227
 18 O    -0.00000    0.01169    0.02129
 19 Pt    0.00000   -0.00499    0.12568
 20 Pt    0.00000   -0.74929   -0.03368
 21 O    -0.19352    0.37448    0.27740
 22 O     0.19352    0.37448    0.27740
 23 O     0.00000   -0.03665   -0.09579
 24 O     0.00000   -0.00055    1.15323
 25 Pt   -0.00000    0.03768   -0.38872
 26 Pt    0.00000   -0.00014   -0.43780
 27 O    -1.69034    0.01284   -0.71684
 28 O     1.69034    0.01284   -0.71684
 29 O    -0.00000    0.04230   -1.42651
 30 O     0.00000   -0.00573    1.83970
 31 Pt   -0.00000    0.01581    0.51671
 32 Pt    0.00000   -0.12713    0.66600
 33 O    -1.61024   -0.01635    0.06124
 34 O     1.61024   -0.01635    0.06124
 35 O     0.00000   -0.03206   -0.51329
 36 O    -0.00000    0.24639   -0.30445
 37 Pt    0.00000   -0.41814    0.00867
 38 Pt    0.00000   -0.00084   -0.00435
 39 O     0.01127    0.01422    0.00454
 40 O    -0.01127    0.01422    0.00454
 41 O    -0.00000    0.48615    0.13822
 42 O    -0.00000    0.05277   -0.04844
 43 Pt    0.00000   -0.07051    0.14995
 44 Pt   -0.00000    2.63536   -7.82802
 45 O     1.23751   -0.96654   -2.34338
 46 O    -1.23751   -0.96654   -2.34338
 47 O     0.00000   -0.02310   -0.05958
 48 O    -0.00000    0.02323    1.17863
 49 Pt    0.00000   -0.03990   -0.38549
 50 Pt   -0.00000    0.02170   -0.43710
 51 O    -1.69031   -0.01325   -0.71787
 52 O     1.69031   -0.01325   -0.71787
 53 O     0.00000   -0.00502   -1.39275
 54 O     0.00000   -0.00232    1.77719
 55 Pt    0.00000   -0.00893    0.52181
 56 Pt   -0.00000    0.08505    0.63402
 57 O    -1.61135    0.01040    0.08323
 58 O     1.61135    0.01040    0.08323
 59 O     0.00000   -0.02223   -0.51024
 60 O     0.00000   -0.37252   -0.07951
 61 Pt    0.00000   -0.03055   -0.01043
 62 Pt   -0.00000    0.01525    0.00265
 63 O    -0.02076   -0.01091   -0.00727
 64 O     0.02076   -0.01091   -0.00727
 65 O     0.00000    0.01181    0.05598
 66 O     0.00000   -0.02746    0.00232
 67 Pt   -0.00000    0.01059   -0.09162
 68 Pt   -0.00000    0.29817   -0.09939
 69 O     0.31713    0.45626   -0.24645
 70 O    -0.31713    0.45626   -0.24645
 71 O     0.00000    0.00363   -0.04803
 72 N     0.00000   -2.38009    8.20072
 73 N    -0.00000    0.12951    5.33451

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
             O                     
                                   
                  N  Pt            
          O Pt   ON    O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.472870   22.788718    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.334229   22.911012    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:14:41  -2.34   +inf  -410.775982    3      1      
iter:   2  12:16:44  -3.07  -2.81  -411.645861    3      1      
iter:   3  12:18:47  -3.60  -2.12  -410.743140    3      1      
iter:   4  12:20:50  -3.99  -2.98  -410.736234    3      1      
iter:   5  12:22:53  -4.07  -3.34  -410.726525    3      1      
iter:   6  12:24:57  -4.15  -3.32  -410.727530    2      1      
iter:   7  12:26:59  -4.40  -3.49  -410.725866    3      1      
iter:   8  12:29:03  -4.58  -3.49  -410.724915    3      1      
iter:   9  12:31:06  -5.18  -3.45  -410.724643    2      1      
iter:  10  12:33:10  -5.02  -3.79  -410.723551    3      1      
iter:  11  12:35:14  -5.18  -3.66  -410.723429    2      1      
iter:  12  12:37:18  -5.49  -4.14  -410.722939    2      1      
iter:  13  12:39:20  -6.17  -4.19  -410.723279    2      1      
iter:  14  12:41:22  -6.24  -4.36  -410.723024    2      1      
iter:  15  12:43:26  -6.05  -4.33  -410.722971    2      1      
iter:  16  12:45:28  -6.64  -4.21  -410.723306    2      1      
iter:  17  12:47:32  -6.67  -4.28  -410.723076    2      1      
iter:  18  12:49:35  -6.80  -4.78  -410.723141    2      1      
iter:  19  12:51:37  -7.14  -4.83  -410.723001    2      1      
iter:  20  12:53:33  -7.35  -4.83  -410.723110    2      1      
iter:  21  12:55:28  -7.45  -4.98  -410.723099    2      1      

Converged after 21 iterations.

Dipole moment: (-55.963377, -32.526198, 0.019913) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +51.472526
Potential:     -160.491260
External:        +0.000000
XC:            -311.362227
Entropy (-ST):   -1.543182
Local:          +10.429453
--------------------------
Free energy:   -411.494690
Extrapolated:  -410.723099

Fermi level: -6.52001

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57560    0.14122
  0   340     -6.57327    0.14002
  0   341     -6.56507    0.13573
  0   342     -6.51375    0.10763

  1   339     -6.49685    0.19660
  1   340     -6.44973    0.14720
  1   341     -6.41374    0.11413
  1   342     -6.40912    0.11026



Forces in eV/Ang:
  0 O     0.00000   -0.01948    1.18187
  1 Pt    0.00000   -0.00394   -0.39178
  2 Pt    0.00000   -0.01968   -0.43715
  3 O    -1.68179    0.00009   -0.71839
  4 O     1.68179    0.00009   -0.71839
  5 O     0.00000   -0.02038   -1.37220
  6 O     0.00000   -0.00060    1.76712
  7 Pt   -0.00000    0.01281    0.44694
  8 Pt    0.00000   -0.00080    0.71178
  9 O    -1.58202    0.00034    0.05929
 10 O     1.58202    0.00034    0.05929
 11 O     0.00000   -0.00766   -0.55484
 12 O    -0.00000    0.19975    0.26558
 13 Pt   -0.00000    0.34474    0.09427
 14 Pt    0.00000   -0.01869    0.00867
 15 O     0.01593    0.00813    0.00235
 16 O    -0.01593    0.00813    0.00235
 17 O     0.00000   -0.11998   -1.13923
 18 O    -0.00000    0.01249    0.02293
 19 Pt    0.00000   -0.00721    0.12214
 20 Pt    0.00000   -0.71211   -0.00708
 21 O    -0.19597    0.37700    0.27915
 22 O     0.19597    0.37700    0.27915
 23 O     0.00000   -0.03436   -0.09312
 24 O     0.00000   -0.00062    1.15329
 25 Pt   -0.00000    0.03744   -0.38872
 26 Pt    0.00000   -0.00014   -0.43752
 27 O    -1.69168    0.01282   -0.71690
 28 O     1.69168    0.01282   -0.71690
 29 O    -0.00000    0.04241   -1.42580
 30 O     0.00000   -0.00576    1.83508
 31 Pt   -0.00000    0.01573    0.51494
 32 Pt    0.00000   -0.12779    0.66383
 33 O    -1.61082   -0.01650    0.06129
 34 O     1.61082   -0.01650    0.06129
 35 O     0.00000   -0.03235   -0.51398
 36 O    -0.00000    0.24694   -0.30288
 37 Pt    0.00000   -0.42803    0.02134
 38 Pt    0.00000   -0.00173   -0.00382
 39 O     0.01112    0.01404    0.00423
 40 O    -0.01112    0.01404    0.00423
 41 O    -0.00000    0.43719    0.21546
 42 O    -0.00000    0.05215   -0.04637
 43 Pt    0.00000   -0.06198    0.15501
 44 Pt   -0.00000    2.27402   -6.76980
 45 O     1.06953   -0.93221   -2.12163
 46 O    -1.06953   -0.93221   -2.12163
 47 O     0.00000   -0.02336   -0.05685
 48 O    -0.00000    0.02342    1.17867
 49 Pt    0.00000   -0.03985   -0.38547
 50 Pt   -0.00000    0.02170   -0.43718
 51 O    -1.69152   -0.01324   -0.71787
 52 O     1.69152   -0.01324   -0.71787
 53 O     0.00000   -0.00441   -1.39289
 54 O     0.00000   -0.00249    1.77288
 55 Pt    0.00000   -0.00860    0.52029
 56 Pt   -0.00000    0.08362    0.63113
 57 O    -1.61156    0.01066    0.08313
 58 O     1.61156    0.01066    0.08313
 59 O     0.00000   -0.02224   -0.51065
 60 O     0.00000   -0.37934   -0.07718
 61 Pt    0.00000   -0.00425   -0.01025
 62 Pt   -0.00000    0.01489    0.00106
 63 O    -0.02039   -0.00985   -0.00737
 64 O     0.02039   -0.00985   -0.00737
 65 O     0.00000    0.01111    0.05133
 66 O     0.00000   -0.02889    0.00399
 67 Pt   -0.00000    0.01331   -0.10428
 68 Pt   -0.00000    0.28819   -0.10124
 69 O     0.31080    0.45287   -0.24889
 70 O    -0.31080    0.45287   -0.24889
 71 O     0.00000    0.00430   -0.04653
 72 N     0.00000   -1.77014    6.87260
 73 N     0.00000   -0.10408    5.07401

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   ON    O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.491903   22.822298    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.356583   22.944183    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:00:03  -2.33   +inf  -411.080043    3      1      
iter:   2  13:02:07  -3.29  -3.17  -411.128081    2      1      
iter:   3  13:04:10  -3.84  -2.73  -411.090570    2      1      
iter:   4  13:06:14  -4.03  -2.92  -411.068916    3      1      
iter:   5  13:08:16  -4.26  -3.37  -411.073639    3      1      
iter:   6  13:10:19  -4.36  -3.40  -411.066962    3      1      
iter:   7  13:12:23  -4.47  -3.53  -411.067028    2      1      
iter:   8  13:14:26  -4.60  -3.82  -411.065496    3      1      
iter:   9  13:16:30  -4.89  -4.07  -411.065359    2      1      
iter:  10  13:18:33  -5.31  -3.97  -411.066579    3      1      
iter:  11  13:20:35  -5.56  -3.69  -411.065126    2      1      
iter:  12  13:22:36  -6.20  -4.23  -411.065617    2      1      
iter:  13  13:24:36  -6.30  -4.26  -411.065159    2      1      
iter:  14  13:26:31  -6.29  -4.26  -411.065409    2      1      
iter:  15  13:28:26  -6.31  -4.33  -411.065313    2      1      
iter:  16  13:30:20  -6.47  -4.53  -411.065228    2      1      
iter:  17  13:32:15  -6.99  -4.66  -411.065329    2      1      
iter:  18  13:34:09  -7.06  -4.73  -411.065234    2      1      
iter:  19  13:36:03  -7.17  -5.00  -411.065326    2      1      
iter:  20  13:37:57  -7.70  -5.13  -411.065276    2      1      

Converged after 20 iterations.

Dipole moment: (-55.962957, -32.526582, 0.031539) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +47.747761
Potential:     -157.601666
External:        +0.000000
XC:            -310.884268
Entropy (-ST):   -1.544023
Local:          +10.444908
--------------------------
Free energy:   -411.837287
Extrapolated:  -411.065276

Fermi level: -6.51009

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56577    0.14127
  0   340     -6.56349    0.14009
  0   341     -6.55513    0.13572
  0   342     -6.50381    0.10762

  1   339     -6.48692    0.19659
  1   340     -6.43964    0.14702
  1   341     -6.40329    0.11367
  1   342     -6.39983    0.11078



Forces in eV/Ang:
  0 O     0.00000   -0.01942    1.18102
  1 Pt    0.00000   -0.00402   -0.39089
  2 Pt    0.00000   -0.01965   -0.43714
  3 O    -1.68131    0.00009   -0.71850
  4 O     1.68131    0.00009   -0.71850
  5 O     0.00000   -0.02051   -1.37253
  6 O     0.00000   -0.00073    1.76863
  7 Pt   -0.00000    0.01280    0.44767
  8 Pt    0.00000   -0.00116    0.71326
  9 O    -1.58210    0.00034    0.05953
 10 O     1.58210    0.00034    0.05953
 11 O     0.00000   -0.00757   -0.55509
 12 O    -0.00000    0.19519    0.25927
 13 Pt   -0.00000    0.34341    0.09346
 14 Pt    0.00000   -0.01781    0.01004
 15 O     0.01553    0.00795    0.00248
 16 O    -0.01553    0.00795    0.00248
 17 O     0.00000   -0.10071   -1.14341
 18 O    -0.00000    0.01339    0.02361
 19 Pt    0.00000   -0.00891    0.12065
 20 Pt    0.00000   -0.66631    0.02638
 21 O    -0.19944    0.37991    0.27977
 22 O     0.19944    0.37991    0.27977
 23 O     0.00000   -0.03161   -0.08898
 24 O     0.00000   -0.00071    1.15265
 25 Pt   -0.00000    0.03710   -0.38825
 26 Pt    0.00000   -0.00014   -0.43754
 27 O    -1.69122    0.01284   -0.71711
 28 O     1.69122    0.01284   -0.71711
 29 O    -0.00000    0.04263   -1.42528
 30 O     0.00000   -0.00572    1.83650
 31 Pt   -0.00000    0.01592    0.51540
 32 Pt    0.00000   -0.12870    0.66282
 33 O    -1.61134   -0.01649    0.06164
 34 O     1.61134   -0.01649    0.06164
 35 O     0.00000   -0.03254   -0.51423
 36 O    -0.00000    0.24717   -0.30029
 37 Pt    0.00000   -0.43739    0.03440
 38 Pt    0.00000   -0.00269   -0.00184
 39 O     0.01041    0.01419    0.00468
 40 O    -0.01041    0.01419    0.00468
 41 O    -0.00000    0.38760    0.28330
 42 O    -0.00000    0.05111   -0.04570
 43 Pt    0.00000   -0.05570    0.15307
 44 Pt   -0.00000    1.97821   -5.88355
 45 O     0.93625   -0.91030   -1.92731
 46 O    -0.93625   -0.91030   -1.92731
 47 O     0.00000   -0.02461   -0.05094
 48 O    -0.00000    0.02362    1.17796
 49 Pt    0.00000   -0.03971   -0.38495
 50 Pt   -0.00000    0.02167   -0.43739
 51 O    -1.69096   -0.01327   -0.71803
 52 O     1.69096   -0.01327   -0.71803
 53 O     0.00000   -0.00383   -1.39344
 54 O     0.00000   -0.00247    1.77457
 55 Pt    0.00000   -0.00859    0.52099
 56 Pt   -0.00000    0.08273    0.63023
 57 O    -1.61171    0.01071    0.08339
 58 O     1.61171    0.01071    0.08339
 59 O     0.00000   -0.02221   -0.51073
 60 O     0.00000   -0.38306   -0.07568
 61 Pt   -0.00000    0.02127   -0.00936
 62 Pt   -0.00000    0.01449    0.00086
 63 O    -0.02053   -0.00934   -0.00672
 64 O     0.02053   -0.00934   -0.00672
 65 O     0.00000    0.01069    0.05060
 66 O     0.00000   -0.02970    0.00438
 67 Pt   -0.00000    0.01643   -0.11456
 68 Pt   -0.00000    0.28010   -0.10062
 69 O     0.30405    0.44886   -0.25321
 70 O    -0.30405    0.44886   -0.25321
 71 O    -0.00000    0.00531   -0.04361
 72 N     0.00000   -1.44472    5.67488
 73 N     0.00000   -0.25313    4.85132

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   ON    O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.507974   22.849371    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.377008   22.978575    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:42:29  -2.40   +inf  -411.355768    3      1      
iter:   2  13:44:32  -3.36  -3.31  -411.364986    3      1      
iter:   3  13:46:35  -3.91  -2.94  -411.368108    3      1      
iter:   4  13:48:38  -4.28  -2.90  -411.353131    3      1      
iter:   5  13:50:41  -4.23  -3.38  -411.345858    3      1      
iter:   6  13:52:45  -4.33  -3.42  -411.344917    3      1      
iter:   7  13:54:47  -4.60  -3.64  -411.344426    2      1      
iter:   8  13:56:52  -4.84  -3.83  -411.343407    3      1      
iter:   9  13:58:56  -5.00  -3.82  -411.343188    2      1      
iter:  10  14:00:59  -5.37  -4.33  -411.343097    2      1      
iter:  11  14:03:01  -5.91  -3.96  -411.343273    2      1      
iter:  12  14:05:04  -6.25  -4.39  -411.342946    2      1      
iter:  13  14:07:04  -6.33  -4.40  -411.343739    3      1      
iter:  14  14:09:07  -6.51  -4.35  -411.343259    2      1      
iter:  15  14:11:09  -6.69  -4.77  -411.343264    2      1      
iter:  16  14:13:06  -6.96  -4.67  -411.343206    2      1      
iter:  17  14:15:02  -7.17  -4.37  -411.343233    2      1      
iter:  18  14:16:57  -7.50  -4.89  -411.343242    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962582, -32.526035, 0.041940) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +45.026547
Potential:     -155.540626
External:        +0.000000
XC:            -310.515863
Entropy (-ST):   -1.544689
Local:          +10.459044
--------------------------
Free energy:   -412.115587
Extrapolated:  -411.343242

Fermi level: -6.50113

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55695    0.14134
  0   340     -6.55470    0.14018
  0   341     -6.54571    0.13548
  0   342     -6.49472    0.10755

  1   339     -6.47790    0.19652
  1   340     -6.43060    0.14695
  1   341     -6.39368    0.11313
  1   342     -6.39141    0.11122



Forces in eV/Ang:
  0 O     0.00000   -0.01935    1.18064
  1 Pt    0.00000   -0.00410   -0.39024
  2 Pt    0.00000   -0.01968   -0.43705
  3 O    -1.68116    0.00010   -0.71863
  4 O     1.68116    0.00010   -0.71863
  5 O     0.00000   -0.02068   -1.37304
  6 O     0.00000   -0.00080    1.76948
  7 Pt   -0.00000    0.01285    0.44771
  8 Pt    0.00000   -0.00104    0.71389
  9 O    -1.58186    0.00035    0.05948
 10 O     1.58186    0.00035    0.05948
 11 O     0.00000   -0.00751   -0.55547
 12 O    -0.00000    0.19215    0.25427
 13 Pt   -0.00000    0.34197    0.09276
 14 Pt    0.00000   -0.01699    0.01123
 15 O     0.01525    0.00772    0.00240
 16 O    -0.01525    0.00772    0.00240
 17 O     0.00000   -0.08503   -1.14738
 18 O    -0.00000    0.01436    0.02465
 19 Pt    0.00000   -0.01020    0.11974
 20 Pt    0.00000   -0.61176    0.06059
 21 O    -0.20291    0.38196    0.27840
 22 O     0.20291    0.38196    0.27840
 23 O     0.00000   -0.02921   -0.08746
 24 O     0.00000   -0.00083    1.15242
 25 Pt   -0.00000    0.03673   -0.38798
 26 Pt    0.00000   -0.00015   -0.43742
 27 O    -1.69103    0.01280   -0.71727
 28 O     1.69103    0.01280   -0.71727
 29 O    -0.00000    0.04288   -1.42490
 30 O     0.00000   -0.00577    1.83771
 31 Pt   -0.00000    0.01603    0.51527
 32 Pt    0.00000   -0.12988    0.66130
 33 O    -1.61153   -0.01661    0.06190
 34 O     1.61153   -0.01661    0.06190
 35 O     0.00000   -0.03274   -0.51459
 36 O    -0.00000    0.24656   -0.29706
 37 Pt    0.00000   -0.44775    0.04251
 38 Pt    0.00000   -0.00361   -0.00071
 39 O     0.00973    0.01417    0.00458
 40 O    -0.00973    0.01417    0.00458
 41 O    -0.00000    0.34488    0.34414
 42 O    -0.00000    0.05011   -0.04449
 43 Pt    0.00000   -0.05091    0.14309
 44 Pt   -0.00000    1.75178   -5.24254
 45 O     0.82529   -0.89697   -1.75632
 46 O    -0.82529   -0.89697   -1.75632
 47 O     0.00000   -0.02566   -0.04805
 48 O    -0.00000    0.02378    1.17767
 49 Pt    0.00000   -0.03946   -0.38468
 50 Pt   -0.00000    0.02170   -0.43748
 51 O    -1.69067   -0.01325   -0.71818
 52 O     1.69067   -0.01325   -0.71818
 53 O     0.00000   -0.00331   -1.39429
 54 O     0.00000   -0.00241    1.77555
 55 Pt    0.00000   -0.00861    0.52111
 56 Pt   -0.00000    0.08203    0.62924
 57 O    -1.61160    0.01089    0.08355
 58 O     1.61160    0.01089    0.08355
 59 O     0.00000   -0.02214   -0.51096
 60 O     0.00000   -0.38609   -0.07435
 61 Pt   -0.00000    0.04449   -0.01019
 62 Pt   -0.00000    0.01430    0.00077
 63 O    -0.02023   -0.00877   -0.00647
 64 O     0.02023   -0.00877   -0.00647
 65 O     0.00000    0.01038    0.05209
 66 O     0.00000   -0.03028    0.00466
 67 Pt   -0.00000    0.01898   -0.12330
 68 Pt   -0.00000    0.27613   -0.09812
 69 O     0.29865    0.44571   -0.25785
 70 O    -0.29865    0.44571   -0.25785
 71 O    -0.00000    0.00613   -0.04259
 72 N     0.00000   -1.08647    4.98099
 73 N     0.00000   -0.35619    4.62499

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   ON    O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.523459   22.874468    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.396293   23.013619    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:21:29  -2.43   +inf  -411.609208    3      1      
iter:   2  14:23:32  -3.26  -3.00  -411.964550    3      1      
iter:   3  14:25:36  -3.79  -2.31  -411.599368    2      1      
iter:   4  14:27:40  -4.14  -3.20  -411.594613    3      1      
iter:   5  14:29:43  -4.10  -3.58  -411.590460    3      1      
iter:   6  14:31:46  -4.43  -3.48  -411.594119    3      1      
iter:   7  14:33:50  -4.73  -3.59  -411.590728    3      1      
iter:   8  14:35:53  -4.86  -3.67  -411.590526    2      1      
iter:   9  14:37:55  -5.40  -3.72  -411.590313    2      1      
iter:  10  14:39:58  -5.36  -4.03  -411.590176    2      1      
iter:  11  14:42:00  -5.51  -3.79  -411.589903    2      1      
iter:  12  14:44:04  -5.89  -4.39  -411.589730    2      1      
iter:  13  14:46:05  -6.23  -4.47  -411.590133    2      1      
iter:  14  14:48:07  -6.41  -4.31  -411.589646    2      1      
iter:  15  14:50:10  -6.67  -4.56  -411.589874    2      1      
iter:  16  14:52:13  -7.14  -5.00  -411.589809    2      1      
iter:  17  14:54:15  -7.31  -4.93  -411.589863    2      1      
iter:  18  14:56:11  -7.73  -4.85  -411.589836    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962255, -32.525128, 0.051792) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +42.436218
Potential:     -153.564952
External:        +0.000000
XC:            -310.157459
Entropy (-ST):   -1.545648
Local:          +10.469181
--------------------------
Free energy:   -412.362660
Extrapolated:  -411.589836

Fermi level: -6.49293

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54867    0.14130
  0   340     -6.54645    0.14015
  0   341     -6.53719    0.13530
  0   342     -6.48814    0.10845

  1   339     -6.46964    0.19646
  1   340     -6.42216    0.14671
  1   341     -6.38493    0.11267
  1   342     -6.38379    0.11171



Forces in eV/Ang:
  0 O     0.00000   -0.01922    1.18003
  1 Pt    0.00000   -0.00416   -0.38940
  2 Pt    0.00000   -0.01953   -0.43683
  3 O    -1.68140    0.00012   -0.71867
  4 O     1.68140    0.00012   -0.71867
  5 O     0.00000   -0.02085   -1.37289
  6 O     0.00000   -0.00096    1.76917
  7 Pt   -0.00000    0.01277    0.44787
  8 Pt    0.00000   -0.00115    0.71414
  9 O    -1.58186    0.00032    0.05990
 10 O     1.58186    0.00032    0.05990
 11 O     0.00000   -0.00757   -0.55565
 12 O    -0.00000    0.18922    0.24970
 13 Pt   -0.00000    0.34074    0.09096
 14 Pt    0.00000   -0.01625    0.01178
 15 O     0.01482    0.00754    0.00276
 16 O    -0.01482    0.00754    0.00276
 17 O     0.00000   -0.07172   -1.15378
 18 O    -0.00000    0.01582    0.02594
 19 Pt    0.00000   -0.01175    0.11929
 20 Pt    0.00000   -0.55592    0.09610
 21 O    -0.20516    0.38343    0.27836
 22 O     0.20516    0.38343    0.27836
 23 O     0.00000   -0.02700   -0.08474
 24 O     0.00000   -0.00098    1.15203
 25 Pt   -0.00000    0.03632   -0.38759
 26 Pt    0.00000   -0.00016   -0.43733
 27 O    -1.69133    0.01288   -0.71737
 28 O     1.69133    0.01288   -0.71737
 29 O    -0.00000    0.04326   -1.42378
 30 O     0.00000   -0.00565    1.83692
 31 Pt   -0.00000    0.01620    0.51488
 32 Pt    0.00000   -0.13100    0.65910
 33 O    -1.61190   -0.01667    0.06251
 34 O     1.61190   -0.01667    0.06251
 35 O     0.00000   -0.03273   -0.51485
 36 O    -0.00000    0.24548   -0.29299
 37 Pt    0.00000   -0.45666    0.04907
 38 Pt    0.00000   -0.00443    0.00008
 39 O     0.00917    0.01421    0.00519
 40 O    -0.00917    0.01421    0.00519
 41 O    -0.00000    0.30485    0.39589
 42 O    -0.00000    0.04878   -0.04318
 43 Pt    0.00000   -0.04770    0.12949
 44 Pt   -0.00000    1.55807   -4.68656
 45 O     0.73621   -0.88857   -1.60382
 46 O    -0.73621   -0.88857   -1.60382
 47 O     0.00000   -0.02656   -0.04353
 48 O    -0.00000    0.02389    1.17716
 49 Pt    0.00000   -0.03918   -0.38421
 50 Pt   -0.00000    0.02157   -0.43728
 51 O    -1.69089   -0.01336   -0.71821
 52 O     1.69089   -0.01336   -0.71821
 53 O     0.00000   -0.00296   -1.39444
 54 O     0.00000   -0.00244    1.77550
 55 Pt    0.00000   -0.00858    0.52098
 56 Pt   -0.00000    0.08163    0.62822
 57 O    -1.61170    0.01108    0.08410
 58 O     1.61170    0.01108    0.08410
 59 O     0.00000   -0.02213   -0.51099
 60 O     0.00000   -0.38779   -0.07341
 61 Pt   -0.00000    0.06561   -0.01193
 62 Pt   -0.00000    0.01411   -0.00004
 63 O    -0.02006   -0.00833   -0.00553
 64 O     0.02006   -0.00833   -0.00553
 65 O     0.00000    0.00976    0.04759
 66 O     0.00000   -0.03079    0.00543
 67 Pt   -0.00000    0.02206   -0.13118
 68 Pt   -0.00000    0.27246   -0.09423
 69 O     0.29420    0.44235   -0.26025
 70 O    -0.29420    0.44235   -0.26025
 71 O    -0.00000    0.00688   -0.04040
 72 N     0.00000   -0.90541    4.29510
 73 N     0.00000   -0.37508    4.23181

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   ON    O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.538113   22.898199    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.414743   23.049110    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:00:44  -2.44   +inf  -411.819160    3      1      
iter:   2  15:02:46  -3.40  -3.43  -411.824885    3      1      
iter:   3  15:04:50  -4.00  -3.03  -411.817061    2      1      
iter:   4  15:06:52  -4.28  -3.43  -411.817617    2      1      
iter:   5  15:08:54  -4.26  -3.53  -411.812392    3      1      
iter:   6  15:10:56  -4.40  -3.38  -411.812995    2      1      
iter:   7  15:12:58  -4.76  -3.67  -411.812179    2      1      
iter:   8  15:15:02  -5.14  -3.87  -411.812325    2      1      
iter:   9  15:17:05  -5.30  -3.91  -411.811915    3      1      
iter:  10  15:19:09  -5.44  -3.68  -411.811032    2      1      
iter:  11  15:21:12  -5.70  -4.07  -411.811680    2      1      
iter:  12  15:23:15  -6.07  -4.15  -411.811240    2      1      
iter:  13  15:25:17  -6.34  -4.34  -411.811490    2      1      
iter:  14  15:27:21  -6.46  -4.42  -411.811347    2      1      
iter:  15  15:29:23  -6.79  -4.61  -411.811486    2      1      
iter:  16  15:31:18  -7.01  -4.61  -411.811399    2      1      
iter:  17  15:33:14  -7.19  -4.74  -411.811276    2      1      
iter:  18  15:35:11  -7.47  -4.96  -411.811377    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961936, -32.523958, 0.059887) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +40.247022
Potential:     -151.926003
External:        +0.000000
XC:            -309.834565
Entropy (-ST):   -1.546569
Local:          +10.475453
--------------------------
Free energy:   -412.584661
Extrapolated:  -411.811377

Fermi level: -6.48589

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54177    0.14137
  0   340     -6.53957    0.14024
  0   341     -6.52944    0.13493
  0   342     -6.48317    0.10960

  1   339     -6.46254    0.19640
  1   340     -6.41507    0.14667
  1   341     -6.37726    0.11215
  1   342     -6.37722    0.11211



Forces in eV/Ang:
  0 O     0.00000   -0.01912    1.17972
  1 Pt    0.00000   -0.00422   -0.38877
  2 Pt    0.00000   -0.01949   -0.43692
  3 O    -1.68090    0.00014   -0.71884
  4 O     1.68090    0.00014   -0.71884
  5 O     0.00000   -0.02105   -1.37330
  6 O     0.00000   -0.00115    1.77030
  7 Pt   -0.00000    0.01278    0.44802
  8 Pt    0.00000   -0.00124    0.71462
  9 O    -1.58169    0.00033    0.05950
 10 O     1.58169    0.00033    0.05950
 11 O     0.00000   -0.00757   -0.55606
 12 O    -0.00000    0.18601    0.24525
 13 Pt   -0.00000    0.33929    0.08990
 14 Pt    0.00000   -0.01545    0.01292
 15 O     0.01447    0.00735    0.00248
 16 O    -0.01447    0.00735    0.00248
 17 O     0.00000   -0.06111   -1.15577
 18 O    -0.00000    0.01691    0.02689
 19 Pt    0.00000   -0.01269    0.11955
 20 Pt    0.00000   -0.50084    0.12467
 21 O    -0.20815    0.38484    0.27584
 22 O     0.20815    0.38484    0.27584
 23 O     0.00000   -0.02521   -0.08383
 24 O     0.00000   -0.00111    1.15184
 25 Pt   -0.00000    0.03586   -0.38744
 26 Pt    0.00000   -0.00016   -0.43755
 27 O    -1.69086    0.01290   -0.71757
 28 O     1.69086    0.01290   -0.71757
 29 O    -0.00000    0.04360   -1.42320
 30 O     0.00000   -0.00564    1.83790
 31 Pt   -0.00000    0.01637    0.51480
 32 Pt    0.00000   -0.13228    0.65720
 33 O    -1.61203   -0.01681    0.06252
 34 O     1.61203   -0.01681    0.06252
 35 O     0.00000   -0.03279   -0.51522
 36 O    -0.00000    0.24395   -0.28852
 37 Pt    0.00000   -0.46497    0.05367
 38 Pt    0.00000   -0.00515    0.00088
 39 O     0.00837    0.01428    0.00503
 40 O    -0.00837    0.01428    0.00503
 41 O    -0.00000    0.26730    0.44567
 42 O    -0.00000    0.04764   -0.04212
 43 Pt    0.00000   -0.04529    0.11509
 44 Pt   -0.00000    1.39033   -4.21102
 45 O     0.65204   -0.87866   -1.46364
 46 O    -0.65204   -0.87866   -1.46364
 47 O     0.00000   -0.02730   -0.04146
 48 O    -0.00000    0.02399    1.17692
 49 Pt    0.00000   -0.03882   -0.38408
 50 Pt   -0.00000    0.02154   -0.43744
 51 O    -1.69034   -0.01339   -0.71839
 52 O     1.69034   -0.01339   -0.71839
 53 O     0.00000   -0.00257   -1.39521
 54 O     0.00000   -0.00230    1.77671
 55 Pt    0.00000   -0.00866    0.52118
 56 Pt   -0.00000    0.08150    0.62767
 57 O    -1.61160    0.01131    0.08406
 58 O     1.61160    0.01131    0.08406
 59 O     0.00000   -0.02213   -0.51120
 60 O     0.00000   -0.38850   -0.07269
 61 Pt   -0.00000    0.08497   -0.01380
 62 Pt   -0.00000    0.01381   -0.00004
 63 O    -0.01990   -0.00798   -0.00552
 64 O     0.01990   -0.00798   -0.00552
 65 O     0.00000    0.00958    0.04863
 66 O     0.00000   -0.03095    0.00540
 67 Pt   -0.00000    0.02444   -0.13766
 68 Pt   -0.00000    0.26997   -0.09000
 69 O     0.28923    0.43872   -0.26479
 70 O    -0.28923    0.43872   -0.26479
 71 O    -0.00000    0.00767   -0.03959
 72 N     0.00000   -0.83264    3.82273
 73 N     0.00000   -0.43822    4.05092

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   ON    O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.551488   22.920025    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.432584   23.084911    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:39:38  -2.45   +inf  -412.031133    3      1      
iter:   2  15:41:25  -3.24  -2.95  -412.482945    3      1      
iter:   3  15:43:12  -3.74  -2.26  -412.018111    2      1      
iter:   4  15:45:00  -4.17  -3.23  -412.015393    2      1      
iter:   5  15:46:47  -4.17  -3.58  -412.010114    3      1      
iter:   6  15:48:35  -4.33  -3.40  -412.012875    3      1      
iter:   7  15:50:22  -4.82  -3.63  -412.010980    3      1      
iter:   8  15:52:10  -4.96  -3.69  -412.010677    2      1      
iter:   9  15:53:58  -5.63  -3.71  -412.010714    2      1      
iter:  10  15:55:45  -5.37  -3.90  -412.010348    2      1      
iter:  11  15:57:33  -5.51  -3.79  -412.010136    2      1      
iter:  12  15:59:21  -5.86  -4.42  -412.009926    2      1      
iter:  13  16:01:08  -6.43  -4.42  -412.010570    2      1      
iter:  14  16:02:57  -6.48  -4.30  -412.009939    2      1      
iter:  15  16:04:53  -6.63  -4.64  -412.010043    2      1      
iter:  16  16:06:45  -6.99  -4.91  -412.010003    2      1      
iter:  17  16:08:36  -7.28  -5.04  -412.010051    2      1      
iter:  18  16:10:28  -8.02  -4.84  -412.010027    1      1      

Converged after 18 iterations.

Dipole moment: (-55.961691, -32.522590, 0.068543) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +38.213987
Potential:     -150.386500
External:        +0.000000
XC:            -309.546397
Entropy (-ST):   -1.547651
Local:          +10.482708
--------------------------
Free energy:   -412.783853
Extrapolated:  -412.010027

Fermi level: -6.47863

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53441    0.14132
  0   340     -6.53223    0.14019
  0   341     -6.52165    0.13465
  0   342     -6.47805    0.11079

  1   339     -6.45529    0.19640
  1   340     -6.40758    0.14644
  1   341     -6.37052    0.11258
  1   342     -6.36942    0.11165



Forces in eV/Ang:
  0 O     0.00000   -0.01902    1.17918
  1 Pt    0.00000   -0.00426   -0.38761
  2 Pt    0.00000   -0.01944   -0.43627
  3 O    -1.68134    0.00016   -0.71873
  4 O     1.68134    0.00016   -0.71873
  5 O     0.00000   -0.02118   -1.37307
  6 O     0.00000   -0.00119    1.77018
  7 Pt   -0.00000    0.01280    0.44839
  8 Pt    0.00000   -0.00121    0.71505
  9 O    -1.58172    0.00035    0.06000
 10 O     1.58172    0.00035    0.06000
 11 O     0.00000   -0.00763   -0.55612
 12 O    -0.00000    0.18297    0.24121
 13 Pt   -0.00000    0.33787    0.08674
 14 Pt    0.00000   -0.01516    0.01286
 15 O     0.01382    0.00730    0.00274
 16 O    -0.01382    0.00730    0.00274
 17 O     0.00000   -0.05177   -1.16339
 18 O    -0.00000    0.01833    0.02836
 19 Pt    0.00000   -0.01385    0.11942
 20 Pt    0.00000   -0.44630    0.15420
 21 O    -0.20905    0.38528    0.27528
 22 O     0.20905    0.38528    0.27528
 23 O     0.00000   -0.02338   -0.08201
 24 O     0.00000   -0.00124    1.15154
 25 Pt   -0.00000    0.03537   -0.38663
 26 Pt    0.00000   -0.00017   -0.43689
 27 O    -1.69127    0.01292   -0.71749
 28 O     1.69127    0.01292   -0.71749
 29 O    -0.00000    0.04397   -1.42175
 30 O     0.00000   -0.00556    1.83788
 31 Pt   -0.00000    0.01652    0.51466
 32 Pt    0.00000   -0.13354    0.65466
 33 O    -1.61247   -0.01690    0.06335
 34 O     1.61247   -0.01690    0.06335
 35 O     0.00000   -0.03281   -0.51539
 36 O    -0.00000    0.24252   -0.28325
 37 Pt    0.00000   -0.47197    0.05636
 38 Pt    0.00000   -0.00581    0.00065
 39 O     0.00800    0.01417    0.00549
 40 O    -0.00800    0.01417    0.00549
 41 O    -0.00000    0.23307    0.48663
 42 O    -0.00000    0.04666   -0.04066
 43 Pt    0.00000   -0.04416    0.09920
 44 Pt   -0.00000    1.24548   -3.80379
 45 O     0.58416   -0.87321   -1.33882
 46 O    -0.58416   -0.87321   -1.33882
 47 O     0.00000   -0.02811   -0.03769
 48 O    -0.00000    0.02408    1.17646
 49 Pt    0.00000   -0.03844   -0.38326
 50 Pt   -0.00000    0.02150   -0.43682
 51 O    -1.69068   -0.01343   -0.71828
 52 O     1.69068   -0.01343   -0.71828
 53 O     0.00000   -0.00233   -1.39532
 54 O     0.00000   -0.00240    1.77672
 55 Pt    0.00000   -0.00876    0.52118
 56 Pt   -0.00000    0.08144    0.62733
 57 O    -1.61183    0.01149    0.08480
 58 O     1.61183    0.01149    0.08480
 59 O     0.00000   -0.02209   -0.51112
 60 O     0.00000   -0.38814   -0.07232
 61 Pt   -0.00000    0.10245   -0.01692
 62 Pt   -0.00000    0.01399   -0.00101
 63 O    -0.01943   -0.00763   -0.00470
 64 O     0.01943   -0.00763   -0.00470
 65 O     0.00000    0.00908    0.04262
 66 O     0.00000   -0.03151    0.00616
 67 Pt   -0.00000    0.02764   -0.14391
 68 Pt   -0.00000    0.26685   -0.08501
 69 O     0.28500    0.43478   -0.26637
 70 O    -0.28500    0.43478   -0.26637
 71 O    -0.00000    0.00824   -0.03813
 72 N     0.00000   -0.75454    3.38082
 73 N     0.00000   -0.47232    3.84448

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   ON    O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.563619   22.940140    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.449657   23.121084    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:14:55  -2.48   +inf  -412.199124    3      1      
iter:   2  16:16:53  -3.42  -3.39  -412.196022    3      1      
iter:   3  16:18:51  -3.98  -3.20  -412.203163    3      1      
iter:   4  16:20:49  -4.36  -3.09  -412.199171    3      1      
iter:   5  16:22:47  -4.28  -3.34  -412.193184    3      1      
iter:   6  16:24:45  -4.38  -3.42  -412.191964    3      1      
iter:   7  16:26:44  -4.74  -3.79  -412.191788    2      1      
iter:   8  16:28:42  -5.04  -3.93  -412.191675    3      1      
iter:   9  16:30:40  -5.18  -3.81  -412.191761    2      1      
iter:  10  16:32:38  -5.65  -3.84  -412.190731    2      1      
iter:  11  16:34:36  -6.12  -4.25  -412.191310    2      1      
iter:  12  16:36:33  -6.39  -4.30  -412.191047    2      1      
iter:  13  16:38:31  -6.59  -4.40  -412.191161    2      1      
iter:  14  16:40:27  -6.53  -4.52  -412.191118    2      1      
iter:  15  16:42:23  -6.68  -4.64  -412.191000    2      1      
iter:  16  16:44:14  -7.35  -4.47  -412.191174    2      1      
iter:  17  16:46:05  -7.51  -4.73  -412.191002    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961457, -32.520930, 0.076021) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +36.568999
Potential:     -149.169690
External:        +0.000000
XC:            -309.298558
Entropy (-ST):   -1.548674
Local:          +10.482583
--------------------------
Free energy:   -412.965339
Extrapolated:  -412.191002

Fermi level: -6.47224

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52797    0.14129
  0   340     -6.52579    0.14017
  0   341     -6.51464    0.13432
  0   342     -6.47351    0.11181

  1   339     -6.44892    0.19643
  1   340     -6.40103    0.14627
  1   341     -6.36457    0.11294
  1   342     -6.36249    0.11120



Forces in eV/Ang:
  0 O     0.00000   -0.01894    1.17902
  1 Pt    0.00000   -0.00429   -0.38680
  2 Pt    0.00000   -0.01943   -0.43626
  3 O    -1.68129    0.00018   -0.71880
  4 O     1.68129    0.00018   -0.71880
  5 O     0.00000   -0.02139   -1.37327
  6 O     0.00000   -0.00135    1.76896
  7 Pt   -0.00000    0.01282    0.44805
  8 Pt    0.00000   -0.00122    0.71530
  9 O    -1.58192    0.00039    0.05954
 10 O     1.58192    0.00039    0.05954
 11 O     0.00000   -0.00767   -0.55679
 12 O    -0.00000    0.18025    0.23750
 13 Pt   -0.00000    0.33639    0.08379
 14 Pt    0.00000   -0.01469    0.01281
 15 O     0.01358    0.00721    0.00247
 16 O    -0.01358    0.00721    0.00247
 17 O     0.00000   -0.04448   -1.16909
 18 O    -0.00000    0.01907    0.02948
 19 Pt    0.00000   -0.01432    0.11962
 20 Pt    0.00000   -0.39680    0.17557
 21 O    -0.21060    0.38604    0.27265
 22 O     0.21060    0.38604    0.27265
 23 O     0.00000   -0.02238   -0.08110
 24 O     0.00000   -0.00136    1.15149
 25 Pt   -0.00000    0.03486   -0.38621
 26 Pt    0.00000   -0.00017   -0.43703
 27 O    -1.69120    0.01290   -0.71756
 28 O     1.69120    0.01290   -0.71756
 29 O    -0.00000    0.04432   -1.42068
 30 O     0.00000   -0.00556    1.83693
 31 Pt   -0.00000    0.01679    0.51414
 32 Pt    0.00000   -0.13481    0.65241
 33 O    -1.61296   -0.01693    0.06336
 34 O     1.61296   -0.01693    0.06336
 35 O     0.00000   -0.03282   -0.51588
 36 O    -0.00000    0.24062   -0.27826
 37 Pt    0.00000   -0.47908    0.05689
 38 Pt    0.00000   -0.00624   -0.00020
 39 O     0.00745    0.01424    0.00539
 40 O    -0.00745    0.01424    0.00539
 41 O    -0.00000    0.20166    0.52762
 42 O    -0.00000    0.04582   -0.03958
 43 Pt    0.00000   -0.04328    0.08250
 44 Pt   -0.00000    1.12040   -3.45425
 45 O     0.52132   -0.86614   -1.22514
 46 O    -0.52132   -0.86614   -1.22514
 47 O     0.00000   -0.02853   -0.03511
 48 O    -0.00000    0.02416    1.17635
 49 Pt    0.00000   -0.03802   -0.38290
 50 Pt   -0.00000    0.02149   -0.43686
 51 O    -1.69055   -0.01342   -0.71833
 52 O     1.69055   -0.01342   -0.71833
 53 O     0.00000   -0.00202   -1.39594
 54 O     0.00000   -0.00228    1.77553
 55 Pt    0.00000   -0.00899    0.52091
 56 Pt   -0.00000    0.08157    0.62709
 57 O    -1.61214    0.01159    0.08478
 58 O     1.61214    0.01159    0.08478
 59 O     0.00000   -0.02208   -0.51146
 60 O     0.00000   -0.38730   -0.07211
 61 Pt   -0.00000    0.11841   -0.02062
 62 Pt   -0.00000    0.01381   -0.00207
 63 O    -0.01917   -0.00746   -0.00469
 64 O     0.01917   -0.00746   -0.00469
 65 O     0.00000    0.00916    0.03748
 66 O     0.00000   -0.03146    0.00616
 67 Pt   -0.00000    0.02987   -0.14931
 68 Pt   -0.00000    0.26494   -0.08074
 69 O     0.28050    0.43031   -0.26935
 70 O    -0.28050    0.43031   -0.26935
 71 O    -0.00000    0.00910   -0.03708
 72 N     0.00000   -0.54164    2.99433
 73 N     0.00000   -0.49359    3.60153

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   ON    O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O      O           
                  Pt Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.575700   22.960039    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.466067   23.157563    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:50:32  -2.49   +inf  -412.364022    3      1      
iter:   2  16:52:31  -3.42  -3.36  -412.357023    3      1      
iter:   3  16:54:29  -3.98  -3.33  -412.362041    3      1      
iter:   4  16:56:28  -4.17  -3.51  -412.361065    3      1      
iter:   5  16:58:26  -4.36  -3.26  -412.364360    3      1      
iter:   6  17:00:24  -4.53  -3.12  -412.357087    3      1      
iter:   7  17:02:22  -4.74  -3.77  -412.356479    2      1      
iter:   8  17:04:20  -5.02  -3.92  -412.356617    2      1      
iter:   9  17:06:18  -5.22  -3.83  -412.355318    3      1      
iter:  10  17:08:17  -5.68  -4.11  -412.356241    3      1      
iter:  11  17:10:15  -6.06  -4.28  -412.356025    2      1      
iter:  12  17:12:13  -6.41  -4.02  -412.355974    2      1      
iter:  13  17:14:12  -6.62  -4.45  -412.356019    2      1      
iter:  14  17:16:10  -6.56  -4.65  -412.355968    2      1      
iter:  15  17:18:08  -6.94  -4.59  -412.356127    2      1      
iter:  16  17:20:05  -7.31  -4.72  -412.355920    2      1      
iter:  17  17:21:56  -7.65  -4.89  -412.355971    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961265, -32.519190, 0.082646) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +34.871126
Potential:     -147.902483
External:        +0.000000
XC:            -309.036691
Entropy (-ST):   -1.549603
Local:          +10.486879
--------------------------
Free energy:   -413.130773
Extrapolated:  -412.355971

Fermi level: -6.46694

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52254    0.14123
  0   340     -6.52038    0.14012
  0   341     -6.50876    0.13402
  0   342     -6.46996    0.11279

  1   339     -6.44346    0.19625
  1   340     -6.39553    0.14609
  1   341     -6.35966    0.11328
  1   342     -6.35660    0.11072



Forces in eV/Ang:
  0 O     0.00000   -0.01885    1.17879
  1 Pt    0.00000   -0.00432   -0.38669
  2 Pt    0.00000   -0.01940   -0.43668
  3 O    -1.68223    0.00020   -0.71896
  4 O     1.68223    0.00020   -0.71896
  5 O     0.00000   -0.02150   -1.37341
  6 O     0.00000   -0.00147    1.76579
  7 Pt   -0.00000    0.01285    0.44673
  8 Pt    0.00000   -0.00134    0.71453
  9 O    -1.58178    0.00043    0.05900
 10 O     1.58178    0.00043    0.05900
 11 O     0.00000   -0.00775   -0.55740
 12 O    -0.00000    0.17736    0.23375
 13 Pt   -0.00000    0.33500    0.08039
 14 Pt    0.00000   -0.01445    0.01298
 15 O     0.01334    0.00714    0.00228
 16 O    -0.01334    0.00714    0.00228
 17 O     0.00000   -0.03830   -1.17457
 18 O    -0.00000    0.02003    0.03086
 19 Pt    0.00000   -0.01492    0.12093
 20 Pt    0.00000   -0.34887    0.19825
 21 O    -0.21138    0.38637    0.27119
 22 O     0.21138    0.38637    0.27119
 23 O     0.00000   -0.02140   -0.07997
 24 O     0.00000   -0.00148    1.15144
 25 Pt   -0.00000    0.03429   -0.38645
 26 Pt    0.00000   -0.00018   -0.43751
 27 O    -1.69211    0.01289   -0.71775
 28 O     1.69211    0.01289   -0.71775
 29 O    -0.00000    0.04466   -1.41948
 30 O     0.00000   -0.00553    1.83389
 31 Pt   -0.00000    0.01698    0.51243
 32 Pt    0.00000   -0.13604    0.64868
 33 O    -1.61313   -0.01701    0.06324
 34 O     1.61313   -0.01701    0.06324
 35 O     0.00000   -0.03282   -0.51650
 36 O    -0.00000    0.23888   -0.27319
 37 Pt    0.00000   -0.48468    0.05658
 38 Pt    0.00000   -0.00664   -0.00061
 39 O     0.00735    0.01421    0.00534
 40 O    -0.00735    0.01421    0.00534
 41 O    -0.00000    0.17230    0.56116
 42 O    -0.00000    0.04505   -0.03810
 43 Pt    0.00000   -0.04309    0.06786
 44 Pt   -0.00000    1.00511   -3.12976
 45 O     0.46493   -0.85969   -1.11931
 46 O    -0.46493   -0.85969   -1.11931
 47 O     0.00000   -0.02880   -0.03276
 48 O    -0.00000    0.02421    1.17618
 49 Pt    0.00000   -0.03754   -0.38319
 50 Pt   -0.00000    0.02147   -0.43730
 51 O    -1.69141   -0.01343   -0.71849
 52 O     1.69141   -0.01343   -0.71849
 53 O     0.00000   -0.00183   -1.39642
 54 O     0.00000   -0.00224    1.77244
 55 Pt    0.00000   -0.00917    0.51935
 56 Pt   -0.00000    0.08185    0.62591
 57 O    -1.61216    0.01174    0.08463
 58 O     1.61216    0.01174    0.08463
 59 O     0.00000   -0.02204   -0.51188
 60 O     0.00000   -0.38585   -0.07232
 61 Pt   -0.00000    0.13253   -0.02453
 62 Pt   -0.00000    0.01384   -0.00261
 63 O    -0.01851   -0.00723   -0.00455
 64 O     0.01851   -0.00723   -0.00455
 65 O     0.00000    0.00898    0.03265
 66 O     0.00000   -0.03162    0.00659
 67 Pt   -0.00000    0.03242   -0.15324
 68 Pt   -0.00000    0.26237   -0.07486
 69 O     0.27607    0.42560   -0.27092
 70 O    -0.27607    0.42560   -0.27092
 71 O    -0.00000    0.00976   -0.03602
 72 N     0.00000   -0.55872    2.65552
 73 N     0.00000   -0.43948    3.39719

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   ON    O           
             O     Pt              
        O     O      O             
         PtO Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O      O           
                  Pt Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.586806   22.979138    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.482129   23.194196    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:26:23  -2.49   +inf  -412.528793    3      1      
iter:   2  17:28:22  -3.22  -2.92  -413.079279    3      1      
iter:   3  17:30:20  -3.62  -2.23  -412.511445    3      1      
iter:   4  17:32:18  -4.24  -3.28  -412.511834    3      1      
iter:   5  17:34:17  -4.43  -3.54  -412.506233    3      1      
iter:   6  17:36:15  -4.36  -3.53  -412.506938    3      1      
iter:   7  17:38:14  -4.85  -3.67  -412.506743    2      1      
iter:   8  17:40:12  -4.87  -3.88  -412.505998    3      1      
iter:   9  17:42:11  -5.20  -3.99  -412.507412    2      1      
iter:  10  17:44:09  -5.38  -3.55  -412.506544    2      1      
iter:  11  17:46:07  -5.80  -4.02  -412.505764    2      1      
iter:  12  17:48:06  -6.22  -4.41  -412.506054    2      1      
iter:  13  17:50:03  -6.47  -4.35  -412.505964    2      1      
iter:  14  17:52:00  -6.52  -4.44  -412.506025    2      1      
iter:  15  17:53:50  -6.70  -4.60  -412.505904    2      1      
iter:  16  17:55:41  -7.25  -4.40  -412.505891    2      1      
iter:  17  17:57:32  -7.34  -4.45  -412.506040    2      1      
iter:  18  17:59:22  -7.37  -4.75  -412.505918    2      1      
iter:  19  18:01:13  -7.36  -4.75  -412.505972    2      1      
iter:  20  18:03:04  -7.21  -4.93  -412.505940    2      1      
iter:  21  18:04:55  -7.32  -5.17  -412.505950    2      1      
iter:  22  18:06:46  -7.75  -5.02  -412.505963    2      1      

Converged after 22 iterations.

Dipole moment: (-55.961058, -32.517577, 0.088731) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +33.402291
Potential:     -146.821095
External:        +0.000000
XC:            -308.805903
Entropy (-ST):   -1.550555
Local:          +10.494021
--------------------------
Free energy:   -413.281240
Extrapolated:  -412.505963

Fermi level: -6.46093

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51704    0.14149
  0   340     -6.51488    0.14038
  0   341     -6.50157    0.13338
  0   342     -6.46484    0.11328

  1   339     -6.43754    0.19635
  1   340     -6.38976    0.14632
  1   341     -6.35395    0.11353
  1   342     -6.34984    0.11009



Forces in eV/Ang:
  0 O     0.00000   -0.01875    1.17851
  1 Pt    0.00000   -0.00432   -0.38527
  2 Pt    0.00000   -0.01933   -0.43580
  3 O    -1.68017    0.00022   -0.71909
  4 O     1.68017    0.00022   -0.71909
  5 O     0.00000   -0.02148   -1.37424
  6 O     0.00000   -0.00148    1.77372
  7 Pt   -0.00000    0.01286    0.44966
  8 Pt    0.00000   -0.00153    0.71664
  9 O    -1.58123    0.00042    0.05945
 10 O     1.58123    0.00042    0.05945
 11 O     0.00000   -0.00778   -0.55691
 12 O    -0.00000    0.17306    0.23033
 13 Pt   -0.00000    0.33334    0.08027
 14 Pt    0.00000   -0.01428    0.01483
 15 O     0.01219    0.00707    0.00265
 16 O    -0.01219    0.00707    0.00265
 17 O     0.00000   -0.03414   -1.17020
 18 O    -0.00000    0.02143    0.03151
 19 Pt    0.00000   -0.01531    0.12221
 20 Pt    0.00000   -0.29888    0.22558
 21 O    -0.21353    0.38695    0.26883
 22 O     0.21353    0.38695    0.26883
 23 O     0.00000   -0.01992   -0.08166
 24 O     0.00000   -0.00158    1.15136
 25 Pt   -0.00000    0.03371   -0.38541
 26 Pt    0.00000   -0.00019   -0.43676
 27 O    -1.69005    0.01293   -0.71788
 28 O     1.69005    0.01293   -0.71788
 29 O    -0.00000    0.04498   -1.41899
 30 O     0.00000   -0.00549    1.84153
 31 Pt   -0.00000    0.01703    0.51490
 32 Pt    0.00000   -0.13722    0.64763
 33 O    -1.61289   -0.01723    0.06417
 34 O     1.61289   -0.01723    0.06417
 35 O     0.00000   -0.03282   -0.51611
 36 O    -0.00000    0.23728   -0.26651
 37 Pt    0.00000   -0.48973    0.05697
 38 Pt    0.00000   -0.00696    0.00094
 39 O     0.00656    0.01405    0.00586
 40 O    -0.00656    0.01405    0.00586
 41 O    -0.00000    0.14631    0.58372
 42 O    -0.00000    0.04403   -0.03720
 43 Pt    0.00000   -0.04259    0.05573
 44 Pt   -0.00000    0.89443   -2.83015
 45 O     0.40639   -0.85381   -1.01478
 46 O    -0.40639   -0.85381   -1.01478
 47 O     0.00000   -0.02956   -0.03432
 48 O    -0.00000    0.02422    1.17595
 49 Pt    0.00000   -0.03705   -0.38222
 50 Pt   -0.00000    0.02141   -0.43646
 51 O    -1.68930   -0.01349   -0.71860
 52 O     1.68930   -0.01349   -0.71860
 53 O     0.00000   -0.00177   -1.39745
 54 O     0.00000   -0.00225    1.78044
 55 Pt    0.00000   -0.00920    0.52196
 56 Pt   -0.00000    0.08231    0.62769
 57 O    -1.61178    0.01207    0.08554
 58 O     1.61178    0.01207    0.08554
 59 O     0.00000   -0.02204   -0.51121
 60 O     0.00000   -0.38261   -0.07231
 61 Pt   -0.00000    0.14531   -0.02652
 62 Pt   -0.00000    0.01391   -0.00110
 63 O    -0.01843   -0.00694   -0.00374
 64 O     0.01843   -0.00694   -0.00374
 65 O     0.00000    0.00884    0.04127
 66 O     0.00000   -0.03184    0.00629
 67 Pt   -0.00000    0.03424   -0.15705
 68 Pt   -0.00000    0.26132   -0.06863
 69 O     0.27196    0.42042   -0.27128
 70 O    -0.27196    0.42042   -0.27128
 71 O    -0.00000    0.01019   -0.03760
 72 N     0.00000   -0.45858    2.32640
 73 N     0.00000   -0.43681    3.03706

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   ON    O           
             O     Pt              
        O     O      O             
         PtO Pt                    
               OPt OPt   O         
       Pt  PO     O  O             
             O  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.597359   22.998345    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.497742   23.231024    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:11:12  -2.48   +inf  -412.762362    3      1      
iter:   2  18:13:11  -2.76  -2.56  -415.905406    3      1      
iter:   3  18:15:10  -3.19  -1.87  -412.687638    3      1      
iter:   4  18:17:08  -3.68  -2.79  -412.652972    3      1      
iter:   5  18:19:06  -4.15  -3.38  -412.647012    3      1      
iter:   6  18:21:05  -4.16  -3.50  -412.645939    3      1      
iter:   7  18:23:02  -4.40  -3.47  -412.645541    3      1      
iter:   8  18:25:01  -4.82  -3.55  -412.644756    3      1      
iter:   9  18:26:59  -5.30  -4.06  -412.644764    2      1      
iter:  10  18:28:58  -5.41  -3.81  -412.644313    2      1      
iter:  11  18:30:57  -5.62  -4.27  -412.643964    2      1      
iter:  12  18:32:54  -6.07  -4.25  -412.644542    2      1      
iter:  13  18:34:51  -6.20  -4.33  -412.644187    2      1      
iter:  14  18:36:41  -6.41  -4.46  -412.644149    2      1      
iter:  15  18:38:33  -6.60  -4.84  -412.644147    2      1      
iter:  16  18:40:23  -6.98  -4.97  -412.644166    2      1      
iter:  17  18:42:14  -7.56  -4.81  -412.644209    2      1      

Converged after 17 iterations.

Dipole moment: (-55.960974, -32.515860, 0.095171) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +31.943508
Potential:     -145.737700
External:        +0.000000
XC:            -308.574934
Entropy (-ST):   -1.551535
Local:          +10.500684
--------------------------
Free energy:   -413.419976
Extrapolated:  -412.644209

Fermi level: -6.45627

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51197    0.14128
  0   340     -6.50983    0.14018
  0   341     -6.49671    0.13328
  0   342     -6.46180    0.11419

  1   339     -6.43271    0.19617
  1   340     -6.38471    0.14594
  1   341     -6.34959    0.11378
  1   342     -6.34474    0.10973



Forces in eV/Ang:
  0 O     0.00000   -0.01866    1.17759
  1 Pt    0.00000   -0.00434   -0.38532
  2 Pt    0.00000   -0.01930   -0.43650
  3 O    -1.68244    0.00022   -0.71918
  4 O     1.68244    0.00022   -0.71918
  5 O     0.00000   -0.02156   -1.37364
  6 O     0.00000   -0.00154    1.76797
  7 Pt   -0.00000    0.01292    0.44798
  8 Pt    0.00000   -0.00176    0.71582
  9 O    -1.58144    0.00048    0.05975
 10 O     1.58144    0.00048    0.05975
 11 O     0.00000   -0.00780   -0.55708
 12 O    -0.00000    0.17089    0.22713
 13 Pt   -0.00000    0.33198    0.07558
 14 Pt    0.00000   -0.01422    0.01433
 15 O     0.01214    0.00713    0.00329
 16 O    -0.01214    0.00713    0.00329
 17 O     0.00000   -0.02855   -1.17868
 18 O    -0.00000    0.02214    0.03290
 19 Pt    0.00000   -0.01609    0.12364
 20 Pt    0.00000   -0.26487    0.23577
 21 O    -0.21377    0.38689    0.26878
 22 O     0.21377    0.38689    0.26878
 23 O     0.00000   -0.01936   -0.07834
 24 O     0.00000   -0.00168    1.15063
 25 Pt   -0.00000    0.03308   -0.38573
 26 Pt    0.00000   -0.00018   -0.43750
 27 O    -1.69227    0.01293   -0.71797
 28 O     1.69227    0.01293   -0.71797
 29 O    -0.00000    0.04529   -1.41699
 30 O     0.00000   -0.00543    1.83594
 31 Pt   -0.00000    0.01724    0.51284
 32 Pt    0.00000   -0.13825    0.64361
 33 O    -1.61334   -0.01732    0.06497
 34 O     1.61334   -0.01732    0.06497
 35 O     0.00000   -0.03280   -0.51644
 36 O    -0.00000    0.23566   -0.26097
 37 Pt    0.00000   -0.49430    0.05546
 38 Pt    0.00000   -0.00724   -0.00009
 39 O     0.00697    0.01395    0.00694
 40 O    -0.00697    0.01395    0.00694
 41 O    -0.00000    0.12176    0.61505
 42 O    -0.00000    0.04341   -0.03562
 43 Pt    0.00000   -0.04316    0.04014
 44 Pt   -0.00000    0.80711   -2.56516
 45 O     0.37002   -0.84913   -0.93380
 46 O    -0.37002   -0.84913   -0.93380
 47 O     0.00000   -0.02934   -0.02825
 48 O    -0.00000    0.02424    1.17510
 49 Pt    0.00000   -0.03651   -0.38260
 50 Pt   -0.00000    0.02138   -0.43718
 51 O    -1.69149   -0.01349   -0.71866
 52 O     1.69149   -0.01349   -0.71866
 53 O     0.00000   -0.00167   -1.39717
 54 O     0.00000   -0.00230    1.77465
 55 Pt    0.00000   -0.00945    0.51996
 56 Pt   -0.00000    0.08275    0.62663
 57 O    -1.61215    0.01219    0.08628
 58 O     1.61215    0.01219    0.08628
 59 O     0.00000   -0.02205   -0.51121
 60 O     0.00000   -0.38095   -0.07264
 61 Pt   -0.00000    0.15676   -0.03073
 62 Pt   -0.00000    0.01402   -0.00223
 63 O    -0.01753   -0.00679   -0.00262
 64 O     0.01753   -0.00679   -0.00262
 65 O     0.00000    0.00832    0.02969
 66 O     0.00000   -0.03198    0.00699
 67 Pt   -0.00000    0.03730   -0.15924
 68 Pt   -0.00000    0.25764   -0.06284
 69 O     0.26727    0.41513   -0.27101
 70 O    -0.26727    0.41513   -0.27101
 71 O    -0.00000    0.01034   -0.03450
 72 N     0.00000   -0.41771    2.07228
 73 N     0.00000   -0.45840    2.87454

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   ON    O           
             O                     
        O     O    PtO             
         PtO Pt                    
               OPt OPt   O         
       Pt  PO     O  O             
             O  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.607302   23.017152    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.512735   23.268107    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:46:34  -2.50   +inf  -412.773794    3      1      
iter:   2  18:48:32  -3.38  -3.31  -412.817648    3      1      
iter:   3  18:50:30  -3.88  -2.78  -412.779580    2      1      
iter:   4  18:52:27  -4.29  -3.22  -412.772472    3      1      
iter:   5  18:54:25  -4.39  -3.47  -412.773864    2      1      
iter:   6  18:56:22  -4.41  -3.65  -412.771780    3      1      
iter:   7  18:58:20  -4.68  -3.71  -412.771818    2      1      
iter:   8  19:00:19  -5.02  -4.09  -412.771299    3      1      
iter:   9  19:02:18  -5.27  -4.06  -412.771291    2      1      
iter:  10  19:04:16  -5.74  -4.09  -412.771652    2      1      
iter:  11  19:06:14  -6.13  -4.15  -412.770976    2      1      
iter:  12  19:08:12  -6.73  -4.35  -412.771255    2      1      
iter:  13  19:10:10  -6.71  -4.50  -412.771172    2      1      
iter:  14  19:12:08  -6.68  -4.42  -412.771274    2      1      
iter:  15  19:14:06  -6.91  -4.61  -412.771214    2      1      
iter:  16  19:16:03  -7.06  -4.52  -412.771129    2      1      
iter:  17  19:17:54  -7.42  -4.54  -412.771305    2      1      

Converged after 17 iterations.

Dipole moment: (-55.960838, -32.514110, 0.099509) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +30.720857
Potential:     -144.859850
External:        +0.000000
XC:            -308.361019
Entropy (-ST):   -1.552353
Local:          +10.504884
--------------------------
Free energy:   -413.547482
Extrapolated:  -412.771305

Fermi level: -6.45256

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50829    0.14130
  0   340     -6.50617    0.14020
  0   341     -6.49234    0.13293
  0   342     -6.45899    0.11469

  1   339     -6.42889    0.19605
  1   340     -6.38095    0.14589
  1   341     -6.34605    0.11393
  1   342     -6.34043    0.10924



Forces in eV/Ang:
  0 O     0.00000   -0.01854    1.17791
  1 Pt    0.00000   -0.00433   -0.38512
  2 Pt    0.00000   -0.01925   -0.43682
  3 O    -1.68231    0.00025   -0.71920
  4 O     1.68231    0.00025   -0.71920
  5 O     0.00000   -0.02159   -1.37439
  6 O     0.00000   -0.00166    1.76617
  7 Pt   -0.00000    0.01290    0.44719
  8 Pt    0.00000   -0.00217    0.71580
  9 O    -1.58119    0.00049    0.05862
 10 O     1.58119    0.00049    0.05862
 11 O     0.00000   -0.00786   -0.55794
 12 O    -0.00000    0.16730    0.22350
 13 Pt   -0.00000    0.33056    0.07262
 14 Pt    0.00000   -0.01393    0.01446
 15 O     0.01204    0.00706    0.00266
 16 O    -0.01204    0.00706    0.00266
 17 O     0.00000   -0.02466   -1.17799
 18 O    -0.00000    0.02282    0.03330
 19 Pt    0.00000   -0.01637    0.12551
 20 Pt    0.00000   -0.22907    0.24727
 21 O    -0.21543    0.38723    0.26579
 22 O     0.21543    0.38723    0.26579
 23 O     0.00000   -0.01848   -0.07800
 24 O     0.00000   -0.00177    1.15105
 25 Pt   -0.00000    0.03246   -0.38591
 26 Pt    0.00000   -0.00020   -0.43799
 27 O    -1.69213    0.01294   -0.71799
 28 O     1.69213    0.01294   -0.71799
 29 O    -0.00000    0.04556   -1.41613
 30 O     0.00000   -0.00541    1.83411
 31 Pt   -0.00000    0.01739    0.51182
 32 Pt    0.00000   -0.13921    0.64069
 33 O    -1.61327   -0.01747    0.06442
 34 O     1.61327   -0.01747    0.06442
 35 O     0.00000   -0.03278   -0.51725
 36 O    -0.00000    0.23376   -0.25514
 37 Pt    0.00000   -0.49844    0.05280
 38 Pt    0.00000   -0.00735   -0.00042
 39 O     0.00709    0.01397    0.00658
 40 O    -0.00709    0.01397    0.00658
 41 O    -0.00000    0.09958    0.63894
 42 O    -0.00000    0.04256   -0.03456
 43 Pt    0.00000   -0.04267    0.02851
 44 Pt   -0.00000    0.72092   -2.32307
 45 O     0.32331   -0.84066   -0.84777
 46 O    -0.32331   -0.84066   -0.84777
 47 O     0.00000   -0.02966   -0.02793
 48 O    -0.00000    0.02421    1.17545
 49 Pt    0.00000   -0.03596   -0.38288
 50 Pt   -0.00000    0.02135   -0.43750
 51 O    -1.69131   -0.01351   -0.71866
 52 O     1.69131   -0.01351   -0.71866
 53 O     0.00000   -0.00161   -1.39812
 54 O     0.00000   -0.00221    1.77303
 55 Pt    0.00000   -0.00958    0.51906
 56 Pt   -0.00000    0.08342    0.62647
 57 O    -1.61201    0.01243    0.08572
 58 O     1.61201    0.01243    0.08572
 59 O     0.00000   -0.02203   -0.51186
 60 O     0.00000   -0.37750   -0.07357
 61 Pt   -0.00000    0.16635   -0.03462
 62 Pt   -0.00000    0.01379   -0.00256
 63 O    -0.01684   -0.00669   -0.00299
 64 O     0.01684   -0.00669   -0.00299
 65 O     0.00000    0.00852    0.03037
 66 O     0.00000   -0.03180    0.00653
 67 Pt   -0.00000    0.03858   -0.16129
 68 Pt   -0.00000    0.25551   -0.05746
 69 O     0.26306    0.40981   -0.27168
 70 O    -0.26306    0.40981   -0.27168
 71 O    -0.00000    0.01063   -0.03419
 72 N     0.00000   -0.48325    1.83917
 73 N     0.00000   -0.25554    2.67256

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   ON    O           
             O                     
        O     O    PtO             
         PtO Pt                    
               OPt O     O         
       Pt  PO     O Pt             
             O  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.615941   23.035282    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.527896   23.305123    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:22:14  -2.50   +inf  -412.889997    3      1      
iter:   2  19:24:11  -3.37  -3.29  -412.935444    3      1      
iter:   3  19:26:08  -3.84  -2.79  -412.898578    3      1      
iter:   4  19:28:06  -4.28  -3.21  -412.890632    3      1      
iter:   5  19:30:03  -4.31  -3.55  -412.890558    3      1      
iter:   6  19:31:59  -4.38  -3.55  -412.889224    3      1      
iter:   7  19:33:56  -4.76  -3.90  -412.889254    2      1      
iter:   8  19:35:54  -5.05  -4.06  -412.889122    3      1      
iter:   9  19:37:52  -5.27  -3.73  -412.888599    3      1      
iter:  10  19:39:51  -5.70  -4.03  -412.888779    2      1      
iter:  11  19:41:48  -6.20  -4.29  -412.888423    2      1      
iter:  12  19:43:47  -6.56  -4.46  -412.888746    2      1      
iter:  13  19:45:44  -6.79  -4.49  -412.888557    2      1      
iter:  14  19:47:42  -6.72  -4.62  -412.888645    2      1      
iter:  15  19:49:40  -7.07  -4.64  -412.888639    2      1      
iter:  16  19:51:37  -7.54  -4.83  -412.888590    2      1      

Converged after 16 iterations.

Dipole moment: (-55.960767, -32.512373, 0.104976) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +29.710491
Potential:     -144.138331
External:        +0.000000
XC:            -308.192625
Entropy (-ST):   -1.553428
Local:          +10.508589
--------------------------
Free energy:   -413.665304
Extrapolated:  -412.888590

Fermi level: -6.44764

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50329    0.14125
  0   340     -6.50118    0.14016
  0   341     -6.48713    0.13277
  0   342     -6.45493    0.11516

  1   339     -6.42417    0.19626
  1   340     -6.37583    0.14569
  1   341     -6.34133    0.11410
  1   342     -6.33514    0.10893



Forces in eV/Ang:
  0 O     0.00000   -0.01847    1.17757
  1 Pt    0.00000   -0.00431   -0.38362
  2 Pt    0.00000   -0.01924   -0.43582
  3 O    -1.68191    0.00027   -0.71909
  4 O     1.68191    0.00027   -0.71909
  5 O     0.00000   -0.02161   -1.37459
  6 O     0.00000   -0.00172    1.76754
  7 Pt   -0.00000    0.01295    0.44801
  8 Pt    0.00000   -0.00244    0.71704
  9 O    -1.58160    0.00054    0.05881
 10 O     1.58160    0.00054    0.05881
 11 O     0.00000   -0.00795   -0.55836
 12 O    -0.00000    0.16398    0.22022
 13 Pt   -0.00000    0.32923    0.06802
 14 Pt    0.00000   -0.01421    0.01357
 15 O     0.01123    0.00722    0.00265
 16 O    -0.01123    0.00722    0.00265
 17 O     0.00000   -0.02111   -1.18443
 18 O    -0.00000    0.02324    0.03419
 19 Pt    0.00000   -0.01666    0.12532
 20 Pt    0.00000   -0.19846    0.25569
 21 O    -0.21511    0.38763    0.26464
 22 O     0.21511    0.38763    0.26464
 23 O     0.00000   -0.01833   -0.07684
 24 O     0.00000   -0.00184    1.15086
 25 Pt   -0.00000    0.03185   -0.38462
 26 Pt    0.00000   -0.00020   -0.43701
 27 O    -1.69167    0.01292   -0.71791
 28 O     1.69167    0.01292   -0.71791
 29 O    -0.00000    0.04578   -1.41477
 30 O     0.00000   -0.00534    1.83581
 31 Pt   -0.00000    0.01760    0.51224
 32 Pt    0.00000   -0.14002    0.63875
 33 O    -1.61397   -0.01752    0.06503
 34 O     1.61397   -0.01752    0.06503
 35 O     0.00000   -0.03274   -0.51775
 36 O    -0.00000    0.23237   -0.24966
 37 Pt    0.00000   -0.50271    0.04904
 38 Pt    0.00000   -0.00740   -0.00225
 39 O     0.00675    0.01379    0.00695
 40 O    -0.00675    0.01379    0.00695
 41 O    -0.00000    0.08087    0.66284
 42 O    -0.00000    0.04215   -0.03358
 43 Pt    0.00000   -0.04294    0.01562
 44 Pt   -0.00000    0.64486   -2.10506
 45 O     0.28402   -0.83254   -0.76858
 46 O    -0.28402   -0.83254   -0.76858
 47 O     0.00000   -0.02961   -0.02536
 48 O    -0.00000    0.02421    1.17515
 49 Pt    0.00000   -0.03544   -0.38168
 50 Pt   -0.00000    0.02134   -0.43653
 51 O    -1.69083   -0.01351   -0.71855
 52 O     1.69083   -0.01351   -0.71855
 53 O     0.00000   -0.00157   -1.39852
 54 O     0.00000   -0.00223    1.77443
 55 Pt    0.00000   -0.00983    0.51951
 56 Pt   -0.00000    0.08396    0.62767
 57 O    -1.61265    0.01251    0.08628
 58 O     1.61265    0.01251    0.08628
 59 O     0.00000   -0.02200   -0.51203
 60 O     0.00000   -0.37412   -0.07449
 61 Pt   -0.00000    0.17509   -0.03905
 62 Pt   -0.00000    0.01407   -0.00379
 63 O    -0.01677   -0.00664   -0.00258
 64 O     0.01677   -0.00664   -0.00258
 65 O     0.00000    0.00887    0.02283
 66 O     0.00000   -0.03193    0.00673
 67 Pt   -0.00000    0.04062   -0.16437
 68 Pt   -0.00000    0.25176   -0.05367
 69 O     0.25794    0.40229   -0.27019
 70 O    -0.25794    0.40229   -0.27019
 71 O    -0.00000    0.01117   -0.03331
 72 N     0.00000   -0.39732    1.70425
 73 N     0.00000   -0.37785    2.57599

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   ON    O           
             O                     
        O     O    PtO             
         PtO Pt                    
               OPt O     O         
       Pt   O     O Pt             
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.624310   23.053406    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.542618   23.342315    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:58:04  -2.49   +inf  -413.008286    3      1      
iter:   2  20:00:03  -3.30  -3.14  -413.154849    3      1      
iter:   3  20:02:00  -3.74  -2.49  -413.003623    3      1      
iter:   4  20:03:59  -4.21  -3.13  -413.001928    3      1      
iter:   5  20:05:57  -4.39  -3.51  -412.997732    3      1      
iter:   6  20:07:55  -4.38  -3.68  -412.996907    3      1      
iter:   7  20:09:53  -4.74  -3.86  -412.997106    2      1      
iter:   8  20:11:51  -4.98  -4.05  -412.996499    3      1      
iter:   9  20:13:49  -5.23  -4.24  -412.997368    2      1      
iter:  10  20:15:48  -5.62  -3.91  -412.996976    2      1      
iter:  11  20:17:45  -6.04  -3.77  -412.996460    2      1      
iter:  12  20:19:43  -6.50  -4.50  -412.996625    2      1      
iter:  13  20:21:41  -6.63  -4.55  -412.996526    2      1      
iter:  14  20:23:40  -6.65  -4.42  -412.996671    2      1      
iter:  15  20:25:37  -6.87  -4.46  -412.996500    2      1      
iter:  16  20:27:28  -7.32  -4.67  -412.996661    2      1      
iter:  17  20:29:19  -7.07  -4.38  -412.996656    2      1      
iter:  18  20:31:10  -7.28  -4.54  -412.996567    2      1      
iter:  19  20:33:01  -7.37  -4.82  -412.996612    2      1      
iter:  20  20:34:52  -7.83  -5.03  -412.996592    2      1      

Converged after 20 iterations.

Dipole moment: (-55.960696, -32.510873, 0.110724) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +28.657121
Potential:     -143.374223
External:        +0.000000
XC:            -308.016836
Entropy (-ST):   -1.554094
Local:          +10.514393
--------------------------
Free energy:   -413.773639
Extrapolated:  -412.996592

Fermi level: -6.44266

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.49843    0.14132
  0   340     -6.49634    0.14024
  0   341     -6.48165    0.13250
  0   342     -6.45038    0.11540

  1   339     -6.41912    0.19619
  1   340     -6.37085    0.14570
  1   341     -6.33644    0.11417
  1   342     -6.32959    0.10846



Forces in eV/Ang:
  0 O     0.00000   -0.01841    1.17736
  1 Pt    0.00000   -0.00429   -0.38310
  2 Pt    0.00000   -0.01922   -0.43557
  3 O    -1.68174    0.00028   -0.71907
  4 O     1.68174    0.00028   -0.71907
  5 O     0.00000   -0.02148   -1.37508
  6 O     0.00000   -0.00159    1.76880
  7 Pt   -0.00000    0.01300    0.44861
  8 Pt    0.00000   -0.00278    0.71781
  9 O    -1.58124    0.00053    0.05868
 10 O     1.58124    0.00053    0.05868
 11 O     0.00000   -0.00795   -0.55838
 12 O    -0.00000    0.16027    0.21674
 13 Pt   -0.00000    0.32779    0.06456
 14 Pt    0.00000   -0.01462    0.01367
 15 O     0.01034    0.00727    0.00245
 16 O    -0.01034    0.00727    0.00245
 17 O     0.00000   -0.01832   -1.18504
 18 O    -0.00000    0.02399    0.03441
 19 Pt    0.00000   -0.01716    0.12691
 20 Pt    0.00000   -0.16901    0.26891
 21 O    -0.21578    0.38781    0.26315
 22 O     0.21578    0.38781    0.26315
 23 O     0.00000   -0.01758   -0.07641
 24 O     0.00000   -0.00190    1.15091
 25 Pt   -0.00000    0.03122   -0.38425
 26 Pt    0.00000   -0.00020   -0.43678
 27 O    -1.69143    0.01292   -0.71783
 28 O     1.69143    0.01292   -0.71783
 29 O    -0.00000    0.04597   -1.41362
 30 O     0.00000   -0.00528    1.83718
 31 Pt   -0.00000    0.01767    0.51231
 32 Pt    0.00000   -0.14075    0.63577
 33 O    -1.61387   -0.01769    0.06541
 34 O     1.61387   -0.01769    0.06541
 35 O     0.00000   -0.03273   -0.51802
 36 O    -0.00000    0.23129   -0.24378
 37 Pt    0.00000   -0.50581    0.04598
 38 Pt    0.00000   -0.00744   -0.00245
 39 O     0.00691    0.01359    0.00707
 40 O    -0.00691    0.01359    0.00707
 41 O    -0.00000    0.06459    0.67530
 42 O    -0.00000    0.04164   -0.03291
 43 Pt    0.00000   -0.04323    0.00633
 44 Pt   -0.00000    0.57272   -1.90439
 45 O     0.24820   -0.82755   -0.69836
 46 O    -0.24820   -0.82755   -0.69836
 47 O     0.00000   -0.02986   -0.02414
 48 O    -0.00000    0.02420    1.17498
 49 Pt    0.00000   -0.03488   -0.38141
 50 Pt   -0.00000    0.02132   -0.43632
 51 O    -1.69056   -0.01352   -0.71845
 52 O     1.69056   -0.01352   -0.71845
 53 O     0.00000   -0.00167   -1.39910
 54 O     0.00000   -0.00243    1.77572
 55 Pt    0.00000   -0.00995    0.51955
 56 Pt   -0.00000    0.08456    0.62840
 57 O    -1.61254    0.01276    0.08665
 58 O     1.61254    0.01276    0.08665
 59 O     0.00000   -0.02201   -0.51205
 60 O     0.00000   -0.37035   -0.07575
 61 Pt   -0.00000    0.18244   -0.04266
 62 Pt   -0.00000    0.01448   -0.00352
 63 O    -0.01600   -0.00650   -0.00230
 64 O     0.01600   -0.00650   -0.00230
 65 O     0.00000    0.00828    0.02395
 66 O     0.00000   -0.03222    0.00646
 67 Pt   -0.00000    0.04280   -0.16582
 68 Pt   -0.00000    0.24890   -0.04794
 69 O     0.25312    0.39543   -0.26880
 70 O    -0.25312    0.39543   -0.26880
 71 O    -0.00000    0.01135   -0.03334
 72 N     0.00000   -0.29115    1.41629
 73 N     0.00000   -0.39597    2.30352

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
          O Pt   ON  PtO           
             O                     
        O     O    PtO             
         PtO Pt                    
               OPt O     O         
       Pt   O     O Pt             
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.632613   23.071776    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.556311   23.379899    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:39:13  -2.48   +inf  -413.104446    3      1      
iter:   2  20:41:12  -3.27  -3.08  -413.389613    3      1      
iter:   3  20:43:10  -3.76  -2.37  -413.102554    3      1      
iter:   4  20:45:08  -4.17  -3.29  -413.096830    3      1      
iter:   5  20:47:06  -4.40  -3.53  -413.099422    3      1      
iter:   6  20:49:03  -4.38  -3.58  -413.096906    3      1      
iter:   7  20:51:01  -4.58  -3.84  -413.096243    3      1      
iter:   8  20:52:59  -4.93  -3.76  -413.096103    2      1      
iter:   9  20:54:56  -5.41  -3.91  -413.095719    2      1      
iter:  10  20:56:54  -5.66  -4.32  -413.095829    2      1      
iter:  11  20:58:51  -5.88  -4.51  -413.095706    2      1      
iter:  12  21:00:48  -6.33  -4.39  -413.095992    2      1      
iter:  13  21:02:44  -6.63  -4.43  -413.095582    2      1      
iter:  14  21:04:39  -6.77  -4.54  -413.095772    2      1      
iter:  15  21:06:34  -6.91  -4.38  -413.095794    2      1      
iter:  16  21:08:25  -7.32  -4.78  -413.095762    2      1      
iter:  17  21:10:15  -7.29  -5.11  -413.095782    2      1      
iter:  18  21:12:06  -7.63  -5.25  -413.095738    2      1      

Converged after 18 iterations.

Dipole moment: (-55.960641, -32.509280, 0.114116) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +27.545013
Potential:     -142.570094
External:        +0.000000
XC:            -307.812612
Entropy (-ST):   -1.554901
Local:          +10.519404
--------------------------
Free energy:   -413.873189
Extrapolated:  -413.095738

Fermi level: -6.43976

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.49551    0.14130
  0   340     -6.49343    0.14023
  0   341     -6.47850    0.13237
  0   342     -6.44794    0.11565

  1   339     -6.41619    0.19616
  1   340     -6.36785    0.14560
  1   341     -6.33363    0.11425
  1   342     -6.32622    0.10808



Forces in eV/Ang:
  0 O     0.00000   -0.01831    1.17705
  1 Pt    0.00000   -0.00427   -0.38252
  2 Pt    0.00000   -0.01916   -0.43548
  3 O    -1.68169    0.00028   -0.71904
  4 O     1.68169    0.00028   -0.71904
  5 O     0.00000   -0.02137   -1.37529
  6 O     0.00000   -0.00161    1.76897
  7 Pt   -0.00000    0.01300    0.44891
  8 Pt    0.00000   -0.00331    0.71852
  9 O    -1.58111    0.00057    0.05871
 10 O     1.58111    0.00057    0.05871
 11 O     0.00000   -0.00799   -0.55864
 12 O    -0.00000    0.15684    0.21416
 13 Pt   -0.00000    0.32664    0.06166
 14 Pt    0.00000   -0.01479    0.01387
 15 O     0.01003    0.00731    0.00286
 16 O    -0.01003    0.00731    0.00286
 17 O     0.00000   -0.01552   -1.18572
 18 O    -0.00000    0.02450    0.03493
 19 Pt    0.00000   -0.01736    0.12842
 20 Pt    0.00000   -0.14611    0.27391
 21 O    -0.21671    0.38842    0.26173
 22 O     0.21671    0.38842    0.26173
 23 O     0.00000   -0.01741   -0.07580
 24 O     0.00000   -0.00194    1.15071
 25 Pt   -0.00000    0.03056   -0.38387
 26 Pt    0.00000   -0.00020   -0.43680
 27 O    -1.69137    0.01295   -0.71781
 28 O     1.69137    0.01295   -0.71781
 29 O    -0.00000    0.04612   -1.41238
 30 O     0.00000   -0.00530    1.83714
 31 Pt   -0.00000    0.01775    0.51219
 32 Pt    0.00000   -0.14140    0.63353
 33 O    -1.61392   -0.01789    0.06593
 34 O     1.61392   -0.01789    0.06593
 35 O     0.00000   -0.03271   -0.51832
 36 O    -0.00000    0.23007   -0.23771
 37 Pt    0.00000   -0.50860    0.04280
 38 Pt    0.00000   -0.00727   -0.00267
 39 O     0.00724    0.01344    0.00795
 40 O    -0.00724    0.01344    0.00795
 41 O    -0.00000    0.04958    0.68998
 42 O    -0.00000    0.04100   -0.03172
 43 Pt    0.00000   -0.04312   -0.00284
 44 Pt   -0.00000    0.50727   -1.71170
 45 O     0.21587   -0.81979   -0.63247
 46 O    -0.21587   -0.81979   -0.63247
 47 O     0.00000   -0.02950   -0.02320
 48 O    -0.00000    0.02413    1.17469
 49 Pt    0.00000   -0.03428   -0.38117
 50 Pt   -0.00000    0.02126   -0.43627
 51 O    -1.69050   -0.01355   -0.71842
 52 O     1.69050   -0.01355   -0.71842
 53 O     0.00000   -0.00173   -1.39949
 54 O     0.00000   -0.00239    1.77594
 55 Pt    0.00000   -0.01003    0.51956
 56 Pt   -0.00000    0.08535    0.62925
 57 O    -1.61255    0.01299    0.08718
 58 O     1.61255    0.01299    0.08718
 59 O     0.00000   -0.02201   -0.51194
 60 O     0.00000   -0.36656   -0.07642
 61 Pt   -0.00000    0.18830   -0.04589
 62 Pt   -0.00000    0.01448   -0.00372
 63 O    -0.01547   -0.00637   -0.00149
 64 O     0.01547   -0.00637   -0.00149
 65 O     0.00000    0.00838    0.02198
 66 O     0.00000   -0.03220    0.00637
 67 Pt   -0.00000    0.04402   -0.16625
 68 Pt   -0.00000    0.24534   -0.04315
 69 O     0.24789    0.38815   -0.26698
 70 O    -0.24789    0.38815   -0.26698
 71 O    -0.00000    0.01137   -0.03272
 72 N     0.00000   -0.34926    1.34461
 73 N     0.00000   -0.25160    2.08933

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
          O      ON  PtO           
            Pt                     
        O          PtO             
         PtO PO      O             
                Pt O               
       Pt   O  O  O Pt   O         
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.640212   23.090436    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.570464   23.417311    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:16:28  -2.49   +inf  -413.193205    3      1      
iter:   2  21:18:26  -3.36  -3.30  -413.277306    3      1      
iter:   3  21:20:24  -3.88  -2.62  -413.192140    2      1      
iter:   4  21:22:21  -4.23  -3.40  -413.192119    2      1      
iter:   5  21:24:20  -4.29  -3.70  -413.188086    3      1      
iter:   6  21:26:18  -4.41  -3.53  -413.190098    2      1      
iter:   7  21:28:16  -4.77  -3.75  -413.188784    3      1      
iter:   8  21:30:14  -5.08  -4.14  -413.188807    2      1      
iter:   9  21:32:11  -5.31  -4.21  -413.188693    2      1      
iter:  10  21:34:09  -5.77  -4.11  -413.188377    2      1      
iter:  11  21:36:07  -6.18  -4.03  -413.188752    2      1      
iter:  12  21:38:05  -6.69  -4.51  -413.188403    2      1      
iter:  13  21:40:02  -6.75  -4.46  -413.188667    2      1      
iter:  14  21:41:58  -6.73  -4.60  -413.188601    2      1      
iter:  15  21:43:49  -6.92  -4.79  -413.188635    2      1      
iter:  16  21:45:40  -7.35  -4.88  -413.188647    2      1      
iter:  17  21:47:31  -7.91  -5.11  -413.188598    2      1      

Converged after 17 iterations.

Dipole moment: (-55.960638, -32.507820, 0.118320) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +26.654592
Potential:     -141.937655
External:        +0.000000
XC:            -307.649255
Entropy (-ST):   -1.555539
Local:          +10.521490
--------------------------
Free energy:   -413.966367
Extrapolated:  -413.188598

Fermi level: -6.43640

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.49205    0.14125
  0   340     -6.48999    0.14019
  0   341     -6.47512    0.13236
  0   342     -6.44493    0.11584

  1   339     -6.41277    0.19609
  1   340     -6.36433    0.14544
  1   341     -6.33031    0.11428
  1   342     -6.32246    0.10774



Forces in eV/Ang:
  0 O     0.00000   -0.01824    1.17663
  1 Pt    0.00000   -0.00424   -0.38220
  2 Pt    0.00000   -0.01913   -0.43573
  3 O    -1.68222    0.00030   -0.71906
  4 O     1.68222    0.00030   -0.71906
  5 O     0.00000   -0.02139   -1.37552
  6 O     0.00000   -0.00189    1.76721
  7 Pt   -0.00000    0.01305    0.44852
  8 Pt    0.00000   -0.00401    0.71909
  9 O    -1.58128    0.00060    0.05862
 10 O     1.58128    0.00060    0.05862
 11 O     0.00000   -0.00806   -0.55869
 12 O    -0.00000    0.15390    0.21147
 13 Pt   -0.00000    0.32563    0.05803
 14 Pt    0.00000   -0.01466    0.01398
 15 O     0.01000    0.00752    0.00308
 16 O    -0.01000    0.00752    0.00308
 17 O     0.00000   -0.01295   -1.18899
 18 O    -0.00000    0.02409    0.03536
 19 Pt    0.00000   -0.01744    0.12977
 20 Pt    0.00000   -0.12956    0.27448
 21 O    -0.21725    0.38919    0.26085
 22 O     0.21725    0.38919    0.26085
 23 O     0.00000   -0.01789   -0.07416
 24 O     0.00000   -0.00199    1.15043
 25 Pt   -0.00000    0.02994   -0.38385
 26 Pt    0.00000   -0.00021   -0.43723
 27 O    -1.69189    0.01296   -0.71786
 28 O     1.69189    0.01296   -0.71786
 29 O    -0.00000    0.04625   -1.41117
 30 O     0.00000   -0.00520    1.83558
 31 Pt   -0.00000    0.01809    0.51187
 32 Pt    0.00000   -0.14181    0.63116
 33 O    -1.61420   -0.01789    0.06645
 34 O     1.61420   -0.01789    0.06645
 35 O     0.00000   -0.03267   -0.51815
 36 O    -0.00000    0.22916   -0.23281
 37 Pt    0.00000   -0.51191    0.03854
 38 Pt    0.00000   -0.00725   -0.00366
 39 O     0.00718    0.01351    0.00857
 40 O    -0.00718    0.01351    0.00857
 41 O    -0.00000    0.03697    0.70535
 42 O    -0.00000    0.04077   -0.03088
 43 Pt    0.00000   -0.04318   -0.01116
 44 Pt   -0.00000    0.45123   -1.54222
 45 O     0.18736   -0.81130   -0.57111
 46 O    -0.18736   -0.81130   -0.57111
 47 O     0.00000   -0.02885   -0.02045
 48 O    -0.00000    0.02409    1.17432
 49 Pt    0.00000   -0.03372   -0.38123
 50 Pt   -0.00000    0.02125   -0.43653
 51 O    -1.69099   -0.01357   -0.71843
 52 O     1.69099   -0.01357   -0.71843
 53 O     0.00000   -0.00170   -1.39982
 54 O     0.00000   -0.00222    1.77431
 55 Pt    0.00000   -0.01042    0.51915
 56 Pt   -0.00000    0.08617    0.62979
 57 O    -1.61287    0.01300    0.08763
 58 O     1.61287    0.01300    0.08763
 59 O     0.00000   -0.02197   -0.51190
 60 O     0.00000   -0.36334   -0.07735
 61 Pt   -0.00000    0.19381   -0.04983
 62 Pt   -0.00000    0.01432   -0.00378
 63 O    -0.01526   -0.00664   -0.00102
 64 O     0.01526   -0.00664   -0.00102
 65 O     0.00000    0.00877    0.01768
 66 O     0.00000   -0.03183    0.00624
 67 Pt   -0.00000    0.04529   -0.16596
 68 Pt   -0.00000    0.24170   -0.03889
 69 O     0.24221    0.37973   -0.26408
 70 O    -0.24221    0.37973   -0.26408
 71 O    -0.00000    0.01174   -0.03134
 72 N     0.00000   -0.41273    1.15289
 73 N     0.00000   -0.19803    1.92778

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
          O      ON  PtO           
            Pt                     
        O          PtO             
         PtO PO      O             
                Pt O               
       Pt   O  O  O Pt   O         
           PtO  O                  
            O     Pt PtO           
        Pt O                       
          O Pt Pt   O  O           
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.646647   23.108281    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.584408   23.454802    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:51:53  -2.50   +inf  -413.281957    3      1      
iter:   2  21:53:51  -3.34  -3.18  -413.405352    3      1      
iter:   3  21:55:49  -3.80  -2.54  -413.279255    3      1      
iter:   4  21:57:46  -4.25  -3.28  -413.279467    3      1      
iter:   5  21:59:44  -4.37  -3.61  -413.275142    3      1      
iter:   6  22:01:43  -4.42  -3.64  -413.275027    3      1      
iter:   7  22:03:41  -4.72  -3.85  -413.275182    2      1      
iter:   8  22:05:40  -5.03  -4.09  -413.274682    3      1      
iter:   9  22:07:37  -5.23  -4.27  -413.274732    2      1      
iter:  10  22:09:34  -5.81  -4.11  -413.275068    2      1      
iter:  11  22:11:32  -6.16  -4.16  -413.274634    2      1      
iter:  12  22:13:30  -6.67  -4.40  -413.274910    2      1      
iter:  13  22:15:28  -6.71  -4.57  -413.274711    2      1      
iter:  14  22:17:25  -6.83  -4.44  -413.274829    2      1      
iter:  15  22:19:15  -7.02  -4.75  -413.274767    2      1      
iter:  16  22:21:06  -7.32  -4.82  -413.274730    2      1      
iter:  17  22:22:57  -7.68  -4.61  -413.274881    2      1      

Converged after 17 iterations.

Dipole moment: (-55.960614, -32.506425, 0.121840) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +26.010064
Potential:     -141.508409
External:        +0.000000
XC:            -307.518230
Entropy (-ST):   -1.555748
Local:          +10.519568
--------------------------
Free energy:   -414.052755
Extrapolated:  -413.274881

Fermi level: -6.43375

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.48932    0.14121
  0   340     -6.48728    0.14016
  0   341     -6.47248    0.13236
  0   342     -6.44237    0.11590

  1   339     -6.40987    0.19582
  1   340     -6.36159    0.14536
  1   341     -6.32757    0.11421
  1   342     -6.31934    0.10737



Forces in eV/Ang:
  0 O     0.00000   -0.01815    1.17690
  1 Pt    0.00000   -0.00422   -0.38260
  2 Pt    0.00000   -0.01909   -0.43626
  3 O    -1.68334    0.00031   -0.71917
  4 O     1.68334    0.00031   -0.71917
  5 O     0.00000   -0.02130   -1.37595
  6 O     0.00000   -0.00191    1.76334
  7 Pt   -0.00000    0.01306    0.44696
  8 Pt    0.00000   -0.00452    0.71841
  9 O    -1.58091    0.00063    0.05769
 10 O     1.58091    0.00063    0.05769
 11 O     0.00000   -0.00811   -0.55932
 12 O    -0.00000    0.15055    0.20833
 13 Pt   -0.00000    0.32482    0.05474
 14 Pt    0.00000   -0.01489    0.01399
 15 O     0.01000    0.00754    0.00274
 16 O    -0.01000    0.00754    0.00274
 17 O     0.00000   -0.01008   -1.18964
 18 O    -0.00000    0.02422    0.03576
 19 Pt    0.00000   -0.01761    0.13119
 20 Pt    0.00000   -0.11327    0.27575
 21 O    -0.21794    0.38990    0.25968
 22 O     0.21794    0.38990    0.25968
 23 O     0.00000   -0.01752   -0.07390
 24 O     0.00000   -0.00201    1.15077
 25 Pt   -0.00000    0.02936   -0.38442
 26 Pt    0.00000   -0.00021   -0.43787
 27 O    -1.69298    0.01296   -0.71794
 28 O     1.69298    0.01296   -0.71794
 29 O    -0.00000    0.04633   -1.40992
 30 O     0.00000   -0.00517    1.83172
 31 Pt   -0.00000    0.01819    0.51004
 32 Pt    0.00000   -0.14217    0.62767
 33 O    -1.61397   -0.01804    0.06601
 34 O     1.61397   -0.01804    0.06601
 35 O     0.00000   -0.03265   -0.51887
 36 O    -0.00000    0.22831   -0.22777
 37 Pt    0.00000   -0.51538    0.03409
 38 Pt    0.00000   -0.00706   -0.00415
 39 O     0.00786    0.01336    0.00860
 40 O    -0.00786    0.01336    0.00860
 41 O    -0.00000    0.02635    0.71946
 42 O    -0.00000    0.04036   -0.02974
 43 Pt    0.00000   -0.04256   -0.01672
 44 Pt   -0.00000    0.39601   -1.39367
 45 O     0.15473   -0.80069   -0.50647
 46 O    -0.15473   -0.80069   -0.50647
 47 O     0.00000   -0.02904   -0.02055
 48 O    -0.00000    0.02401    1.17461
 49 Pt    0.00000   -0.03318   -0.38192
 50 Pt   -0.00000    0.02121   -0.43712
 51 O    -1.69208   -0.01358   -0.71848
 52 O     1.69208   -0.01358   -0.71848
 53 O     0.00000   -0.00177   -1.40031
 54 O     0.00000   -0.00222    1.77049
 55 Pt    0.00000   -0.01056    0.51730
 56 Pt   -0.00000    0.08686    0.62921
 57 O    -1.61266    0.01317    0.08719
 58 O     1.61266    0.01317    0.08719
 59 O     0.00000   -0.02195   -0.51237
 60 O     0.00000   -0.35948   -0.07910
 61 Pt   -0.00000    0.19823   -0.05337
 62 Pt   -0.00000    0.01437   -0.00376
 63 O    -0.01445   -0.00654   -0.00105
 64 O     0.01445   -0.00654   -0.00105
 65 O     0.00000    0.00911    0.01636
 66 O     0.00000   -0.03185    0.00611
 67 Pt   -0.00000    0.04597   -0.16612
 68 Pt   -0.00000    0.23836   -0.03527
 69 O     0.23728    0.37184   -0.26023
 70 O    -0.23728    0.37184   -0.26023
 71 O    -0.00000    0.01194   -0.03153
 72 N     0.00000   -0.31083    1.13606
 73 N     0.00000   -0.23387    1.91096

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
          O      ON  PtO           
            Pt                     
        O          PtO             
         PtO PO      O             
                Pt O               
       Pt   O  O  O Pt   O         
           PtO  O                  
            O     Pt PtO           
        Pt O                       
          O Pt Pt   O  O           
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.653240   23.126541    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.597910   23.492454    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:27:18  -2.51   +inf  -413.365113    2      1      
iter:   2  22:29:16  -3.24  -2.95  -413.778113    3      1      
iter:   3  22:31:12  -3.64  -2.30  -413.368276    2      1      
iter:   4  22:33:10  -4.16  -3.17  -413.356413    3      1      
iter:   5  22:35:08  -4.50  -3.53  -413.355395    3      1      
iter:   6  22:37:06  -4.37  -3.62  -413.354904    3      1      
iter:   7  22:39:04  -4.55  -3.47  -413.352899    3      1      
iter:   8  22:41:01  -5.00  -3.99  -413.353507    2      1      
iter:   9  22:43:00  -5.46  -4.17  -413.352433    3      1      
iter:  10  22:44:58  -5.74  -4.07  -413.353412    2      1      
iter:  11  22:46:57  -5.88  -4.08  -413.353197    1      1      
iter:  12  22:48:55  -6.37  -4.12  -413.353096    2      1      
iter:  13  22:50:51  -6.70  -4.49  -413.353197    2      1      
iter:  14  22:52:47  -6.67  -4.42  -413.353156    2      1      
iter:  15  22:54:38  -6.75  -4.74  -413.353282    2      1      
iter:  16  22:56:30  -7.16  -4.87  -413.353065    2      1      
iter:  17  22:58:20  -7.59  -4.94  -413.353149    2      1      

Converged after 17 iterations.

Dipole moment: (-55.960628, -32.505150, 0.125394) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +25.135808
Potential:     -140.874989
External:        +0.000000
XC:            -307.357768
Entropy (-ST):   -1.556454
Local:          +10.522027
--------------------------
Free energy:   -414.131375
Extrapolated:  -413.353149

Fermi level: -6.42994

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.48584    0.14138
  0   340     -6.48381    0.14034
  0   341     -6.46845    0.13224
  0   342     -6.43827    0.11574

  1   339     -6.40637    0.19615
  1   340     -6.35789    0.14546
  1   341     -6.32378    0.11422
  1   342     -6.31515    0.10705



Forces in eV/Ang:
  0 O     0.00000   -0.01809    1.17613
  1 Pt    0.00000   -0.00418   -0.38120
  2 Pt    0.00000   -0.01906   -0.43563
  3 O    -1.68132    0.00032   -0.71955
  4 O     1.68132    0.00032   -0.71955
  5 O     0.00000   -0.02120   -1.37710
  6 O     0.00000   -0.00206    1.77055
  7 Pt   -0.00000    0.01310    0.44941
  8 Pt    0.00000   -0.00526    0.72113
  9 O    -1.58103    0.00065    0.05762
 10 O     1.58103    0.00065    0.05762
 11 O     0.00000   -0.00819   -0.55946
 12 O    -0.00000    0.14734    0.20574
 13 Pt   -0.00000    0.32376    0.05276
 14 Pt    0.00000   -0.01506    0.01481
 15 O     0.00924    0.00779    0.00313
 16 O    -0.00924    0.00779    0.00313
 17 O     0.00000   -0.00872   -1.18821
 18 O    -0.00000    0.02399    0.03552
 19 Pt    0.00000   -0.01768    0.13227
 20 Pt    0.00000   -0.10139    0.27731
 21 O    -0.21909    0.39115    0.25907
 22 O     0.21909    0.39115    0.25907
 23 O     0.00000   -0.01808   -0.07288
 24 O     0.00000   -0.00204    1.15017
 25 Pt   -0.00000    0.02875   -0.38323
 26 Pt    0.00000   -0.00021   -0.43736
 27 O    -1.69093    0.01298   -0.71837
 28 O     1.69093    0.01298   -0.71837
 29 O    -0.00000    0.04638   -1.40987
 30 O     0.00000   -0.00510    1.83902
 31 Pt   -0.00000    0.01840    0.51235
 32 Pt    0.00000   -0.14242    0.62743
 33 O    -1.61421   -0.01809    0.06644
 34 O     1.61421   -0.01809    0.06644
 35 O     0.00000   -0.03262   -0.51885
 36 O    -0.00000    0.22774   -0.22337
 37 Pt    0.00000   -0.51795    0.03100
 38 Pt    0.00000   -0.00697   -0.00418
 39 O     0.00740    0.01331    0.00954
 40 O    -0.00740    0.01331    0.00954
 41 O    -0.00000    0.01825    0.72783
 42 O    -0.00000    0.04010   -0.02957
 43 Pt    0.00000   -0.04275   -0.02282
 44 Pt   -0.00000    0.34767   -1.24728
 45 O     0.13212   -0.79432   -0.45838
 46 O    -0.13212   -0.79432   -0.45838
 47 O     0.00000   -0.02809   -0.01868
 48 O    -0.00000    0.02396    1.17386
 49 Pt    0.00000   -0.03263   -0.38083
 50 Pt   -0.00000    0.02118   -0.43651
 51 O    -1.69002   -0.01360   -0.71888
 52 O     1.69002   -0.01360   -0.71888
 53 O     0.00000   -0.00182   -1.40145
 54 O     0.00000   -0.00214    1.77781
 55 Pt    0.00000   -0.01082    0.51955
 56 Pt   -0.00000    0.08770    0.63199
 57 O    -1.61296    0.01322    0.08758
 58 O     1.61296    0.01322    0.08758
 59 O     0.00000   -0.02191   -0.51234
 60 O     0.00000   -0.35596   -0.08007
 61 Pt   -0.00000    0.20195   -0.05569
 62 Pt   -0.00000    0.01447   -0.00304
 63 O    -0.01463   -0.00676   -0.00031
 64 O     0.01463   -0.00676   -0.00031
 65 O     0.00000    0.00919    0.01899
 66 O     0.00000   -0.03171    0.00558
 67 Pt   -0.00000    0.04718   -0.16543
 68 Pt   -0.00000    0.23480   -0.03125
 69 O     0.23050    0.36253   -0.25745
 70 O    -0.23050    0.36253   -0.25745
 71 O    -0.00000    0.01213   -0.03071
 72 N     0.00000   -0.34387    0.91535
 73 N     0.00000   -0.07078    1.61816

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O       N  Pt            
            Pt   O     O           
                   PtO             
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  PtO       O             
            O   O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.658627   23.144448    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.611643   23.530023    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:02:42  -2.52   +inf  -413.459151    3      1      
iter:   2  23:04:41  -3.11  -2.82  -414.441061    3      1      
iter:   3  23:06:39  -3.53  -2.11  -413.434923    3      1      
iter:   4  23:08:37  -4.04  -3.11  -413.430185    3      1      
iter:   5  23:10:35  -4.36  -3.52  -413.426053    3      1      
iter:   6  23:12:33  -4.31  -3.68  -413.426818    3      1      
iter:   7  23:14:31  -4.50  -3.56  -413.426064    3      1      
iter:   8  23:16:29  -4.99  -3.73  -413.425788    2      1      
iter:   9  23:18:26  -5.42  -3.97  -413.426027    2      1      
iter:  10  23:20:24  -5.58  -3.79  -413.425426    2      1      
iter:  11  23:22:23  -5.87  -4.01  -413.425733    2      1      
iter:  12  23:24:20  -6.41  -4.25  -413.425162    2      1      
iter:  13  23:26:16  -6.55  -4.40  -413.425526    2      1      
iter:  14  23:28:13  -6.55  -4.52  -413.425527    2      1      
iter:  15  23:30:04  -6.76  -4.50  -413.425547    2      1      
iter:  16  23:31:55  -7.18  -4.50  -413.425567    2      1      
iter:  17  23:33:46  -7.43  -4.68  -413.425494    2      1      

Converged after 17 iterations.

Dipole moment: (-55.960660, -32.504013, 0.129207) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +24.579510
Potential:     -140.503410
External:        +0.000000
XC:            -307.244403
Entropy (-ST):   -1.556815
Local:          +10.521217
--------------------------
Free energy:   -414.203901
Extrapolated:  -413.425494

Fermi level: -6.42665

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.48257    0.14139
  0   340     -6.48057    0.14036
  0   341     -6.46528    0.13231
  0   342     -6.43487    0.11567

  1   339     -6.40305    0.19611
  1   340     -6.35453    0.14539
  1   341     -6.32040    0.11415
  1   342     -6.31152    0.10678



Forces in eV/Ang:
  0 O     0.00000   -0.01801    1.17585
  1 Pt    0.00000   -0.00414   -0.38070
  2 Pt    0.00000   -0.01901   -0.43521
  3 O    -1.68118    0.00033   -0.71928
  4 O     1.68118    0.00033   -0.71928
  5 O     0.00000   -0.02105   -1.37712
  6 O     0.00000   -0.00203    1.77186
  7 Pt   -0.00000    0.01313    0.45025
  8 Pt    0.00000   -0.00587    0.72229
  9 O    -1.58095    0.00065    0.05839
 10 O     1.58095    0.00065    0.05839
 11 O     0.00000   -0.00822   -0.55934
 12 O    -0.00000    0.14398    0.20328
 13 Pt   -0.00000    0.32304    0.04999
 14 Pt    0.00000   -0.01534    0.01472
 15 O     0.00880    0.00791    0.00353
 16 O    -0.00880    0.00791    0.00353
 17 O     0.00000   -0.00639   -1.18888
 18 O    -0.00000    0.02376    0.03546
 19 Pt    0.00000   -0.01785    0.13314
 20 Pt    0.00000   -0.09126    0.27712
 21 O    -0.21960    0.39187    0.25870
 22 O     0.21960    0.39187    0.25870
 23 O     0.00000   -0.01761   -0.07210
 24 O     0.00000   -0.00204    1.15000
 25 Pt   -0.00000    0.02819   -0.38287
 26 Pt    0.00000   -0.00022   -0.43705
 27 O    -1.69076    0.01300   -0.71807
 28 O     1.69076    0.01300   -0.71807
 29 O    -0.00000    0.04639   -1.40848
 30 O     0.00000   -0.00507    1.84025
 31 Pt   -0.00000    0.01846    0.51287
 32 Pt    0.00000   -0.14257    0.62594
 33 O    -1.61419   -0.01833    0.06765
 34 O     1.61419   -0.01833    0.06765
 35 O     0.00000   -0.03260   -0.51885
 36 O    -0.00000    0.22729   -0.21797
 37 Pt    0.00000   -0.52079    0.02697
 38 Pt    0.00000   -0.00673   -0.00465
 39 O     0.00777    0.01307    0.01052
 40 O    -0.00777    0.01307    0.01052
 41 O    -0.00000    0.01155    0.73495
 42 O    -0.00000    0.03983   -0.02879
 43 Pt    0.00000   -0.04211   -0.02659
 44 Pt   -0.00000    0.30180   -1.12480
 45 O     0.10715   -0.78578   -0.40489
 46 O    -0.10715   -0.78578   -0.40489
 47 O     0.00000   -0.02814   -0.01797
 48 O    -0.00000    0.02387    1.17360
 49 Pt    0.00000   -0.03211   -0.38059
 50 Pt   -0.00000    0.02114   -0.43614
 51 O    -1.68985   -0.01363   -0.71856
 52 O     1.68985   -0.01363   -0.71856
 53 O     0.00000   -0.00194   -1.40147
 54 O     0.00000   -0.00219    1.77922
 55 Pt    0.00000   -0.01091    0.52005
 56 Pt   -0.00000    0.08842    0.63328
 57 O    -1.61300    0.01348    0.08879
 58 O     1.61300    0.01348    0.08879
 59 O     0.00000   -0.02190   -0.51202
 60 O     0.00000   -0.35217   -0.08132
 61 Pt   -0.00000    0.20477   -0.05865
 62 Pt   -0.00000    0.01452   -0.00307
 63 O    -0.01421   -0.00667    0.00056
 64 O     0.01421   -0.00667    0.00056
 65 O     0.00000    0.00923    0.01835
 66 O     0.00000   -0.03164    0.00517
 67 Pt   -0.00000    0.04768   -0.16502
 68 Pt   -0.00000    0.23147   -0.02832
 69 O     0.22584    0.35467   -0.25218
 70 O    -0.22584    0.35467   -0.25218
 71 O    -0.00000    0.01205   -0.03057
 72 N     0.00000   -0.27789    0.78077
 73 N     0.00000   -0.14127    1.51106

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O       N  Pt            
            Pt   O     O           
                   Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  PtO       O             
            O   O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.664232   23.162513    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.624897   23.567763    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:38:08  -2.50   +inf  -413.546499    3      1      
iter:   2  23:40:06  -2.95  -2.71  -415.245447    3      1      
iter:   3  23:42:03  -3.36  -2.00  -413.510299    3      1      
iter:   4  23:44:00  -3.84  -2.96  -413.495088    3      1      
iter:   5  23:45:58  -4.26  -3.48  -413.490954    3      1      
iter:   6  23:47:56  -4.29  -3.59  -413.490857    2      1      
iter:   7  23:49:55  -4.41  -3.68  -413.490377    3      1      
iter:   8  23:51:52  -4.90  -3.63  -413.490026    3      1      
iter:   9  23:53:50  -5.41  -4.15  -413.489962    2      1      
iter:  10  23:55:47  -5.59  -3.95  -413.489563    2      1      
iter:  11  23:57:45  -5.95  -4.28  -413.490069    2      1      
iter:  12  23:59:42  -6.47  -4.35  -413.489532    2      1      
iter:  13  00:01:39  -6.51  -4.47  -413.489826    2      1      
iter:  14  00:03:36  -6.62  -4.69  -413.489831    2      1      
iter:  15  00:05:27  -6.85  -4.46  -413.489839    2      1      
iter:  16  00:07:18  -7.03  -4.21  -413.489783    2      1      
iter:  17  00:09:09  -7.39  -4.94  -413.489693    2      1      
iter:  18  00:10:59  -7.62  -4.96  -413.489859    2      1      

Converged after 18 iterations.

Dipole moment: (-55.960688, -32.502946, 0.131968) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +23.930047
Potential:     -140.060588
External:        +0.000000
XC:            -307.104829
Entropy (-ST):   -1.556914
Local:          +10.523967
--------------------------
Free energy:   -414.268316
Extrapolated:  -413.489859

Fermi level: -6.42468

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.48053    0.14135
  0   340     -6.47855    0.14033
  0   341     -6.46353    0.13243
  0   342     -6.43293    0.11569

  1   339     -6.40089    0.19591
  1   340     -6.35248    0.14531
  1   341     -6.31834    0.11407
  1   342     -6.30919    0.10648



Forces in eV/Ang:
  0 O     0.00000   -0.01797    1.17578
  1 Pt    0.00000   -0.00411   -0.38107
  2 Pt    0.00000   -0.01900   -0.43608
  3 O    -1.68214    0.00033   -0.71937
  4 O     1.68214    0.00033   -0.71937
  5 O     0.00000   -0.02090   -1.37754
  6 O     0.00000   -0.00206    1.76884
  7 Pt   -0.00000    0.01317    0.44945
  8 Pt    0.00000   -0.00650    0.72225
  9 O    -1.58068    0.00067    0.05818
 10 O     1.58068    0.00067    0.05818
 11 O     0.00000   -0.00825   -0.55937
 12 O    -0.00000    0.14087    0.20089
 13 Pt   -0.00000    0.32249    0.04711
 14 Pt    0.00000   -0.01572    0.01501
 15 O     0.00871    0.00805    0.00373
 16 O    -0.00871    0.00805    0.00373
 17 O     0.00000   -0.00434   -1.19047
 18 O    -0.00000    0.02344    0.03596
 19 Pt    0.00000   -0.01806    0.13434
 20 Pt    0.00000   -0.08417    0.27368
 21 O    -0.21985    0.39280    0.25833
 22 O     0.21985    0.39280    0.25833
 23 O     0.00000   -0.01811   -0.07142
 24 O     0.00000   -0.00204    1.15003
 25 Pt   -0.00000    0.02766   -0.38329
 26 Pt    0.00000   -0.00021   -0.43798
 27 O    -1.69166    0.01300   -0.71815
 28 O     1.69166    0.01300   -0.71815
 29 O    -0.00000    0.04639   -1.40741
 30 O     0.00000   -0.00502    1.83737
 31 Pt   -0.00000    0.01863    0.51185
 32 Pt    0.00000   -0.14263    0.62309
 33 O    -1.61405   -0.01838    0.06785
 34 O     1.61405   -0.01838    0.06785
 35 O     0.00000   -0.03257   -0.51902
 36 O    -0.00000    0.22704   -0.21364
 37 Pt    0.00000   -0.52298    0.02343
 38 Pt    0.00000   -0.00651   -0.00485
 39 O     0.00830    0.01298    0.01115
 40 O    -0.00830    0.01298    0.01115
 41 O    -0.00000    0.00589    0.74221
 42 O    -0.00000    0.03975   -0.02786
 43 Pt    0.00000   -0.04188   -0.02994
 44 Pt   -0.00000    0.26136   -1.01604
 45 O     0.08490   -0.77678   -0.35871
 46 O    -0.08490   -0.77678   -0.35871
 47 O     0.00000   -0.02751   -0.01728
 48 O    -0.00000    0.02381    1.17354
 49 Pt    0.00000   -0.03162   -0.38113
 50 Pt   -0.00000    0.02113   -0.43707
 51 O    -1.69077   -0.01362   -0.71862
 52 O     1.69077   -0.01362   -0.71862
 53 O     0.00000   -0.00205   -1.40187
 54 O     0.00000   -0.00220    1.77622
 55 Pt    0.00000   -0.01113    0.51895
 56 Pt   -0.00000    0.08909    0.63332
 57 O    -1.61292    0.01353    0.08898
 58 O     1.61292    0.01353    0.08898
 59 O     0.00000   -0.02188   -0.51195
 60 O     0.00000   -0.34870   -0.08281
 61 Pt   -0.00000    0.20656   -0.06110
 62 Pt   -0.00000    0.01472   -0.00263
 63 O    -0.01361   -0.00674    0.00104
 64 O     0.01361   -0.00674    0.00104
 65 O     0.00000    0.00947    0.01663
 66 O     0.00000   -0.03162    0.00536
 67 Pt   -0.00000    0.04853   -0.16398
 68 Pt   -0.00000    0.22733   -0.02522
 69 O     0.21998    0.34599   -0.24823
 70 O    -0.21998    0.34599   -0.24823
 71 O    -0.00000    0.01223   -0.03035
 72 N     0.00000   -0.33286    0.77123
 73 N    -0.00000    0.02427    1.38393

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
                  N  Pt            
          O Pt   O     O           
                   Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.669221   23.180835    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.638496   23.605380    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:15:22  -2.49   +inf  -413.566270    3      1      
iter:   2  00:17:20  -3.17  -2.92  -414.173871    3      1      
iter:   3  00:19:17  -3.61  -2.21  -413.560851    3      1      
iter:   4  00:21:15  -4.12  -3.29  -413.553728    3      1      
iter:   5  00:23:13  -4.41  -3.42  -413.552876    2      1      
iter:   6  00:25:11  -4.36  -3.74  -413.551358    3      1      
iter:   7  00:27:09  -4.49  -3.84  -413.551024    3      1      
iter:   8  00:29:06  -4.99  -3.84  -413.550811    2      1      
iter:   9  00:31:04  -5.47  -4.05  -413.550189    2      1      
iter:  10  00:33:01  -5.80  -4.28  -413.551343    3      1      
iter:  11  00:34:50  -6.10  -4.14  -413.550655    2      1      
iter:  12  00:36:37  -6.40  -4.14  -413.550667    2      1      
iter:  13  00:38:25  -6.79  -4.46  -413.550663    2      1      
iter:  14  00:40:12  -6.81  -4.66  -413.550641    2      1      
iter:  15  00:41:58  -6.80  -4.70  -413.550766    2      1      
iter:  16  00:43:41  -7.41  -4.78  -413.550552    2      1      

Converged after 16 iterations.

Dipole moment: (-55.960758, -32.501979, 0.134221) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +23.442486
Potential:     -139.743775
External:        +0.000000
XC:            -306.994538
Entropy (-ST):   -1.557514
Local:          +10.524032
--------------------------
Free energy:   -414.329309
Extrapolated:  -413.550552

Fermi level: -6.42251

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.47824    0.14129
  0   340     -6.47627    0.14028
  0   341     -6.46181    0.13267
  0   342     -6.43093    0.11579

  1   339     -6.39898    0.19619
  1   340     -6.35009    0.14510
  1   341     -6.31616    0.11406
  1   342     -6.30692    0.10641



Forces in eV/Ang:
  0 O     0.00000   -0.01797    1.17546
  1 Pt    0.00000   -0.00407   -0.37975
  2 Pt    0.00000   -0.01903   -0.43510
  3 O    -1.68150    0.00034   -0.71942
  4 O     1.68150    0.00034   -0.71942
  5 O     0.00000   -0.02083   -1.37815
  6 O     0.00000   -0.00221    1.77031
  7 Pt   -0.00000    0.01325    0.45009
  8 Pt    0.00000   -0.00706    0.72391
  9 O    -1.58112    0.00072    0.05802
 10 O     1.58112    0.00072    0.05802
 11 O     0.00000   -0.00836   -0.55997
 12 O    -0.00000    0.13789    0.19820
 13 Pt   -0.00000    0.32198    0.04217
 14 Pt    0.00000   -0.01622    0.01327
 15 O     0.00803    0.00830    0.00355
 16 O    -0.00803    0.00830    0.00355
 17 O     0.00000   -0.00247   -1.19746
 18 O    -0.00000    0.02263    0.03571
 19 Pt    0.00000   -0.01841    0.13358
 20 Pt    0.00000   -0.08037    0.26596
 21 O    -0.21915    0.39363    0.25832
 22 O     0.21915    0.39363    0.25832
 23 O     0.00000   -0.01893   -0.06935
 24 O     0.00000   -0.00203    1.14978
 25 Pt   -0.00000    0.02717   -0.38197
 26 Pt    0.00000   -0.00020   -0.43697
 27 O    -1.69096    0.01299   -0.71820
 28 O     1.69096    0.01299   -0.71820
 29 O    -0.00000    0.04636   -1.40639
 30 O     0.00000   -0.00494    1.83937
 31 Pt   -0.00000    0.01892    0.51246
 32 Pt    0.00000   -0.14260    0.62209
 33 O    -1.61471   -0.01823    0.06809
 34 O     1.61471   -0.01823    0.06809
 35 O     0.00000   -0.03254   -0.51954
 36 O    -0.00000    0.22694   -0.21050
 37 Pt    0.00000   -0.52538    0.01801
 38 Pt    0.00000   -0.00629   -0.00766
 39 O     0.00785    0.01289    0.01138
 40 O    -0.00785    0.01289    0.01138
 41 O     0.00000    0.00170    0.75238
 42 O    -0.00000    0.03982   -0.02767
 43 Pt    0.00000   -0.04168   -0.03374
 44 Pt   -0.00000    0.22611   -0.92303
 45 O     0.06393   -0.76540   -0.31241
 46 O    -0.06393   -0.76540   -0.31241
 47 O     0.00000   -0.02673   -0.01447
 48 O    -0.00000    0.02378    1.17325
 49 Pt    0.00000   -0.03117   -0.37992
 50 Pt   -0.00000    0.02115   -0.43617
 51 O    -1.69008   -0.01361   -0.71865
 52 O     1.69008   -0.01361   -0.71865
 53 O     0.00000   -0.00210   -1.40247
 54 O     0.00000   -0.00215    1.77768
 55 Pt    0.00000   -0.01150    0.51941
 56 Pt   -0.00000    0.08968    0.63501
 57 O    -1.61365    0.01333    0.08913
 58 O     1.61365    0.01333    0.08913
 59 O     0.00000   -0.02182   -0.51245
 60 O     0.00000   -0.34539   -0.08438
 61 Pt   -0.00000    0.20816   -0.06513
 62 Pt   -0.00000    0.01504   -0.00421
 63 O    -0.01405   -0.00694    0.00109
 64 O     0.01405   -0.00694    0.00109
 65 O     0.00000    0.01029    0.00854
 66 O     0.00000   -0.03137    0.00497
 67 Pt   -0.00000    0.04947   -0.16361
 68 Pt   -0.00000    0.22274   -0.02380
 69 O     0.21399    0.33623   -0.24295
 70 O    -0.21399    0.33623   -0.24295
 71 O    -0.00000    0.01256   -0.02875
 72 N     0.00000   -0.35031    0.68711
 73 N    -0.00000    0.05020    1.33611

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
                  N  Pt            
          O Pt   O     O           
                   Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.673590   23.198760    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.651970   23.643043    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:47:40  -2.50   +inf  -413.615738    3      1      
iter:   2  00:49:28  -3.33  -3.20  -413.713758    3      1      
iter:   3  00:51:15  -3.81  -2.58  -413.604501    3      1      
iter:   4  00:53:03  -4.24  -3.39  -413.609688    3      1      
iter:   5  00:54:50  -4.51  -3.48  -413.606435    3      1      
iter:   6  00:56:37  -4.42  -3.90  -413.606797    3      1      
iter:   7  00:58:24  -4.56  -3.56  -413.606020    3      1      
iter:   8  01:00:12  -5.06  -4.17  -413.605925    2      1      
iter:   9  01:01:59  -5.52  -4.03  -413.605580    2      1      
iter:  10  01:03:46  -5.75  -4.31  -413.605771    2      1      
iter:  11  01:05:34  -6.15  -4.41  -413.605228    2      1      
iter:  12  01:07:21  -6.49  -4.37  -413.605723    2      1      
iter:  13  01:09:08  -6.66  -4.65  -413.605665    2      1      
iter:  14  01:10:54  -6.87  -4.38  -413.605678    2      1      
iter:  15  01:12:37  -7.16  -4.71  -413.605629    2      1      
iter:  16  01:14:19  -7.51  -4.87  -413.605607    2      1      

Converged after 16 iterations.

Dipole moment: (-55.960785, -32.501219, 0.138191) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +22.972287
Potential:     -139.433875
External:        +0.000000
XC:            -306.890127
Entropy (-ST):   -1.557488
Local:          +10.524853
--------------------------
Free energy:   -414.384351
Extrapolated:  -413.605607

Fermi level: -6.41950

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.47513    0.14124
  0   340     -6.47318    0.14024
  0   341     -6.45905    0.13280
  0   342     -6.42795    0.11580

  1   339     -6.39575    0.19595
  1   340     -6.34699    0.14501
  1   341     -6.31298    0.11392
  1   342     -6.30365    0.10619



Forces in eV/Ang:
  0 O     0.00000   -0.01786    1.17557
  1 Pt    0.00000   -0.00403   -0.38023
  2 Pt    0.00000   -0.01890   -0.43522
  3 O    -1.68236    0.00034   -0.71915
  4 O     1.68236    0.00034   -0.71915
  5 O     0.00000   -0.02061   -1.37828
  6 O     0.00000   -0.00218    1.76732
  7 Pt   -0.00000    0.01319    0.44911
  8 Pt    0.00000   -0.00782    0.72391
  9 O    -1.58081    0.00069    0.05747
 10 O     1.58081    0.00069    0.05747
 11 O     0.00000   -0.00833   -0.56057
 12 O    -0.00000    0.13504    0.19549
 13 Pt   -0.00000    0.32139    0.03930
 14 Pt    0.00000   -0.01647    0.01292
 15 O     0.00818    0.00831    0.00295
 16 O    -0.00818    0.00831    0.00295
 17 O     0.00000   -0.00065   -1.19740
 18 O    -0.00000    0.02260    0.03578
 19 Pt    0.00000   -0.01870    0.13459
 20 Pt    0.00000   -0.07606    0.26471
 21 O    -0.21996    0.39450    0.25772
 22 O     0.21996    0.39450    0.25772
 23 O     0.00000   -0.01831   -0.06855
 24 O     0.00000   -0.00200    1.15001
 25 Pt   -0.00000    0.02667   -0.38260
 26 Pt    0.00000   -0.00020   -0.43737
 27 O    -1.69185    0.01305   -0.71797
 28 O     1.69185    0.01305   -0.71797
 29 O    -0.00000    0.04627   -1.40558
 30 O     0.00000   -0.00499    1.83562
 31 Pt   -0.00000    0.01880    0.51107
 32 Pt    0.00000   -0.14257    0.61977
 33 O    -1.61439   -0.01859    0.06794
 34 O     1.61439   -0.01859    0.06794
 35 O     0.00000   -0.03253   -0.52018
 36 O    -0.00000    0.22681   -0.20625
 37 Pt    0.00000   -0.52726    0.01390
 38 Pt    0.00000   -0.00591   -0.00801
 39 O     0.00898    0.01277    0.01123
 40 O    -0.00898    0.01277    0.01123
 41 O     0.00000   -0.00094    0.75000
 42 O    -0.00000    0.03946   -0.02652
 43 Pt    0.00000   -0.04081   -0.03485
 44 Pt   -0.00000    0.19100   -0.83403
 45 O     0.04613   -0.75856   -0.27394
 46 O    -0.04613   -0.75856   -0.27394
 47 O     0.00000   -0.02669   -0.01425
 48 O    -0.00000    0.02362    1.17335
 49 Pt    0.00000   -0.03070   -0.38072
 50 Pt   -0.00000    0.02102   -0.43638
 51 O    -1.69098   -0.01368   -0.71840
 52 O     1.69098   -0.01368   -0.71840
 53 O     0.00000   -0.00222   -1.40253
 54 O     0.00000   -0.00211    1.77488
 55 Pt    0.00000   -0.01135    0.51810
 56 Pt   -0.00000    0.09049    0.63518
 57 O    -1.61339    0.01372    0.08901
 58 O     1.61339    0.01372    0.08901
 59 O     0.00000   -0.02184   -0.51278
 60 O     0.00000   -0.34213   -0.08614
 61 Pt   -0.00000    0.20903   -0.06826
 62 Pt   -0.00000    0.01494   -0.00456
 63 O    -0.01307   -0.00686    0.00084
 64 O     0.01307   -0.00686    0.00084
 65 O     0.00000    0.00993    0.00864
 66 O     0.00000   -0.03149    0.00486
 67 Pt   -0.00000    0.04960   -0.16234
 68 Pt   -0.00000    0.21942   -0.02131
 69 O     0.20929    0.32853   -0.23808
 70 O    -0.20929    0.32853   -0.23808
 71 O    -0.00000    0.01221   -0.02853
 72 N     0.00000   -0.30277    0.56906
 73 N    -0.00000    0.01039    1.17600

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
                  N  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.677699   23.216791    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.665018   23.680855    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:18:19  -2.49   +inf  -413.656874    3      1      
iter:   2  01:20:06  -3.36  -3.45  -413.671885    3      1      
iter:   3  01:21:53  -3.87  -3.01  -413.662696    2      1      
iter:   4  01:23:41  -4.29  -3.27  -413.657667    3      1      
iter:   5  01:25:28  -4.54  -3.57  -413.659494    3      1      
iter:   6  01:27:15  -4.42  -3.80  -413.657190    3      1      
iter:   7  01:29:02  -4.56  -3.65  -413.657236    2      1      
iter:   8  01:30:50  -5.02  -4.21  -413.656896    3      1      
iter:   9  01:32:37  -5.53  -4.10  -413.656956    2      1      
iter:  10  01:34:25  -6.00  -4.18  -413.657247    2      1      
iter:  11  01:36:12  -6.32  -4.28  -413.656662    2      1      
iter:  12  01:38:00  -6.67  -4.36  -413.656977    2      1      
iter:  13  01:39:47  -6.80  -4.50  -413.656891    2      1      
iter:  14  01:41:34  -6.79  -4.60  -413.656972    2      1      
iter:  15  01:43:17  -7.08  -4.82  -413.656908    2      1      
iter:  16  01:44:59  -7.37  -4.70  -413.656875    2      1      
iter:  17  01:46:41  -7.64  -4.65  -413.657028    2      1      

Converged after 17 iterations.

Dipole moment: (-55.960821, -32.500532, 0.140072) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +22.514085
Potential:     -139.139986
External:        +0.000000
XC:            -306.776522
Entropy (-ST):   -1.557374
Local:          +10.524082
--------------------------
Free energy:   -414.435715
Extrapolated:  -413.657028

Fermi level: -6.41800

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.47370    0.14128
  0   340     -6.47177    0.14028
  0   341     -6.45768    0.13287
  0   342     -6.42644    0.11580

  1   339     -6.39409    0.19578
  1   340     -6.34552    0.14504
  1   341     -6.31133    0.11379
  1   342     -6.30181    0.10592



Forces in eV/Ang:
  0 O     0.00000   -0.01785    1.17567
  1 Pt    0.00000   -0.00399   -0.38054
  2 Pt    0.00000   -0.01894   -0.43583
  3 O    -1.68278    0.00035   -0.71949
  4 O     1.68278    0.00035   -0.71949
  5 O     0.00000   -0.02050   -1.37924
  6 O     0.00000   -0.00224    1.76575
  7 Pt   -0.00000    0.01323    0.44833
  8 Pt    0.00000   -0.00851    0.72418
  9 O    -1.58058    0.00069    0.05668
 10 O     1.58058    0.00069    0.05668
 11 O     0.00000   -0.00834   -0.56076
 12 O    -0.00000    0.13195    0.19312
 13 Pt   -0.00000    0.32109    0.03780
 14 Pt    0.00000   -0.01649    0.01385
 15 O     0.00831    0.00851    0.00314
 16 O    -0.00831    0.00851    0.00314
 17 O     0.00000    0.00097   -1.19592
 18 O    -0.00000    0.02163    0.03571
 19 Pt    0.00000   -0.01866    0.13567
 20 Pt    0.00000   -0.07380    0.26124
 21 O    -0.22076    0.39570    0.25739
 22 O     0.22076    0.39570    0.25739
 23 O     0.00000   -0.01851   -0.06832
 24 O     0.00000   -0.00198    1.15014
 25 Pt   -0.00000    0.02621   -0.38300
 26 Pt    0.00000   -0.00020   -0.43803
 27 O    -1.69222    0.01301   -0.71828
 28 O     1.69222    0.01301   -0.71828
 29 O    -0.00000    0.04624   -1.40516
 30 O     0.00000   -0.00491    1.83442
 31 Pt   -0.00000    0.01902    0.51042
 32 Pt    0.00000   -0.14242    0.61786
 33 O    -1.61418   -0.01862    0.06760
 34 O     1.61418   -0.01862    0.06760
 35 O     0.00000   -0.03253   -0.52040
 36 O    -0.00000    0.22671   -0.20260
 37 Pt    0.00000   -0.52938    0.01047
 38 Pt    0.00000   -0.00579   -0.00770
 39 O     0.00937    0.01274    0.01174
 40 O    -0.00937    0.01274    0.01174
 41 O     0.00000   -0.00303    0.75167
 42 O    -0.00000    0.03955   -0.02588
 43 Pt    0.00000   -0.03991   -0.03456
 44 Pt   -0.00000    0.15818   -0.75510
 45 O     0.02688   -0.74848   -0.23210
 46 O    -0.02688   -0.74848   -0.23210
 47 O     0.00000   -0.02653   -0.01494
 48 O    -0.00000    0.02358    1.17347
 49 Pt    0.00000   -0.03027   -0.38119
 50 Pt   -0.00000    0.02106   -0.43703
 51 O    -1.69135   -0.01364   -0.71867
 52 O     1.69135   -0.01364   -0.71867
 53 O     0.00000   -0.00233   -1.40335
 54 O     0.00000   -0.00211    1.77345
 55 Pt    0.00000   -0.01162    0.51727
 56 Pt   -0.00000    0.09111    0.63538
 57 O    -1.61327    0.01375    0.08860
 58 O     1.61327    0.01375    0.08860
 59 O     0.00000   -0.02183   -0.51298
 60 O     0.00000   -0.33860   -0.08775
 61 Pt   -0.00000    0.20963   -0.07018
 62 Pt   -0.00000    0.01490   -0.00350
 63 O    -0.01265   -0.00706    0.00119
 64 O     0.01265   -0.00706    0.00119
 65 O     0.00000    0.01026    0.01112
 66 O     0.00000   -0.03110    0.00450
 67 Pt   -0.00000    0.04930   -0.16052
 68 Pt   -0.00000    0.21632   -0.01915
 69 O     0.20365    0.31956   -0.23223
 70 O    -0.20365    0.31956   -0.23223
 71 O    -0.00000    0.01253   -0.02886
 72 N     0.00000   -0.31061    0.62035
 73 N    -0.00000    0.14790    1.06626

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
                  N  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.681637   23.235453    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.678415   23.718544    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:50:41  -2.48   +inf  -413.699346    3      1      
iter:   2  01:52:29  -3.33  -3.27  -413.745037    3      1      
iter:   3  01:54:16  -3.82  -2.85  -413.713547    3      1      
iter:   4  01:56:03  -4.25  -3.18  -413.705164    3      1      
iter:   5  01:57:51  -4.49  -3.44  -413.703106    3      1      
iter:   6  01:59:39  -4.31  -3.85  -413.702821    3      1      
iter:   7  02:01:27  -4.72  -4.07  -413.702221    3      1      
iter:   8  02:03:15  -5.06  -3.80  -413.702208    2      1      
iter:   9  02:05:03  -5.43  -4.11  -413.701481    2      1      
iter:  10  02:06:51  -5.91  -4.17  -413.702613    3      1      
iter:  11  02:08:39  -6.11  -4.17  -413.701942    2      1      
iter:  12  02:10:27  -6.46  -4.64  -413.701926    2      1      
iter:  13  02:12:15  -6.73  -4.51  -413.702102    2      1      
iter:  14  02:14:03  -6.86  -4.44  -413.701976    2      1      
iter:  15  02:15:50  -7.10  -4.66  -413.702089    2      1      
iter:  16  02:17:33  -7.49  -4.92  -413.701848    2      1      

Converged after 16 iterations.

Dipole moment: (-55.960894, -32.499921, 0.141888) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +22.101730
Potential:     -138.872714
External:        +0.000000
XC:            -306.677191
Entropy (-ST):   -1.557940
Local:          +10.525297
--------------------------
Free energy:   -414.480818
Extrapolated:  -413.701848

Fermi level: -6.41555

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.47146    0.14139
  0   340     -6.46955    0.14040
  0   341     -6.45540    0.13296
  0   342     -6.42407    0.11584

  1   339     -6.39210    0.19628
  1   340     -6.34306    0.14502
  1   341     -6.30891    0.11381
  1   342     -6.29929    0.10586



Forces in eV/Ang:
  0 O     0.00000   -0.01786    1.17505
  1 Pt    0.00000   -0.00394   -0.37858
  2 Pt    0.00000   -0.01898   -0.43434
  3 O    -1.68042    0.00034   -0.71954
  4 O     1.68042    0.00034   -0.71954
  5 O     0.00000   -0.02030   -1.37991
  6 O     0.00000   -0.00224    1.77403
  7 Pt   -0.00000    0.01330    0.45157
  8 Pt    0.00000   -0.00915    0.72762
  9 O    -1.58100    0.00073    0.05719
 10 O     1.58100    0.00073    0.05719
 11 O     0.00000   -0.00840   -0.56089
 12 O    -0.00000    0.12865    0.19065
 13 Pt   -0.00000    0.32069    0.03464
 14 Pt    0.00000   -0.01704    0.01280
 15 O     0.00703    0.00876    0.00304
 16 O    -0.00703    0.00876    0.00304
 17 O     0.00000    0.00215   -1.19819
 18 O    -0.00000    0.02115    0.03511
 19 Pt    0.00000   -0.01900    0.13478
 20 Pt    0.00000   -0.07267    0.25471
 21 O    -0.22065    0.39681    0.25760
 22 O     0.22065    0.39681    0.25760
 23 O     0.00000   -0.01913   -0.06693
 24 O     0.00000   -0.00194    1.14963
 25 Pt   -0.00000    0.02576   -0.38098
 26 Pt    0.00000   -0.00018   -0.43650
 27 O    -1.68979    0.01301   -0.71833
 28 O     1.68979    0.01301   -0.71833
 29 O    -0.00000    0.04613   -1.40447
 30 O     0.00000   -0.00486    1.84301
 31 Pt   -0.00000    0.01916    0.51343
 32 Pt    0.00000   -0.14225    0.61868
 33 O    -1.61476   -0.01861    0.06844
 34 O     1.61476   -0.01861    0.06844
 35 O     0.00000   -0.03250   -0.52051
 36 O    -0.00000    0.22682   -0.19930
 37 Pt    0.00000   -0.53060    0.00714
 38 Pt    0.00000   -0.00559   -0.00929
 39 O     0.00871    0.01259    0.01234
 40 O    -0.00871    0.01259    0.01234
 41 O     0.00000   -0.00373    0.75515
 42 O    -0.00000    0.03955   -0.02620
 43 Pt    0.00000   -0.03981   -0.03596
 44 Pt   -0.00000    0.13022   -0.68573
 45 O     0.01089   -0.73873   -0.19731
 46 O    -0.01089   -0.73873   -0.19731
 47 O     0.00000   -0.02580   -0.01344
 48 O    -0.00000    0.02355    1.17285
 49 Pt    0.00000   -0.02987   -0.37928
 50 Pt   -0.00000    0.02107   -0.43563
 51 O    -1.68895   -0.01363   -0.71872
 52 O     1.68895   -0.01363   -0.71872
 53 O     0.00000   -0.00247   -1.40390
 54 O     0.00000   -0.00217    1.78165
 55 Pt    0.00000   -0.01183    0.52017
 56 Pt   -0.00000    0.09171    0.63883
 57 O    -1.61393    0.01368    0.08939
 58 O     1.61393    0.01368    0.08939
 59 O     0.00000   -0.02181   -0.51295
 60 O     0.00000   -0.33519   -0.08912
 61 Pt   -0.00000    0.20942   -0.07224
 62 Pt   -0.00000    0.01526   -0.00429
 63 O    -0.01330   -0.00720    0.00152
 64 O     0.01330   -0.00720    0.00152
 65 O     0.00000    0.01050    0.00901
 66 O     0.00000   -0.03112    0.00389
 67 Pt   -0.00000    0.05005   -0.15971
 68 Pt   -0.00000    0.21206   -0.01850
 69 O     0.19712    0.30977   -0.22677
 70 O    -0.19712    0.30977   -0.22677
 71 O    -0.00000    0.01259   -0.02807
 72 N     0.00000   -0.33779    0.60009
 73 N    -0.00000    0.07278    0.86503

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.685716   23.254863    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.691834   23.756227    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:21:33  -2.48   +inf  -413.827066    3      1      
iter:   2  02:23:21  -2.87  -2.66  -415.918032    3      1      
iter:   3  02:25:09  -3.29  -1.95  -413.769206    3      1      
iter:   4  02:26:57  -3.73  -2.88  -413.752266    3      1      
iter:   5  02:28:45  -4.28  -3.36  -413.747809    3      1      
iter:   6  02:30:33  -4.32  -3.56  -413.745667    2      1      
iter:   7  02:32:21  -4.43  -3.72  -413.746140    3      1      
iter:   8  02:34:09  -4.75  -3.53  -413.745636    3      1      
iter:   9  02:35:57  -5.36  -4.19  -413.745370    2      1      
iter:  10  02:37:44  -5.77  -4.17  -413.745249    2      1      
iter:  11  02:39:31  -6.03  -4.40  -413.745083    2      1      
iter:  12  02:41:19  -6.40  -4.29  -413.745639    2      1      
iter:  13  02:43:07  -6.54  -4.36  -413.745106    2      1      
iter:  14  02:44:55  -6.85  -4.59  -413.745304    2      1      
iter:  15  02:46:43  -6.76  -4.29  -413.745177    2      1      
iter:  16  02:48:25  -7.12  -4.60  -413.745157    2      1      
iter:  17  02:50:08  -7.28  -4.94  -413.745218    2      1      
iter:  18  02:51:51  -7.30  -5.13  -413.745154    2      1      
iter:  19  02:53:33  -7.67  -5.13  -413.745262    2      1      

Converged after 19 iterations.

Dipole moment: (-55.960930, -32.499378, 0.144938) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +21.762355
Potential:     -138.675337
External:        +0.000000
XC:            -306.580333
Entropy (-ST):   -1.557636
Local:          +10.526870
--------------------------
Free energy:   -414.524081
Extrapolated:  -413.745262

Fermi level: -6.41361

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46932    0.14129
  0   340     -6.46743    0.14031
  0   341     -6.45377    0.13313
  0   342     -6.42247    0.11603

  1   339     -6.38973    0.19581
  1   340     -6.34100    0.14491
  1   341     -6.30677    0.11365
  1   342     -6.29705    0.10562



Forces in eV/Ang:
  0 O     0.00000   -0.01778    1.17552
  1 Pt    0.00000   -0.00388   -0.37949
  2 Pt    0.00000   -0.01891   -0.43471
  3 O    -1.68264    0.00034   -0.71927
  4 O     1.68264    0.00034   -0.71927
  5 O     0.00000   -0.02006   -1.38006
  6 O     0.00000   -0.00210    1.76716
  7 Pt   -0.00000    0.01328    0.44893
  8 Pt    0.00000   -0.00992    0.72633
  9 O    -1.58066    0.00067    0.05656
 10 O     1.58066    0.00067    0.05656
 11 O     0.00000   -0.00834   -0.56128
 12 O    -0.00000    0.12555    0.18811
 13 Pt   -0.00000    0.32055    0.03212
 14 Pt    0.00000   -0.01733    0.01312
 15 O     0.00745    0.00880    0.00313
 16 O    -0.00745    0.00880    0.00313
 17 O     0.00000    0.00329   -1.19885
 18 O    -0.00000    0.02055    0.03583
 19 Pt    0.00000   -0.01900    0.13514
 20 Pt    0.00000   -0.06888    0.25733
 21 O    -0.22079    0.39778    0.25750
 22 O     0.22079    0.39778    0.25750
 23 O     0.00000   -0.01812   -0.06702
 24 O     0.00000   -0.00191    1.15016
 25 Pt   -0.00000    0.02530   -0.38198
 26 Pt    0.00000   -0.00018   -0.43699
 27 O    -1.69199    0.01302   -0.71805
 28 O     1.69199    0.01302   -0.71805
 29 O    -0.00000    0.04604   -1.40364
 30 O     0.00000   -0.00488    1.83582
 31 Pt   -0.00000    0.01911    0.51057
 32 Pt    0.00000   -0.14206    0.61530
 33 O    -1.61437   -0.01892    0.06821
 34 O     1.61437   -0.01892    0.06821
 35 O     0.00000   -0.03251   -0.52114
 36 O    -0.00000    0.22695   -0.19546
 37 Pt    0.00000   -0.53140    0.00277
 38 Pt    0.00000   -0.00522   -0.00915
 39 O     0.01003    0.01234    0.01245
 40 O    -0.01003    0.01234    0.01245
 41 O     0.00000   -0.00412    0.74598
 42 O    -0.00000    0.03968   -0.02461
 43 Pt    0.00000   -0.03884   -0.03257
 44 Pt   -0.00000    0.09983   -0.61429
 45 O    -0.00694   -0.72823   -0.15845
 46 O     0.00694   -0.72823   -0.15845
 47 O     0.00000   -0.02678   -0.01517
 48 O    -0.00000    0.02342    1.17332
 49 Pt    0.00000   -0.02945   -0.38040
 50 Pt   -0.00000    0.02101   -0.43609
 51 O    -1.69116   -0.01365   -0.71841
 52 O     1.69116   -0.01365   -0.71841
 53 O     0.00000   -0.00265   -1.40386
 54 O     0.00000   -0.00227    1.77496
 55 Pt    0.00000   -0.01175    0.51731
 56 Pt   -0.00000    0.09240    0.63748
 57 O    -1.61362    0.01403    0.08913
 58 O     1.61362    0.01403    0.08913
 59 O     0.00000   -0.02186   -0.51319
 60 O     0.00000   -0.33192   -0.09088
 61 Pt   -0.00000    0.20850   -0.07527
 62 Pt   -0.00000    0.01524   -0.00380
 63 O    -0.01221   -0.00701    0.00171
 64 O     0.01221   -0.00701    0.00171
 65 O     0.00000    0.01036    0.00885
 66 O     0.00000   -0.03117    0.00439
 67 Pt   -0.00000    0.04954   -0.15857
 68 Pt   -0.00000    0.20870   -0.01738
 69 O     0.19201    0.30021   -0.22007
 70 O    -0.19201    0.30021   -0.22007
 71 O    -0.00000    0.01279   -0.02928
 72 N     0.00000   -0.34611    0.48427
 73 N    -0.00000    0.16308    0.81573

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.688955   23.273686    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.705231   23.793916    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:57:35  -2.48   +inf  -413.785369    3      1      
iter:   2  02:59:23  -3.33  -3.26  -413.891747    3      1      
iter:   3  03:01:11  -3.82  -2.60  -413.792102    3      1      
iter:   4  03:02:59  -4.27  -3.44  -413.788420    3      1      
iter:   5  03:04:46  -4.49  -3.45  -413.786975    3      1      
iter:   6  03:06:35  -4.29  -3.85  -413.786731    3      1      
iter:   7  03:08:22  -4.68  -4.06  -413.785875    3      1      
iter:   8  03:10:11  -5.07  -3.79  -413.785913    2      1      
iter:   9  03:11:59  -5.52  -4.16  -413.785546    2      1      
iter:  10  03:13:47  -5.90  -4.25  -413.786407    2      1      
iter:  11  03:15:35  -6.13  -4.12  -413.785686    2      1      
iter:  12  03:17:23  -6.52  -4.62  -413.785682    2      1      
iter:  13  03:19:11  -6.75  -4.57  -413.785933    2      1      
iter:  14  03:20:58  -6.80  -4.40  -413.785718    2      1      
iter:  15  03:22:41  -7.11  -4.76  -413.785827    2      1      
iter:  16  03:24:23  -7.54  -4.90  -413.785646    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961004, -32.499100, 0.145849) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +21.420835
Potential:     -138.461689
External:        +0.000000
XC:            -306.491037
Entropy (-ST):   -1.557936
Local:          +10.525213
--------------------------
Free energy:   -414.564614
Extrapolated:  -413.785646

Fermi level: -6.41216

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46815    0.14143
  0   340     -6.46626    0.14045
  0   341     -6.45238    0.13316
  0   342     -6.42123    0.11615

  1   339     -6.38865    0.19622
  1   340     -6.33962    0.14498
  1   341     -6.30532    0.11365
  1   342     -6.29548    0.10553



Forces in eV/Ang:
  0 O     0.00000   -0.01779    1.17473
  1 Pt    0.00000   -0.00383   -0.37828
  2 Pt    0.00000   -0.01892   -0.43457
  3 O    -1.68025    0.00035   -0.71960
  4 O     1.68025    0.00035   -0.71960
  5 O     0.00000   -0.01997   -1.38099
  6 O     0.00000   -0.00233    1.77463
  7 Pt   -0.00000    0.01336    0.45213
  8 Pt    0.00000   -0.01071    0.72983
  9 O    -1.58080    0.00072    0.05709
 10 O     1.58080    0.00072    0.05709
 11 O     0.00000   -0.00845   -0.56104
 12 O    -0.00000    0.12241    0.18609
 13 Pt   -0.00000    0.32019    0.03055
 14 Pt    0.00000   -0.01749    0.01318
 15 O     0.00668    0.00908    0.00345
 16 O    -0.00668    0.00908    0.00345
 17 O     0.00000    0.00442   -1.19867
 18 O    -0.00000    0.01980    0.03474
 19 Pt    0.00000   -0.01938    0.13540
 20 Pt    0.00000   -0.07238    0.24582
 21 O    -0.22156    0.39908    0.25746
 22 O     0.22156    0.39908    0.25746
 23 O     0.00000   -0.01950   -0.06548
 24 O     0.00000   -0.00188    1.14944
 25 Pt   -0.00000    0.02493   -0.38081
 26 Pt    0.00000   -0.00019   -0.43687
 27 O    -1.68957    0.01303   -0.71841
 28 O     1.68957    0.01303   -0.71841
 29 O    -0.00000    0.04595   -1.40336
 30 O     0.00000   -0.00477    1.84366
 31 Pt   -0.00000    0.01937    0.51376
 32 Pt    0.00000   -0.14177    0.61643
 33 O    -1.61465   -0.01876    0.06904
 34 O     1.61465   -0.01876    0.06904
 35 O     0.00000   -0.03247   -0.52074
 36 O    -0.00000    0.22720   -0.19278
 37 Pt    0.00000   -0.53251    0.00124
 38 Pt    0.00000   -0.00523   -0.00967
 39 O     0.00921    0.01243    0.01367
 40 O    -0.00921    0.01243    0.01367
 41 O     0.00000   -0.00369    0.75104
 42 O    -0.00000    0.03952   -0.02533
 43 Pt    0.00000   -0.03864   -0.03384
 44 Pt   -0.00000    0.08028   -0.56930
 45 O    -0.01881   -0.71891   -0.13164
 46 O     0.01881   -0.71891   -0.13164
 47 O     0.00000   -0.02498   -0.01301
 48 O    -0.00000    0.02340    1.17254
 49 Pt    0.00000   -0.02913   -0.37929
 50 Pt   -0.00000    0.02103   -0.43600
 51 O    -1.68875   -0.01366   -0.71874
 52 O     1.68875   -0.01366   -0.71874
 53 O     0.00000   -0.00271   -1.40464
 54 O     0.00000   -0.00215    1.78250
 55 Pt    0.00000   -0.01210    0.52033
 56 Pt   -0.00000    0.09305    0.64087
 57 O    -1.61399    0.01380    0.08990
 58 O     1.61399    0.01380    0.08990
 59 O     0.00000   -0.02177   -0.51290
 60 O     0.00000   -0.32878   -0.09193
 61 Pt   -0.00000    0.20801   -0.07574
 62 Pt   -0.00000    0.01542   -0.00364
 63 O    -0.01292   -0.00740    0.00243
 64 O     0.01292   -0.00740    0.00243
 65 O     0.00000    0.01071    0.00948
 66 O     0.00000   -0.03078    0.00326
 67 Pt   -0.00000    0.04998   -0.15538
 68 Pt   -0.00000    0.20486   -0.01544
 69 O     0.18476    0.29048   -0.21445
 70 O    -0.18476    0.29048   -0.21445
 71 O    -0.00000    0.01262   -0.02768
 72 N     0.00000   -0.33680    0.58567
 73 N    -0.00000    0.22890    0.78880

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.689881   23.294941    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.716030   23.832431    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:28:24  -2.46   +inf  -413.946813    3      1      
iter:   2  03:30:11  -2.73  -2.56  -417.199737    4      1      
iter:   3  03:31:59  -3.15  -1.87  -413.874867    3      1      
iter:   4  03:33:47  -3.58  -2.75  -413.832500    3      1      
iter:   5  03:35:34  -4.15  -3.34  -413.827317    3      1      
iter:   6  03:37:22  -4.29  -3.51  -413.824458    2      1      
iter:   7  03:39:10  -4.50  -3.81  -413.824843    3      1      
iter:   8  03:40:57  -4.76  -3.53  -413.824694    3      1      
iter:   9  03:42:44  -5.18  -4.06  -413.824189    2      1      
iter:  10  03:44:31  -5.61  -4.30  -413.824341    2      1      
iter:  11  03:46:19  -5.91  -4.33  -413.823414    3      1      
iter:  12  03:48:07  -6.30  -4.20  -413.824117    2      1      
iter:  13  03:49:55  -6.56  -4.53  -413.824153    2      1      
iter:  14  03:51:43  -6.57  -4.42  -413.824117    2      1      
iter:  15  03:53:31  -6.47  -3.85  -413.824144    2      1      
iter:  16  03:55:18  -6.74  -4.64  -413.824026    2      1      
iter:  17  03:57:01  -7.42  -4.88  -413.824113    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961061, -32.498772, 0.147923) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +21.136494
Potential:     -138.300233
External:        +0.000000
XC:            -306.404670
Entropy (-ST):   -1.557612
Local:          +10.523102
--------------------------
Free energy:   -414.602919
Extrapolated:  -413.824113

Fermi level: -6.41108

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46689    0.14134
  0   340     -6.46501    0.14037
  0   341     -6.45165    0.13335
  0   342     -6.42069    0.11645

  1   339     -6.38722    0.19585
  1   340     -6.33840    0.14485
  1   341     -6.30413    0.11356
  1   342     -6.29415    0.10533



Forces in eV/Ang:
  0 O     0.00000   -0.01781    1.17496
  1 Pt    0.00000   -0.00379   -0.37912
  2 Pt    0.00000   -0.01893   -0.43552
  3 O    -1.68213    0.00035   -0.71936
  4 O     1.68213    0.00035   -0.71936
  5 O     0.00000   -0.01981   -1.38111
  6 O     0.00000   -0.00256    1.76925
  7 Pt   -0.00000    0.01340    0.45060
  8 Pt    0.00000   -0.01158    0.72971
  9 O    -1.58027    0.00072    0.05736
 10 O     1.58027    0.00072    0.05736
 11 O     0.00000   -0.00848   -0.56059
 12 O    -0.00000    0.11947    0.18438
 13 Pt   -0.00000    0.32003    0.02889
 14 Pt    0.00000   -0.01765    0.01353
 15 O     0.00714    0.00918    0.00426
 16 O    -0.00714    0.00918    0.00426
 17 O     0.00000    0.00500   -1.20052
 18 O    -0.00000    0.01872    0.03513
 19 Pt    0.00000   -0.01971    0.13669
 20 Pt    0.00000   -0.07234    0.24345
 21 O    -0.22202    0.39983    0.25739
 22 O     0.22202    0.39983    0.25739
 23 O     0.00000   -0.01971   -0.06503
 24 O     0.00000   -0.00182    1.14973
 25 Pt   -0.00000    0.02450   -0.38168
 26 Pt    0.00000   -0.00018   -0.43789
 27 O    -1.69141    0.01305   -0.71818
 28 O     1.69141    0.01305   -0.71818
 29 O    -0.00000    0.04586   -1.40224
 30 O     0.00000   -0.00472    1.83831
 31 Pt   -0.00000    0.01958    0.51244
 32 Pt    0.00000   -0.14146    0.61384
 33 O    -1.61421   -0.01874    0.06983
 34 O     1.61421   -0.01874    0.06983
 35 O     0.00000   -0.03248   -0.52026
 36 O    -0.00000    0.22749   -0.18920
 37 Pt    0.00000   -0.53304   -0.00194
 38 Pt    0.00000   -0.00512   -0.00994
 39 O     0.00986    0.01249    0.01451
 40 O    -0.00986    0.01249    0.01451
 41 O     0.00000   -0.00202    0.74441
 42 O    -0.00000    0.03946   -0.02424
 43 Pt    0.00000   -0.03793   -0.03052
 44 Pt   -0.00000    0.05458   -0.51330
 45 O    -0.03270   -0.70762   -0.10176
 46 O     0.03270   -0.70762   -0.10176
 47 O     0.00000   -0.02494   -0.01334
 48 O    -0.00000    0.02336    1.17280
 49 Pt    0.00000   -0.02873   -0.38024
 50 Pt   -0.00000    0.02103   -0.43703
 51 O    -1.69060   -0.01368   -0.71848
 52 O     1.69060   -0.01368   -0.71848
 53 O     0.00000   -0.00283   -1.40452
 54 O     0.00000   -0.00196    1.77717
 55 Pt    0.00000   -0.01234    0.51887
 56 Pt   -0.00000    0.09376    0.64045
 57 O    -1.61365    0.01375    0.09060
 58 O     1.61365    0.01375    0.09060
 59 O     0.00000   -0.02173   -0.51249
 60 O     0.00000   -0.32580   -0.09276
 61 Pt   -0.00000    0.20657   -0.07770
 62 Pt   -0.00000    0.01550   -0.00285
 63 O    -0.01235   -0.00757    0.00330
 64 O     0.01235   -0.00757    0.00330
 65 O     0.00000    0.01092    0.00839
 66 O     0.00000   -0.03019    0.00369
 67 Pt   -0.00000    0.04976   -0.15136
 68 Pt   -0.00000    0.20196   -0.01380
 69 O     0.17739    0.27879   -0.20619
 70 O    -0.17739    0.27879   -0.20619
 71 O    -0.00000    0.01306   -0.02803
 72 N     0.00000   -0.35233    0.49100
 73 N    -0.00000    0.19888    0.68330

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.690337   23.315928    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.726755   23.870966    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:01:01  -2.47   +inf  -413.873223    2      1      
iter:   2  04:02:49  -3.14  -2.92  -414.518153    3      1      
iter:   3  04:04:36  -3.53  -2.20  -413.866650    3      1      
iter:   4  04:06:23  -4.05  -3.28  -413.859693    3      1      
iter:   5  04:08:11  -4.38  -3.45  -413.859314    3      1      
iter:   6  04:09:58  -4.41  -3.80  -413.857846    3      1      
iter:   7  04:11:45  -4.43  -4.01  -413.857484    3      1      
iter:   8  04:13:33  -4.99  -3.91  -413.857346    2      1      
iter:   9  04:15:20  -5.46  -4.26  -413.856950    2      1      
iter:  10  04:17:07  -5.94  -4.28  -413.857951    3      1      
iter:  11  04:18:55  -6.16  -4.19  -413.857184    2      1      
iter:  12  04:20:42  -6.48  -4.19  -413.857343    2      1      
iter:  13  04:22:30  -6.77  -4.49  -413.857390    2      1      
iter:  14  04:24:18  -6.82  -4.58  -413.857355    2      1      
iter:  15  04:26:01  -6.91  -4.78  -413.857417    2      1      
iter:  16  04:27:43  -7.22  -4.73  -413.857196    2      1      
iter:  17  04:29:26  -7.69  -4.82  -413.857375    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961121, -32.498531, 0.149401) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +20.870778
Potential:     -138.152514
External:        +0.000000
XC:            -306.320307
Entropy (-ST):   -1.557606
Local:          +10.523471
--------------------------
Free energy:   -414.636178
Extrapolated:  -413.857375

Fermi level: -6.41008

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46572    0.14125
  0   340     -6.46386    0.14029
  0   341     -6.45104    0.13355
  0   342     -6.42030    0.11678

  1   339     -6.38612    0.19572
  1   340     -6.33725    0.14470
  1   341     -6.30308    0.11352
  1   342     -6.29303    0.10523



Forces in eV/Ang:
  0 O     0.00000   -0.01776    1.17508
  1 Pt    0.00000   -0.00373   -0.37940
  2 Pt    0.00000   -0.01889   -0.43568
  3 O    -1.68294    0.00035   -0.71956
  4 O     1.68294    0.00035   -0.71956
  5 O     0.00000   -0.01961   -1.38181
  6 O     0.00000   -0.00264    1.76537
  7 Pt   -0.00000    0.01342    0.44892
  8 Pt    0.00000   -0.01242    0.72959
  9 O    -1.58048    0.00072    0.05623
 10 O     1.58048    0.00072    0.05623
 11 O     0.00000   -0.00853   -0.56149
 12 O    -0.00000    0.11631    0.18151
 13 Pt   -0.00000    0.31991    0.02484
 14 Pt    0.00000   -0.01785    0.01242
 15 O     0.00706    0.00930    0.00380
 16 O    -0.00706    0.00930    0.00380
 17 O     0.00000    0.00581   -1.20397
 18 O    -0.00000    0.01792    0.03507
 19 Pt    0.00000   -0.01993    0.13600
 20 Pt    0.00000   -0.07225    0.24119
 21 O    -0.22182    0.40061    0.25702
 22 O     0.22182    0.40061    0.25702
 23 O     0.00000   -0.01963   -0.06410
 24 O     0.00000   -0.00178    1.14992
 25 Pt   -0.00000    0.02410   -0.38203
 26 Pt    0.00000   -0.00018   -0.43816
 27 O    -1.69222    0.01306   -0.71839
 28 O     1.69222    0.01306   -0.71839
 29 O    -0.00000    0.04575   -1.40177
 30 O     0.00000   -0.00467    1.83436
 31 Pt   -0.00000    0.01968    0.51066
 32 Pt    0.00000   -0.14116    0.61149
 33 O    -1.61442   -0.01880    0.06900
 34 O     1.61442   -0.01880    0.06900
 35 O     0.00000   -0.03247   -0.52117
 36 O    -0.00000    0.22777   -0.18662
 37 Pt    0.00000   -0.53308   -0.00693
 38 Pt    0.00000   -0.00495   -0.01142
 39 O     0.01029    0.01244    0.01437
 40 O    -0.01029    0.01244    0.01437
 41 O     0.00000    0.00002    0.73498
 42 O    -0.00000    0.03958   -0.02361
 43 Pt    0.00000   -0.03718   -0.02839
 44 Pt   -0.00000    0.03068   -0.46776
 45 O    -0.04553   -0.69649   -0.07202
 46 O     0.04553   -0.69649   -0.07202
 47 O     0.00000   -0.02503   -0.01357
 48 O    -0.00000    0.02326    1.17292
 49 Pt    0.00000   -0.02837   -0.38066
 50 Pt   -0.00000    0.02099   -0.43725
 51 O    -1.69141   -0.01370   -0.71867
 52 O     1.69141   -0.01370   -0.71867
 53 O     0.00000   -0.00298   -1.40500
 54 O     0.00000   -0.00193    1.77342
 55 Pt    0.00000   -0.01246    0.51701
 56 Pt   -0.00000    0.09447    0.64015
 57 O    -1.61395    0.01379    0.08972
 58 O     1.61395    0.01379    0.08972
 59 O     0.00000   -0.02167   -0.51337
 60 O     0.00000   -0.32260   -0.09469
 61 Pt   -0.00000    0.20467   -0.08145
 62 Pt   -0.00000    0.01556   -0.00374
 63 O    -0.01206   -0.00766    0.00304
 64 O     0.01206   -0.00766    0.00304
 65 O     0.00000    0.01100    0.00494
 66 O     0.00000   -0.03000    0.00350
 67 Pt   -0.00000    0.04934   -0.14926
 68 Pt   -0.00000    0.19857   -0.01307
 69 O     0.17080    0.26762   -0.19803
 70 O    -0.17080    0.26762   -0.19803
 71 O    -0.00000    0.01314   -0.02792
 72 N     0.00000   -0.36392    0.42039
 73 N    -0.00000    0.26968    0.64144

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.690018   23.336536    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.737380   23.909529    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:33:26  -2.47   +inf  -413.885705    2      1      
iter:   2  04:35:12  -3.33  -3.31  -413.908040    3      1      
iter:   3  04:36:59  -3.83  -3.06  -413.900996    3      1      
iter:   4  04:38:46  -4.28  -3.10  -413.890539    3      1      
iter:   5  04:40:34  -4.53  -3.62  -413.889926    2      1      
iter:   6  04:42:21  -4.35  -3.86  -413.889365    3      1      
iter:   7  04:44:08  -4.64  -3.63  -413.888855    2      1      
iter:   8  04:45:56  -5.05  -4.21  -413.889153    2      1      
iter:   9  04:47:43  -5.61  -4.05  -413.887887    3      1      
iter:  10  04:49:31  -5.89  -4.09  -413.888805    2      1      
iter:  11  04:51:18  -6.18  -4.20  -413.888585    2      1      
iter:  12  04:53:06  -6.56  -4.57  -413.888639    2      1      
iter:  13  04:54:55  -6.70  -4.46  -413.888571    2      1      
iter:  14  04:56:42  -6.76  -4.62  -413.888535    2      1      
iter:  15  04:58:25  -7.11  -4.66  -413.888878    2      1      
iter:  16  05:00:07  -7.27  -4.55  -413.888516    2      1      
iter:  17  05:01:50  -7.61  -4.87  -413.888612    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961188, -32.498409, 0.150313) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +20.635308
Potential:     -138.027985
External:        +0.000000
XC:            -306.241915
Entropy (-ST):   -1.557666
Local:          +10.524813
--------------------------
Free energy:   -414.667445
Extrapolated:  -413.888612

Fermi level: -6.40884

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46466    0.14134
  0   340     -6.46280    0.14038
  0   341     -6.44980    0.13355
  0   342     -6.41939    0.11697

  1   339     -6.38502    0.19588
  1   340     -6.33606    0.14475
  1   341     -6.30180    0.11348
  1   342     -6.29165    0.10512



Forces in eV/Ang:
  0 O     0.00000   -0.01771    1.17480
  1 Pt    0.00000   -0.00368   -0.37859
  2 Pt    0.00000   -0.01885   -0.43478
  3 O    -1.68190    0.00035   -0.71955
  4 O     1.68190    0.00035   -0.71955
  5 O     0.00000   -0.01935   -1.38245
  6 O     0.00000   -0.00255    1.76944
  7 Pt   -0.00000    0.01339    0.45038
  8 Pt    0.00000   -0.01330    0.73180
  9 O    -1.58051    0.00067    0.05609
 10 O     1.58051    0.00067    0.05609
 11 O     0.00000   -0.00852   -0.56187
 12 O    -0.00000    0.11276    0.17899
 13 Pt   -0.00000    0.31986    0.02316
 14 Pt    0.00000   -0.01795    0.01271
 15 O     0.00673    0.00946    0.00339
 16 O    -0.00673    0.00946    0.00339
 17 O     0.00000    0.00683   -1.20235
 18 O    -0.00000    0.01733    0.03464
 19 Pt    0.00000   -0.01997    0.13575
 20 Pt    0.00000   -0.07337    0.23713
 21 O    -0.22226    0.40173    0.25719
 22 O     0.22226    0.40173    0.25719
 23 O     0.00000   -0.01936   -0.06344
 24 O     0.00000   -0.00173    1.14968
 25 Pt   -0.00000    0.02369   -0.38131
 26 Pt    0.00000   -0.00019   -0.43736
 27 O    -1.69115    0.01307   -0.71842
 28 O     1.69115    0.01307   -0.71842
 29 O    -0.00000    0.04560   -1.40151
 30 O     0.00000   -0.00467    1.83824
 31 Pt   -0.00000    0.01964    0.51186
 32 Pt    0.00000   -0.14083    0.61176
 33 O    -1.61438   -0.01902    0.06916
 34 O     1.61438   -0.01902    0.06916
 35 O     0.00000   -0.03246   -0.52169
 36 O    -0.00000    0.22806   -0.18331
 37 Pt    0.00000   -0.53269   -0.00920
 38 Pt    0.00000   -0.00477   -0.01117
 39 O     0.01063    0.01228    0.01447
 40 O    -0.01063    0.01228    0.01447
 41 O    -0.00000    0.00258    0.72538
 42 O    -0.00000    0.03962   -0.02331
 43 Pt    0.00000   -0.03645   -0.02644
 44 Pt   -0.00000    0.01062   -0.43441
 45 O    -0.05589   -0.68767   -0.04802
 46 O     0.05589   -0.68767   -0.04802
 47 O     0.00000   -0.02475   -0.01381
 48 O    -0.00000    0.02316    1.17262
 49 Pt    0.00000   -0.02800   -0.38003
 50 Pt   -0.00000    0.02095   -0.43643
 51 O    -1.69036   -0.01371   -0.71869
 52 O     1.69036   -0.01371   -0.71869
 53 O     0.00000   -0.00316   -1.40542
 54 O     0.00000   -0.00201    1.77767
 55 Pt    0.00000   -0.01239    0.51821
 56 Pt   -0.00000    0.09519    0.64226
 57 O    -1.61401    0.01401    0.08986
 58 O     1.61401    0.01401    0.08986
 59 O     0.00000   -0.02170   -0.51352
 60 O     0.00000   -0.31915   -0.09641
 61 Pt   -0.00000    0.20226   -0.08291
 62 Pt   -0.00000    0.01552   -0.00356
 63 O    -0.01190   -0.00766    0.00296
 64 O     0.01190   -0.00766    0.00296
 65 O     0.00000    0.01064    0.00743
 66 O     0.00000   -0.02996    0.00302
 67 Pt   -0.00000    0.04868   -0.14653
 68 Pt   -0.00000    0.19503   -0.01185
 69 O     0.16411    0.25775   -0.19060
 70 O    -0.16411    0.25775   -0.19060
 71 O    -0.00000    0.01271   -0.02776
 72 N     0.00000   -0.36713    0.48601
 73 N    -0.00000    0.24472    0.43448

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.689756   23.358902    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.747969   23.948102    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:05:51  -2.45   +inf  -413.937414    3      1      
iter:   2  05:07:38  -3.13  -2.90  -414.652524    2      1      
iter:   3  05:09:26  -3.53  -2.18  -413.924570    3      1      
iter:   4  05:11:13  -4.06  -3.22  -413.919617    2      1      
iter:   5  05:13:01  -4.25  -3.65  -413.916105    3      1      
iter:   6  05:14:49  -4.38  -3.69  -413.919338    3      1      
iter:   7  05:16:38  -4.60  -3.64  -413.917228    3      1      
iter:   8  05:18:26  -5.19  -3.84  -413.917195    2      1      
iter:   9  05:20:14  -5.61  -4.20  -413.917208    2      1      
iter:  10  05:22:02  -5.79  -3.91  -413.917176    2      1      
iter:  11  05:23:54  -6.21  -4.19  -413.917293    2      1      
iter:  12  05:25:53  -6.50  -4.48  -413.916669    2      1      
iter:  13  05:27:52  -6.72  -4.36  -413.917288    2      1      
iter:  14  05:29:49  -6.87  -4.66  -413.917140    2      1      
iter:  15  05:31:45  -6.99  -4.69  -413.917138    2      1      
iter:  16  05:33:36  -7.59  -4.67  -413.917129    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961252, -32.498199, 0.151558) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +20.490220
Potential:     -137.976700
External:        +0.000000
XC:            -306.178578
Entropy (-ST):   -1.557720
Local:          +10.526789
--------------------------
Free energy:   -414.695989
Extrapolated:  -413.917129

Fermi level: -6.40803

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46368    0.14126
  0   340     -6.46183    0.14030
  0   341     -6.44938    0.13376
  0   342     -6.41932    0.11738

  1   339     -6.38417    0.19584
  1   340     -6.33508    0.14458
  1   341     -6.30101    0.11350
  1   342     -6.29076    0.10505



Forces in eV/Ang:
  0 O     0.00000   -0.01778    1.17457
  1 Pt    0.00000   -0.00363   -0.37856
  2 Pt    0.00000   -0.01893   -0.43537
  3 O    -1.68250    0.00034   -0.71939
  4 O     1.68250    0.00034   -0.71939
  5 O     0.00000   -0.01920   -1.38264
  6 O     0.00000   -0.00276    1.76719
  7 Pt   -0.00000    0.01353    0.45015
  8 Pt    0.00000   -0.01410    0.73268
  9 O    -1.58056    0.00074    0.05655
 10 O     1.58056    0.00074    0.05655
 11 O     0.00000   -0.00861   -0.56179
 12 O    -0.00000    0.10996    0.17715
 13 Pt   -0.00000    0.31966    0.02007
 14 Pt    0.00000   -0.01832    0.01180
 15 O     0.00641    0.00960    0.00419
 16 O    -0.00641    0.00960    0.00419
 17 O     0.00000    0.00680   -1.20699
 18 O    -0.00000    0.01638    0.03464
 19 Pt    0.00000   -0.02054    0.13561
 20 Pt    0.00000   -0.07447    0.23416
 21 O    -0.22212    0.40219    0.25708
 22 O     0.22212    0.40219    0.25708
 23 O     0.00000   -0.02010   -0.06235
 24 O     0.00000   -0.00166    1.14954
 25 Pt   -0.00000    0.02334   -0.38119
 26 Pt    0.00000   -0.00016   -0.43787
 27 O    -1.69169    0.01307   -0.71827
 28 O     1.69169    0.01307   -0.71827
 29 O    -0.00000    0.04551   -1.40056
 30 O     0.00000   -0.00457    1.83637
 31 Pt   -0.00000    0.01992    0.51173
 32 Pt    0.00000   -0.14050    0.60998
 33 O    -1.61462   -0.01882    0.06985
 34 O     1.61462   -0.01882    0.06985
 35 O     0.00000   -0.03244   -0.52159
 36 O    -0.00000    0.22840   -0.18113
 37 Pt    0.00000   -0.53193   -0.01264
 38 Pt    0.00000   -0.00478   -0.01270
 39 O     0.01032    0.01235    0.01538
 40 O    -0.01032    0.01235    0.01538
 41 O    -0.00000    0.00532    0.71787
 42 O    -0.00000    0.03951   -0.02309
 43 Pt    0.00000   -0.03615   -0.02320
 44 Pt    0.00000   -0.00742   -0.39828
 45 O    -0.06681   -0.67544   -0.02487
 46 O     0.06681   -0.67544   -0.02487
 47 O     0.00000   -0.02428   -0.01300
 48 O    -0.00000    0.02318    1.17242
 49 Pt    0.00000   -0.02770   -0.37997
 50 Pt   -0.00000    0.02100   -0.43712
 51 O    -1.69092   -0.01370   -0.71850
 52 O     1.69092   -0.01370   -0.71850
 53 O     0.00000   -0.00329   -1.40534
 54 O     0.00000   -0.00190    1.77526
 55 Pt    0.00000   -0.01279    0.51787
 56 Pt   -0.00000    0.09580    0.64274
 57 O    -1.61431    0.01371    0.09052
 58 O     1.61431    0.01371    0.09052
 59 O     0.00000   -0.02162   -0.51351
 60 O     0.00000   -0.31652   -0.09708
 61 Pt   -0.00000    0.19986   -0.08522
 62 Pt   -0.00000    0.01590   -0.00382
 63 O    -0.01216   -0.00788    0.00377
 64 O     0.01216   -0.00788    0.00377
 65 O    -0.00000    0.01097    0.00277
 66 O     0.00000   -0.02932    0.00302
 67 Pt   -0.00000    0.04881   -0.14248
 68 Pt   -0.00000    0.19239   -0.01082
 69 O     0.15625    0.24524   -0.18202
 70 O    -0.15625    0.24524   -0.18202
 71 O    -0.00000    0.01319   -0.02735
 72 N     0.00000   -0.30664    0.39832
 73 N    -0.00000    0.18955    0.41588

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O      O           
                  Pt Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.689553   23.381175    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.758346   23.986733    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:37:56  -2.45   +inf  -413.942313    3      1      
iter:   2  05:39:53  -3.33  -3.54  -413.963083    3      1      
iter:   3  05:41:51  -3.85  -2.96  -413.946195    2      1      
iter:   4  05:43:49  -4.29  -3.62  -413.944387    3      1      
iter:   5  05:45:47  -4.54  -3.52  -413.945494    3      1      
iter:   6  05:47:45  -4.35  -3.78  -413.943479    3      1      
iter:   7  05:49:42  -4.67  -3.77  -413.943359    2      1      
iter:   8  05:51:40  -5.06  -4.16  -413.942957    2      1      
iter:   9  05:53:38  -5.53  -3.99  -413.943221    2      1      
iter:  10  05:55:36  -5.83  -4.08  -413.943364    2      1      
iter:  11  05:57:34  -6.27  -4.32  -413.942715    2      1      
iter:  12  05:59:32  -6.51  -4.24  -413.943158    2      1      
iter:  13  06:01:29  -6.70  -4.63  -413.943072    2      1      
iter:  14  06:03:26  -6.75  -4.68  -413.943206    2      1      
iter:  15  06:05:24  -7.16  -4.59  -413.943045    2      1      
iter:  16  06:07:14  -7.34  -4.73  -413.943074    2      1      
iter:  17  06:09:05  -7.65  -4.75  -413.943206    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961312, -32.498164, 0.151520) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +20.299917
Potential:     -137.889306
External:        +0.000000
XC:            -306.101805
Entropy (-ST):   -1.557488
Local:          +10.526733
--------------------------
Free energy:   -414.721950
Extrapolated:  -413.943206

Fermi level: -6.40828

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46393    0.14125
  0   340     -6.46209    0.14030
  0   341     -6.44974    0.13382
  0   342     -6.42007    0.11765

  1   339     -6.38419    0.19558
  1   340     -6.33532    0.14457
  1   341     -6.30118    0.11343
  1   342     -6.29077    0.10486



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17494
  1 Pt    0.00000   -0.00358   -0.37911
  2 Pt    0.00000   -0.01884   -0.43540
  3 O    -1.68325    0.00034   -0.71955
  4 O     1.68325    0.00034   -0.71955
  5 O     0.00000   -0.01888   -1.38328
  6 O     0.00000   -0.00261    1.76460
  7 Pt   -0.00000    0.01345    0.44857
  8 Pt    0.00000   -0.01510    0.73250
  9 O    -1.58025    0.00067    0.05511
 10 O     1.58025    0.00067    0.05511
 11 O     0.00000   -0.00855   -0.56253
 12 O    -0.00000    0.10560    0.17411
 13 Pt   -0.00000    0.31991    0.01777
 14 Pt    0.00000   -0.01847    0.01215
 15 O     0.00662    0.00965    0.00330
 16 O    -0.00662    0.00965    0.00330
 17 O     0.00000    0.00785   -1.20568
 18 O    -0.00000    0.01589    0.03461
 19 Pt    0.00000   -0.02038    0.13580
 20 Pt    0.00000   -0.07404    0.23211
 21 O    -0.22224    0.40345    0.25695
 22 O     0.22224    0.40345    0.25695
 23 O     0.00000   -0.01939   -0.06236
 24 O     0.00000   -0.00161    1.14994
 25 Pt   -0.00000    0.02294   -0.38184
 26 Pt    0.00000   -0.00017   -0.43804
 27 O    -1.69245    0.01309   -0.71840
 28 O     1.69245    0.01309   -0.71840
 29 O    -0.00000    0.04536   -1.40020
 30 O     0.00000   -0.00463    1.83335
 31 Pt   -0.00000    0.01983    0.50992
 32 Pt    0.00000   -0.14020    0.60789
 33 O    -1.61421   -0.01911    0.06880
 34 O     1.61421   -0.01911    0.06880
 35 O     0.00000   -0.03246   -0.52245
 36 O    -0.00000    0.22897   -0.17772
 37 Pt    0.00000   -0.52990   -0.01494
 38 Pt    0.00000   -0.00445   -0.01220
 39 O     0.01157    0.01217    0.01485
 40 O    -0.01157    0.01217    0.01485
 41 O    -0.00000    0.00745    0.70139
 42 O    -0.00000    0.03969   -0.02225
 43 Pt    0.00000   -0.03546   -0.01944
 44 Pt    0.00000   -0.02382   -0.37726
 45 O    -0.07766   -0.66539   -0.00020
 46 O     0.07766   -0.66539   -0.00020
 47 O     0.00000   -0.02460   -0.01483
 48 O    -0.00000    0.02304    1.17277
 49 Pt    0.00000   -0.02734   -0.38074
 50 Pt   -0.00000    0.02092   -0.43724
 51 O    -1.69169   -0.01372   -0.71863
 52 O     1.69169   -0.01372   -0.71863
 53 O     0.00000   -0.00352   -1.40579
 54 O     0.00000   -0.00199    1.77296
 55 Pt    0.00000   -0.01260    0.51613
 56 Pt   -0.00000    0.09664    0.64247
 57 O    -1.61397    0.01404    0.08943
 58 O     1.61397    0.01404    0.08943
 59 O     0.00000   -0.02166   -0.51399
 60 O     0.00000   -0.31262   -0.09955
 61 Pt   -0.00000    0.19590   -0.08689
 62 Pt   -0.00000    0.01575   -0.00377
 63 O    -0.01129   -0.00774    0.00313
 64 O     0.01129   -0.00774    0.00313
 65 O    -0.00000    0.01047    0.00461
 66 O     0.00000   -0.02945    0.00281
 67 Pt   -0.00000    0.04784   -0.13942
 68 Pt   -0.00000    0.18816   -0.00997
 69 O     0.14924    0.23475   -0.17458
 70 O    -0.14924    0.23475   -0.17458
 71 O    -0.00000    0.01285   -0.02794
 72 N     0.00000   -0.28410    0.41453
 73 N    -0.00000    0.21943    0.38412

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   O     O           
             O     Pt              
        O     O      O             
         PtO Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O      O           
                  Pt Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.689143   23.404084    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.768496   24.025424    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:13:26  -2.46   +inf  -413.964040    3      1      
iter:   2  06:15:23  -3.31  -3.19  -413.989849    3      1      
iter:   3  06:17:20  -3.83  -3.06  -413.970424    3      1      
iter:   4  06:19:18  -4.27  -3.45  -413.972089    2      1      
iter:   5  06:21:16  -4.55  -3.30  -413.968485    2      1      
iter:   6  06:23:14  -4.34  -3.97  -413.967693    3      1      
iter:   7  06:25:12  -4.75  -3.77  -413.967453    2      1      
iter:   8  06:27:10  -5.03  -4.27  -413.967281    3      1      
iter:   9  06:29:07  -5.48  -4.32  -413.967359    2      1      
iter:  10  06:31:06  -5.98  -4.47  -413.966914    2      1      
iter:  11  06:33:04  -6.48  -4.35  -413.967373    2      1      
iter:  12  06:35:02  -6.69  -4.45  -413.967245    2      1      
iter:  13  06:37:00  -6.81  -4.81  -413.967143    2      1      
iter:  14  06:38:58  -7.08  -4.56  -413.967404    2      1      
iter:  15  06:40:56  -7.39  -4.52  -413.967245    2      1      
iter:  16  06:42:52  -7.44  -5.10  -413.967289    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961379, -32.497888, 0.151786) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +20.076297
Potential:     -137.763617
External:        +0.000000
XC:            -306.026054
Entropy (-ST):   -1.557736
Local:          +10.524953
--------------------------
Free energy:   -414.746157
Extrapolated:  -413.967289

Fermi level: -6.40795

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46352    0.14121
  0   340     -6.46168    0.14026
  0   341     -6.44965    0.13395
  0   342     -6.42037    0.11800

  1   339     -6.38388    0.19561
  1   340     -6.33487    0.14445
  1   341     -6.30087    0.11345
  1   342     -6.29035    0.10479



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17493
  1 Pt    0.00000   -0.00350   -0.37856
  2 Pt    0.00000   -0.01877   -0.43463
  3 O    -1.68320    0.00034   -0.71946
  4 O     1.68320    0.00034   -0.71946
  5 O     0.00000   -0.01851   -1.38337
  6 O     0.00000   -0.00225    1.76493
  7 Pt   -0.00000    0.01339    0.44875
  8 Pt    0.00000   -0.01599    0.73362
  9 O    -1.58031    0.00064    0.05494
 10 O     1.58031    0.00064    0.05494
 11 O     0.00000   -0.00843   -0.56321
 12 O    -0.00000    0.10159    0.17186
 13 Pt   -0.00000    0.32020    0.01470
 14 Pt    0.00000   -0.01885    0.01151
 15 O     0.00624    0.00971    0.00309
 16 O    -0.00624    0.00971    0.00309
 17 O    -0.00000    0.00852   -1.20815
 18 O    -0.00000    0.01580    0.03495
 19 Pt    0.00000   -0.02041    0.13482
 20 Pt    0.00000   -0.07304    0.23042
 21 O    -0.22149    0.40409    0.25736
 22 O     0.22149    0.40409    0.25736
 23 O     0.00000   -0.01885   -0.06228
 24 O     0.00000   -0.00154    1.15001
 25 Pt   -0.00000    0.02255   -0.38120
 26 Pt    0.00000   -0.00017   -0.43731
 27 O    -1.69236    0.01309   -0.71829
 28 O     1.69236    0.01309   -0.71829
 29 O    -0.00000    0.04518   -1.39954
 30 O     0.00000   -0.00479    1.83344
 31 Pt   -0.00000    0.01973    0.50961
 32 Pt    0.00000   -0.13997    0.60688
 33 O    -1.61427   -0.01937    0.06895
 34 O     1.61427   -0.01937    0.06895
 35 O     0.00000   -0.03249   -0.52321
 36 O    -0.00000    0.22952   -0.17413
 37 Pt    0.00000   -0.52696   -0.01732
 38 Pt    0.00000   -0.00413   -0.01272
 39 O     0.01240    0.01193    0.01509
 40 O    -0.01240    0.01193    0.01509
 41 O    -0.00000    0.00981    0.68240
 42 O    -0.00000    0.03960   -0.02159
 43 Pt    0.00000   -0.03528   -0.01642
 44 Pt    0.00000   -0.03779   -0.35264
 45 O    -0.08597   -0.65588    0.01937
 46 O     0.08597   -0.65588    0.01937
 47 O     0.00000   -0.02462   -0.01597
 48 O    -0.00000    0.02294    1.17272
 49 Pt    0.00000   -0.02702   -0.38028
 50 Pt   -0.00000    0.02086   -0.43661
 51 O    -1.69163   -0.01373   -0.71853
 52 O     1.69163   -0.01373   -0.71853
 53 O     0.00000   -0.00376   -1.40577
 54 O     0.00000   -0.00218    1.77350
 55 Pt    0.00000   -0.01244    0.51602
 56 Pt   -0.00000    0.09741    0.64349
 57 O    -1.61403    0.01429    0.08956
 58 O     1.61403    0.01429    0.08956
 59 O     0.00000   -0.02172   -0.51426
 60 O     0.00000   -0.30914   -0.10132
 61 Pt   -0.00000    0.19113   -0.08882
 62 Pt   -0.00000    0.01583   -0.00478
 63 O    -0.01091   -0.00755    0.00322
 64 O     0.01091   -0.00755    0.00322
 65 O    -0.00000    0.01001    0.00237
 66 O     0.00000   -0.02968    0.00310
 67 Pt   -0.00000    0.04743   -0.13671
 68 Pt   -0.00000    0.18388   -0.00971
 69 O     0.14249    0.22468   -0.16761
 70 O    -0.14249    0.22468   -0.16761
 71 O    -0.00000    0.01237   -0.02833
 72 N     0.00000   -0.34273    0.34620
 73 N    -0.00000    0.24606    0.24372

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   O     O           
             O     Pt              
        O     O      O             
         PtO Pt                    
               OPt OPt   O         
       Pt  PO     O  O             
             O  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.687987   23.426979    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.778926   24.064040    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:49:13  -2.47   +inf  -413.994814    3      1      
iter:   2  06:51:11  -3.27  -3.12  -414.187988    3      1      
iter:   3  06:53:08  -3.72  -2.45  -413.996874    2      1      
iter:   4  06:55:06  -4.23  -3.39  -413.992230    3      1      
iter:   5  06:57:04  -4.54  -3.58  -413.991927    2      1      
iter:   6  06:59:02  -4.32  -3.83  -413.990546    3      1      
iter:   7  07:01:00  -4.75  -3.61  -413.990273    2      1      
iter:   8  07:02:58  -5.12  -4.24  -413.990429    2      1      
iter:   9  07:04:55  -5.52  -3.89  -413.990110    2      1      
iter:  10  07:06:54  -5.88  -3.98  -413.990539    2      1      
iter:  11  07:08:51  -6.26  -4.33  -413.990012    2      1      
iter:  12  07:10:48  -6.64  -4.43  -413.990223    2      1      
iter:  13  07:12:47  -6.79  -4.62  -413.990141    2      1      
iter:  14  07:14:45  -6.72  -4.55  -413.990228    2      1      
iter:  15  07:16:40  -7.23  -4.68  -413.990182    2      1      
iter:  16  07:18:35  -7.44  -4.75  -413.990106    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961463, -32.498034, 0.150038) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +19.996577
Potential:     -137.756477
External:        +0.000000
XC:            -305.973736
Entropy (-ST):   -1.558006
Local:          +10.522532
--------------------------
Free energy:   -414.769109
Extrapolated:  -413.990106

Fermi level: -6.40863

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46451    0.14137
  0   340     -6.46266    0.14042
  0   341     -6.45021    0.13388
  0   342     -6.42148    0.11824

  1   339     -6.38489    0.19596
  1   340     -6.33565    0.14454
  1   341     -6.30162    0.11350
  1   342     -6.29093    0.10471



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17444
  1 Pt    0.00000   -0.00345   -0.37716
  2 Pt    0.00000   -0.01882   -0.43387
  3 O    -1.68125    0.00036   -0.71960
  4 O     1.68125    0.00036   -0.71960
  5 O     0.00000   -0.01841   -1.38449
  6 O     0.00000   -0.00264    1.77183
  7 Pt   -0.00000    0.01343    0.45100
  8 Pt    0.00000   -0.01714    0.73654
  9 O    -1.58072    0.00061    0.05481
 10 O     1.58072    0.00061    0.05481
 11 O     0.00000   -0.00863   -0.56314
 12 O    -0.00000    0.09797    0.16912
 13 Pt   -0.00000    0.32004    0.01318
 14 Pt    0.00000   -0.01872    0.01133
 15 O     0.00552    0.01000    0.00298
 16 O    -0.00552    0.01000    0.00298
 17 O    -0.00000    0.00868   -1.20594
 18 O    -0.00000    0.01446    0.03384
 19 Pt    0.00000   -0.02056    0.13476
 20 Pt    0.00000   -0.07523    0.22599
 21 O    -0.22249    0.40505    0.25719
 22 O     0.22249    0.40505    0.25719
 23 O     0.00000   -0.01927   -0.06124
 24 O     0.00000   -0.00150    1.14955
 25 Pt   -0.00000    0.02227   -0.37998
 26 Pt    0.00000   -0.00018   -0.43655
 27 O    -1.69038    0.01310   -0.71851
 28 O     1.69038    0.01310   -0.71851
 29 O    -0.00000    0.04513   -1.39965
 30 O     0.00000   -0.00457    1.84062
 31 Pt   -0.00000    0.01994    0.51207
 32 Pt    0.00000   -0.13950    0.60770
 33 O    -1.61465   -0.01926    0.06916
 34 O     1.61465   -0.01926    0.06916
 35 O     0.00000   -0.03243   -0.52306
 36 O    -0.00000    0.22965   -0.17216
 37 Pt    0.00000   -0.52495   -0.01938
 38 Pt    0.00000   -0.00430   -0.01324
 39 O     0.01139    0.01210    0.01524
 40 O    -0.01139    0.01210    0.01524
 41 O    -0.00000    0.01210    0.67199
 42 O    -0.00000    0.03970   -0.02201
 43 Pt    0.00000   -0.03430   -0.01262
 44 Pt    0.00000   -0.04884   -0.34296
 45 O    -0.09583   -0.64453    0.04011
 46 O     0.09583   -0.64453    0.04011
 47 O     0.00000   -0.02411   -0.01541
 48 O    -0.00000    0.02293    1.17226
 49 Pt    0.00000   -0.02679   -0.37898
 50 Pt   -0.00000    0.02090   -0.43579
 51 O    -1.68964   -0.01376   -0.71872
 52 O     1.68964   -0.01376   -0.71872
 53 O     0.00000   -0.00388   -1.40650
 54 O     0.00000   -0.00201    1.78053
 55 Pt    0.00000   -0.01267    0.51823
 56 Pt   -0.00000    0.09821    0.64600
 57 O    -1.61455    0.01419    0.08969
 58 O     1.61455    0.01419    0.08969
 59 O     0.00000   -0.02161   -0.51439
 60 O     0.00000   -0.30562   -0.10277
 61 Pt   -0.00000    0.18785   -0.08991
 62 Pt   -0.00000    0.01588   -0.00458
 63 O    -0.01183   -0.00803    0.00320
 64 O     0.01183   -0.00803    0.00320
 65 O    -0.00000    0.01005    0.00530
 66 O     0.00000   -0.02882    0.00199
 67 Pt   -0.00000    0.04628   -0.13162
 68 Pt   -0.00000    0.18161   -0.00795
 69 O     0.13452    0.21304   -0.15865
 70 O    -0.13452    0.21304   -0.15865
 71 O    -0.00000    0.01241   -0.02749
 72 N     0.00000   -0.24286    0.41875
 73 N    -0.00000    0.29750    0.31995

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   O     O           
             O                     
        O     O    PtO             
         PtO Pt                    
               OPt OPt   O         
       Pt  PO     O  O             
             O  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.686856   23.451754    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.788380   24.102907    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:22:57  -2.43   +inf  -414.064909    3      1      
iter:   2  07:24:55  -2.95  -2.72  -415.594352    3      1      
iter:   3  07:26:52  -3.36  -2.02  -414.023972    3      1      
iter:   4  07:28:50  -3.84  -3.00  -414.015260    3      1      
iter:   5  07:30:49  -4.33  -3.46  -414.011441    3      1      
iter:   6  07:32:46  -4.30  -3.67  -414.010008    2      1      
iter:   7  07:34:43  -4.48  -3.69  -414.010036    3      1      
iter:   8  07:36:42  -5.00  -3.71  -414.010121    3      1      
iter:   9  07:38:39  -5.60  -4.08  -414.010039    2      1      
iter:  10  07:40:38  -5.81  -4.06  -414.009433    3      1      
iter:  11  07:42:36  -6.09  -4.32  -414.010132    2      1      
iter:  12  07:44:34  -6.34  -4.38  -414.009682    2      1      
iter:  13  07:46:32  -6.58  -4.54  -414.009927    2      1      
iter:  14  07:48:30  -6.88  -4.56  -414.009894    2      1      
iter:  15  07:50:22  -6.93  -4.25  -414.009935    2      1      
iter:  16  07:52:13  -7.10  -4.46  -414.009871    2      1      
iter:  17  07:54:03  -7.22  -5.01  -414.009742    2      1      
iter:  18  07:55:54  -7.88  -5.03  -414.009922    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961512, -32.497629, 0.149849) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +19.883683
Potential:     -137.723539
External:        +0.000000
XC:            -305.914398
Entropy (-ST):   -1.557790
Local:          +10.523227
--------------------------
Free energy:   -414.788817
Extrapolated:  -414.009922

Fermi level: -6.40949

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46516    0.14127
  0   340     -6.46332    0.14031
  0   341     -6.45142    0.13407
  0   342     -6.42306    0.11864

  1   339     -6.38535    0.19553
  1   340     -6.33638    0.14442
  1   341     -6.30246    0.11349
  1   342     -6.29155    0.10452



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17469
  1 Pt    0.00000   -0.00341   -0.37814
  2 Pt    0.00000   -0.01884   -0.43495
  3 O    -1.68318    0.00033   -0.71925
  4 O     1.68318    0.00033   -0.71925
  5 O     0.00000   -0.01808   -1.38417
  6 O     0.00000   -0.00259    1.76575
  7 Pt   -0.00000    0.01346    0.44954
  8 Pt    0.00000   -0.01807    0.73619
  9 O    -1.58033    0.00061    0.05528
 10 O     1.58033    0.00061    0.05528
 11 O     0.00000   -0.00858   -0.56294
 12 O    -0.00000    0.09443    0.16758
 13 Pt   -0.00000    0.32025    0.01097
 14 Pt    0.00000   -0.01902    0.01181
 15 O     0.00569    0.01002    0.00363
 16 O    -0.00569    0.01002    0.00363
 17 O    -0.00000    0.00855   -1.20793
 18 O    -0.00000    0.01383    0.03437
 19 Pt    0.00000   -0.02076    0.13493
 20 Pt    0.00000   -0.07344    0.22865
 21 O    -0.22204    0.40566    0.25692
 22 O     0.22204    0.40566    0.25692
 23 O     0.00000   -0.01895   -0.06155
 24 O     0.00000   -0.00144    1.14989
 25 Pt   -0.00000    0.02190   -0.38089
 26 Pt    0.00000   -0.00014   -0.43762
 27 O    -1.69225    0.01311   -0.71815
 28 O     1.69225    0.01311   -0.71815
 29 O    -0.00000    0.04501   -1.39842
 30 O     0.00000   -0.00458    1.83445
 31 Pt   -0.00000    0.01997    0.51059
 32 Pt    0.00000   -0.13922    0.60505
 33 O    -1.61429   -0.01932    0.06992
 34 O     1.61429   -0.01932    0.06992
 35 O     0.00000   -0.03244   -0.52300
 36 O    -0.00000    0.23021   -0.16932
 37 Pt    0.00000   -0.52147   -0.02149
 38 Pt    0.00000   -0.00416   -0.01289
 39 O     0.01215    0.01198    0.01597
 40 O    -0.01215    0.01198    0.01597
 41 O    -0.00000    0.01438    0.65299
 42 O    -0.00000    0.03976   -0.02114
 43 Pt    0.00000   -0.03411   -0.00666
 44 Pt    0.00000   -0.06103   -0.32090
 45 O    -0.10529   -0.63295    0.05918
 46 O     0.10529   -0.63295    0.05918
 47 O     0.00000   -0.02462   -0.01749
 48 O    -0.00000    0.02288    1.17252
 49 Pt    0.00000   -0.02646   -0.37999
 50 Pt   -0.00000    0.02090   -0.43704
 51 O    -1.69155   -0.01374   -0.71832
 52 O     1.69155   -0.01374   -0.71832
 53 O     0.00000   -0.00413   -1.40598
 54 O     0.00000   -0.00204    1.77436
 55 Pt    0.00000   -0.01271    0.51665
 56 Pt   -0.00000    0.09893    0.64531
 57 O    -1.61425    0.01421    0.09040
 58 O     1.61425    0.01421    0.09040
 59 O     0.00000   -0.02163   -0.51412
 60 O     0.00000   -0.30269   -0.10365
 61 Pt   -0.00000    0.18302   -0.09127
 62 Pt   -0.00000    0.01606   -0.00383
 63 O    -0.01124   -0.00789    0.00392
 64 O     0.01124   -0.00789    0.00392
 65 O    -0.00000    0.00986    0.00357
 66 O     0.00000   -0.02858    0.00243
 67 Pt   -0.00000    0.04588   -0.12766
 68 Pt   -0.00000    0.17879   -0.00761
 69 O     0.12708    0.20125   -0.15165
 70 O    -0.12708    0.20125   -0.15165
 71 O    -0.00000    0.01266   -0.02889
 72 N     0.00000   -0.26455    0.41807
 73 N    -0.00000    0.19538    0.11910

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   O     O           
             O                     
        O     O    PtO             
         PtO Pt                    
               OPt O     O         
       Pt   O     O Pt             
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.685530   23.477052    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.798184   24.141687    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:00:17  -2.42   +inf  -414.027276    3      1      
iter:   2  08:02:14  -3.29  -3.34  -414.051199    3      1      
iter:   3  08:04:12  -3.82  -3.00  -414.040857    3      1      
iter:   4  08:06:10  -4.30  -3.14  -414.031538    3      1      
iter:   5  08:08:08  -4.45  -3.61  -414.030531    3      1      
iter:   6  08:10:05  -4.36  -3.93  -414.029828    3      1      
iter:   7  08:12:03  -4.87  -3.74  -414.029766    2      1      
iter:   8  08:14:01  -5.01  -4.16  -414.029355    3      1      
iter:   9  08:15:59  -5.52  -4.37  -414.029463    2      1      
iter:  10  08:17:57  -6.02  -4.30  -414.029551    2      1      
iter:  11  08:19:55  -6.49  -4.33  -414.029165    2      1      
iter:  12  08:21:53  -6.84  -4.40  -414.029858    2      1      
iter:  13  08:23:51  -6.72  -4.44  -414.029426    2      1      
iter:  14  08:25:49  -6.92  -4.67  -414.029466    2      1      
iter:  15  08:27:46  -7.15  -4.88  -414.029453    2      1      
iter:  16  08:29:37  -7.48  -5.09  -414.029466    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961600, -32.497669, 0.147407) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +19.869267
Potential:     -137.766414
External:        +0.000000
XC:            -305.875254
Entropy (-ST):   -1.558095
Local:          +10.521983
--------------------------
Free energy:   -414.808513
Extrapolated:  -414.029466

Fermi level: -6.41113

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46694    0.14134
  0   340     -6.46509    0.14038
  0   341     -6.45305    0.13406
  0   342     -6.42521    0.11892

  1   339     -6.38714    0.19569
  1   340     -6.33804    0.14444
  1   341     -6.30414    0.11352
  1   342     -6.29307    0.10442



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17435
  1 Pt    0.00000   -0.00336   -0.37762
  2 Pt    0.00000   -0.01879   -0.43431
  3 O    -1.68198    0.00034   -0.71951
  4 O     1.68198    0.00034   -0.71951
  5 O     0.00000   -0.01777   -1.38496
  6 O     0.00000   -0.00256    1.76943
  7 Pt   -0.00000    0.01342    0.45066
  8 Pt    0.00000   -0.01922    0.73831
  9 O    -1.58030    0.00059    0.05475
 10 O     1.58030    0.00059    0.05475
 11 O     0.00000   -0.00859   -0.56330
 12 O    -0.00000    0.08985    0.16509
 13 Pt   -0.00000    0.32039    0.00872
 14 Pt    0.00000   -0.01913    0.01124
 15 O     0.00532    0.01012    0.00326
 16 O    -0.00532    0.01012    0.00326
 17 O    -0.00000    0.00908   -1.20662
 18 O    -0.00000    0.01338    0.03390
 19 Pt    0.00000   -0.02054    0.13571
 20 Pt    0.00000   -0.07340    0.22625
 21 O    -0.22223    0.40653    0.25713
 22 O     0.22223    0.40653    0.25713
 23 O     0.00000   -0.01845   -0.06091
 24 O     0.00000   -0.00138    1.14957
 25 Pt   -0.00000    0.02157   -0.38042
 26 Pt    0.00000   -0.00016   -0.43704
 27 O    -1.69106    0.01313   -0.71843
 28 O     1.69106    0.01313   -0.71843
 29 O    -0.00000    0.04487   -1.39841
 30 O     0.00000   -0.00462    1.83795
 31 Pt   -0.00000    0.01997    0.51151
 32 Pt    0.00000   -0.13892    0.60519
 33 O    -1.61418   -0.01944    0.06968
 34 O     1.61418   -0.01944    0.06968
 35 O     0.00000   -0.03245   -0.52331
 36 O    -0.00000    0.23064   -0.16621
 37 Pt    0.00000   -0.51731   -0.02309
 38 Pt    0.00000   -0.00397   -0.01341
 39 O     0.01240    0.01193    0.01593
 40 O    -0.01240    0.01193    0.01593
 41 O    -0.00000    0.01604    0.63271
 42 O    -0.00000    0.03976   -0.02104
 43 Pt    0.00000   -0.03358   -0.00158
 44 Pt    0.00000   -0.06782   -0.31641
 45 O    -0.11370   -0.62235    0.07788
 46 O     0.11370   -0.62235    0.07788
 47 O     0.00000   -0.02455   -0.01774
 48 O    -0.00000    0.02279    1.17215
 49 Pt    0.00000   -0.02618   -0.37963
 50 Pt   -0.00000    0.02086   -0.43645
 51 O    -1.69035   -0.01377   -0.71861
 52 O     1.69035   -0.01377   -0.71861
 53 O     0.00000   -0.00433   -1.40655
 54 O     0.00000   -0.00203    1.77837
 55 Pt    0.00000   -0.01267    0.51766
 56 Pt   -0.00000    0.09986    0.64724
 57 O    -1.61419    0.01433    0.09015
 58 O     1.61419    0.01433    0.09015
 59 O     0.00000   -0.02160   -0.51426
 60 O     0.00000   -0.29872   -0.10522
 61 Pt   -0.00000    0.17773   -0.09242
 62 Pt   -0.00000    0.01596   -0.00473
 63 O    -0.01128   -0.00792    0.00371
 64 O     0.01128   -0.00792    0.00371
 65 O    -0.00000    0.00943    0.00500
 66 O     0.00000   -0.02843    0.00172
 67 Pt   -0.00000    0.04466   -0.12149
 68 Pt   -0.00000    0.17484   -0.00505
 69 O     0.11923    0.19024   -0.14307
 70 O    -0.11923    0.19024   -0.14307
 71 O    -0.00000    0.01209   -0.02820
 72 N     0.00000   -0.19589    0.36069
 73 N    -0.00000    0.22999    0.23256

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   O     O           
             O                     
        O     O    PtO             
         PtO Pt                    
               OPt O     O         
       Pt   O     O Pt             
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.684014   23.502617    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.807123   24.180675    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:35:02  -2.42   +inf  -414.071176    3      1      
iter:   2  08:37:00  -3.08  -2.86  -414.890022    2      1      
iter:   3  08:38:59  -3.52  -2.15  -414.055430    3      1      
iter:   4  08:40:56  -4.05  -3.22  -414.049984    2      1      
iter:   5  08:42:54  -4.21  -3.71  -414.045796    3      1      
iter:   6  08:44:52  -4.38  -3.64  -414.048883    3      1      
iter:   7  08:46:50  -4.76  -3.70  -414.047333    3      1      
iter:   8  08:48:48  -5.27  -3.98  -414.047460    3      1      
iter:   9  08:50:46  -5.52  -4.10  -414.047801    2      1      
iter:  10  08:52:43  -5.72  -3.62  -414.047208    2      1      
iter:  11  08:54:42  -5.97  -4.28  -414.047596    2      1      
iter:  12  08:56:40  -6.48  -4.47  -414.047161    2      1      
iter:  13  08:58:38  -6.72  -4.46  -414.047598    2      1      
iter:  14  09:00:36  -6.82  -4.56  -414.047478    2      1      
iter:  15  09:02:33  -6.95  -4.77  -414.047506    2      1      
iter:  16  09:04:29  -7.15  -4.32  -414.047395    2      1      
iter:  17  09:06:24  -7.54  -4.92  -414.047322    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961644, -32.497270, 0.145859) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +19.771988
Potential:     -137.742609
External:        +0.000000
XC:            -305.816085
Entropy (-ST):   -1.558443
Local:          +10.518605
--------------------------
Free energy:   -414.826544
Extrapolated:  -414.047322

Fermi level: -6.41246

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46812    0.14126
  0   340     -6.46626    0.14030
  0   341     -6.45479    0.13429
  0   342     -6.42732    0.11935

  1   339     -6.38844    0.19566
  1   340     -6.33918    0.14426
  1   341     -6.30558    0.11361
  1   342     -6.29432    0.10436



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17452
  1 Pt    0.00000   -0.00330   -0.37678
  2 Pt    0.00000   -0.01883   -0.43389
  3 O    -1.68242    0.00034   -0.71911
  4 O     1.68242    0.00034   -0.71911
  5 O     0.00000   -0.01756   -1.38498
  6 O     0.00000   -0.00269    1.76800
  7 Pt   -0.00000    0.01350    0.45059
  8 Pt    0.00000   -0.02026    0.73923
  9 O    -1.58075    0.00058    0.05503
 10 O     1.58075    0.00058    0.05503
 11 O     0.00000   -0.00864   -0.56342
 12 O    -0.00000    0.08651    0.16336
 13 Pt   -0.00000    0.32039    0.00548
 14 Pt    0.00000   -0.01916    0.01049
 15 O     0.00481    0.01027    0.00362
 16 O    -0.00481    0.01027    0.00362
 17 O    -0.00000    0.00877   -1.21106
 18 O    -0.00000    0.01247    0.03389
 19 Pt    0.00000   -0.02103    0.13352
 20 Pt    0.00000   -0.07234    0.22613
 21 O    -0.22190    0.40666    0.25605
 22 O     0.22190    0.40666    0.25605
 23 O     0.00000   -0.01886   -0.06119
 24 O     0.00000   -0.00134    1.14980
 25 Pt   -0.00000    0.02126   -0.37963
 26 Pt    0.00000   -0.00015   -0.43657
 27 O    -1.69144    0.01313   -0.71805
 28 O     1.69144    0.01313   -0.71805
 29 O    -0.00000    0.04483   -1.39746
 30 O     0.00000   -0.00451    1.83669
 31 Pt   -0.00000    0.02010    0.51153
 32 Pt    0.00000   -0.13859    0.60376
 33 O    -1.61464   -0.01936    0.07022
 34 O     1.61464   -0.01936    0.07022
 35 O     0.00000   -0.03243   -0.52349
 36 O    -0.00000    0.23078   -0.16404
 37 Pt    0.00000   -0.51315   -0.02636
 38 Pt    0.00000   -0.00413   -0.01425
 39 O     0.01196    0.01193    0.01638
 40 O    -0.01196    0.01193    0.01638
 41 O    -0.00000    0.01774    0.61133
 42 O    -0.00000    0.03974   -0.02060
 43 Pt    0.00000   -0.03290    0.00174
 44 Pt    0.00000   -0.07670   -0.30226
 45 O    -0.12180   -0.61038    0.09356
 46 O     0.12180   -0.61038    0.09356
 47 O     0.00000   -0.02459   -0.01983
 48 O    -0.00000    0.02279    1.17236
 49 Pt    0.00000   -0.02593   -0.37879
 50 Pt   -0.00000    0.02089   -0.43607
 51 O    -1.69075   -0.01377   -0.71820
 52 O     1.69075   -0.01377   -0.71820
 53 O     0.00000   -0.00455   -1.40623
 54 O     0.00000   -0.00202    1.77685
 55 Pt    0.00000   -0.01284    0.51747
 56 Pt   -0.00000    0.10060    0.64763
 57 O    -1.61475    0.01422    0.09064
 58 O     1.61475    0.01422    0.09064
 59 O     0.00000   -0.02158   -0.51450
 60 O     0.00000   -0.29561   -0.10603
 61 Pt   -0.00000    0.17272   -0.09463
 62 Pt   -0.00000    0.01616   -0.00486
 63 O    -0.01169   -0.00806    0.00418
 64 O     0.01169   -0.00806    0.00418
 65 O    -0.00000    0.00936    0.00075
 66 O     0.00000   -0.02779    0.00184
 67 Pt   -0.00000    0.04398   -0.11924
 68 Pt   -0.00000    0.17300   -0.00668
 69 O     0.11216    0.17842   -0.13628
 70 O    -0.11216    0.17842   -0.13628
 71 O    -0.00000    0.01260   -0.02949
 72 N     0.00000   -0.29316    0.33373
 73 N    -0.00000    0.16756    0.14682

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
          O      O   PtO           
            Pt                     
        O     O    PtO             
         PtO Pt                    
               OPt O     O         
       Pt   O     O Pt             
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.681616   23.527703    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.816383   24.219589    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:10:57  -2.44   +inf  -414.067324    3      1      
iter:   2  09:12:56  -3.31  -3.46  -414.063535    3      1      
iter:   3  09:14:54  -3.83  -3.33  -414.072276    3      1      
iter:   4  09:16:51  -4.27  -3.15  -414.067029    3      1      
iter:   5  09:18:49  -4.32  -3.65  -414.063693    3      1      
iter:   6  09:20:46  -4.39  -3.83  -414.063624    2      1      
iter:   7  09:22:44  -4.96  -3.87  -414.063751    2      1      
iter:   8  09:24:42  -5.07  -4.10  -414.063663    3      1      
iter:   9  09:26:40  -5.49  -4.20  -414.063613    2      1      
iter:  10  09:28:39  -6.01  -4.38  -414.063573    2      1      
iter:  11  09:30:37  -6.52  -4.41  -414.063225    2      1      
iter:  12  09:32:35  -6.62  -4.34  -414.064032    2      1      
iter:  13  09:34:33  -6.68  -4.30  -414.063440    2      1      
iter:  14  09:36:31  -7.05  -4.74  -414.063535    2      1      
iter:  15  09:38:28  -7.29  -4.85  -414.063526    2      1      
iter:  16  09:40:19  -7.71  -5.18  -414.063526    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961724, -32.497303, 0.143196) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +19.721090
Potential:     -137.748825
External:        +0.000000
XC:            -305.773849
Entropy (-ST):   -1.558449
Local:          +10.517282
--------------------------
Free energy:   -414.842751
Extrapolated:  -414.063526

Fermi level: -6.41474

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.47047    0.14129
  0   340     -6.46860    0.14033
  0   341     -6.45714    0.13432
  0   342     -6.43013    0.11965

  1   339     -6.39063    0.19556
  1   340     -6.34149    0.14429
  1   341     -6.30787    0.11362
  1   342     -6.29640    0.10420



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17440
  1 Pt    0.00000   -0.00327   -0.37728
  2 Pt    0.00000   -0.01880   -0.43408
  3 O    -1.68244    0.00033   -0.71930
  4 O     1.68244    0.00033   -0.71930
  5 O     0.00000   -0.01722   -1.38546
  6 O     0.00000   -0.00260    1.76801
  7 Pt   -0.00000    0.01347    0.45025
  8 Pt    0.00000   -0.02122    0.74010
  9 O    -1.58034    0.00058    0.05427
 10 O     1.58034    0.00058    0.05427
 11 O     0.00000   -0.00864   -0.56386
 12 O    -0.00000    0.08236    0.16086
 13 Pt   -0.00000    0.32053    0.00352
 14 Pt    0.00000   -0.01946    0.01049
 15 O     0.00480    0.01026    0.00309
 16 O    -0.00480    0.01026    0.00309
 17 O    -0.00000    0.00894   -1.20974
 18 O    -0.00000    0.01198    0.03362
 19 Pt    0.00000   -0.02080    0.13467
 20 Pt    0.00000   -0.07185    0.22498
 21 O    -0.22181    0.40755    0.25616
 22 O     0.22181    0.40755    0.25616
 23 O     0.00000   -0.01853   -0.06098
 24 O     0.00000   -0.00128    1.14972
 25 Pt   -0.00000    0.02098   -0.38007
 26 Pt    0.00000   -0.00015   -0.43677
 27 O    -1.69144    0.01314   -0.71825
 28 O     1.69144    0.01314   -0.71825
 29 O    -0.00000    0.04468   -1.39726
 30 O     0.00000   -0.00458    1.83654
 31 Pt   -0.00000    0.02009    0.51093
 32 Pt    0.00000   -0.13837    0.60269
 33 O    -1.61423   -0.01945    0.06970
 34 O     1.61423   -0.01945    0.06970
 35 O     0.00000   -0.03244   -0.52397
 36 O    -0.00000    0.23128   -0.16186
 37 Pt    0.00000   -0.50872   -0.02753
 38 Pt    0.00000   -0.00389   -0.01421
 39 O     0.01256    0.01188    0.01599
 40 O    -0.01256    0.01188    0.01599
 41 O    -0.00000    0.01928    0.59209
 42 O    -0.00000    0.03984   -0.02056
 43 Pt    0.00000   -0.03261    0.00728
 44 Pt    0.00000   -0.08165   -0.29971
 45 O    -0.12925   -0.60062    0.10829
 46 O     0.12925   -0.60062    0.10829
 47 O     0.00000   -0.02445   -0.02036
 48 O    -0.00000    0.02272    1.17221
 49 Pt    0.00000   -0.02569   -0.37937
 50 Pt   -0.00000    0.02086   -0.43638
 51 O    -1.69077   -0.01378   -0.71840
 52 O     1.69077   -0.01378   -0.71840
 53 O     0.00000   -0.00477   -1.40661
 54 O     0.00000   -0.00203    1.77696
 55 Pt    0.00000   -0.01279    0.51701
 56 Pt   -0.00000    0.10139    0.64834
 57 O    -1.61436    0.01428    0.09010
 58 O     1.61436    0.01428    0.09010
 59 O     0.00000   -0.02157   -0.51473
 60 O     0.00000   -0.29218   -0.10769
 61 Pt   -0.00000    0.16742   -0.09543
 62 Pt   -0.00000    0.01623   -0.00506
 63 O    -0.01134   -0.00797    0.00370
 64 O     0.01134   -0.00797    0.00370
 65 O    -0.00000    0.00899    0.00214
 66 O     0.00000   -0.02764    0.00123
 67 Pt   -0.00000    0.04293   -0.11277
 68 Pt   -0.00000    0.16962   -0.00390
 69 O     0.10461    0.16794   -0.12885
 70 O    -0.10461    0.16794   -0.12885
 71 O    -0.00000    0.01221   -0.02922
 72 N     0.00000   -0.15243    0.28140
 73 N    -0.00000    0.16090    0.22099

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
          O      O   PtO           
            Pt                     
        O          PtO             
         PtO PO      O             
                Pt O               
       Pt   O  O  O Pt   O         
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.679426   23.553335    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.824877   24.258676    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:44:41  -2.43   +inf  -414.083813    2      1      
iter:   2  09:46:38  -3.23  -3.11  -414.334708    3      1      
iter:   3  09:48:36  -3.71  -2.40  -414.083342    3      1      
iter:   4  09:50:33  -4.17  -3.47  -414.079147    3      1      
iter:   5  09:52:32  -4.37  -3.57  -414.080728    3      1      
iter:   6  09:54:30  -4.39  -3.66  -414.079034    3      1      
iter:   7  09:56:27  -4.91  -4.10  -414.078438    2      1      
iter:   8  09:58:26  -5.12  -4.11  -414.078598    3      1      
iter:   9  10:00:23  -5.31  -4.04  -414.078133    2      1      
iter:  10  10:02:21  -5.81  -4.36  -414.078547    2      1      
iter:  11  10:04:20  -6.40  -4.49  -414.078175    2      1      
iter:  12  10:06:18  -6.80  -4.44  -414.078604    2      1      
iter:  13  10:08:16  -6.70  -4.32  -414.078597    2      1      
iter:  14  10:10:14  -7.00  -4.49  -414.078438    2      1      
iter:  15  10:12:12  -7.05  -4.87  -414.078521    2      1      
iter:  16  10:14:03  -7.13  -4.72  -414.078425    2      1      
iter:  17  10:15:54  -7.46  -5.10  -414.078537    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961772, -32.497079, 0.140770) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +19.592247
Potential:     -137.700272
External:        +0.000000
XC:            -305.709262
Entropy (-ST):   -1.558517
Local:          +10.518007
--------------------------
Free energy:   -414.857795
Extrapolated:  -414.078537

Fermi level: -6.41709

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.47269    0.14123
  0   340     -6.47081    0.14026
  0   341     -6.45984    0.13451
  0   342     -6.43316    0.12002

  1   339     -6.39275    0.19531
  1   340     -6.34373    0.14418
  1   341     -6.31026    0.11366
  1   342     -6.29857    0.10405



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17469
  1 Pt    0.00000   -0.00323   -0.37761
  2 Pt    0.00000   -0.01881   -0.43443
  3 O    -1.68348    0.00033   -0.71924
  4 O     1.68348    0.00033   -0.71924
  5 O     0.00000   -0.01692   -1.38563
  6 O     0.00000   -0.00259    1.76424
  7 Pt   -0.00000    0.01346    0.44895
  8 Pt    0.00000   -0.02224    0.73986
  9 O    -1.58032    0.00056    0.05385
 10 O     1.58032    0.00056    0.05385
 11 O     0.00000   -0.00864   -0.56429
 12 O    -0.00000    0.07835    0.15909
 13 Pt   -0.00000    0.32092    0.00120
 14 Pt    0.00000   -0.01965    0.01066
 15 O     0.00485    0.01030    0.00330
 16 O    -0.00485    0.01030    0.00330
 17 O    -0.00000    0.00892   -1.21142
 18 O    -0.00000    0.01132    0.03417
 19 Pt    0.00000   -0.02075    0.13420
 20 Pt    0.00000   -0.07001    0.22584
 21 O    -0.22124    0.40816    0.25582
 22 O     0.22124    0.40816    0.25582
 23 O     0.00000   -0.01835   -0.06167
 24 O     0.00000   -0.00122    1.15006
 25 Pt   -0.00000    0.02071   -0.38043
 26 Pt    0.00000   -0.00013   -0.43710
 27 O    -1.69244    0.01315   -0.71819
 28 O     1.69244    0.01315   -0.71819
 29 O    -0.00000    0.04459   -1.39668
 30 O     0.00000   -0.00458    1.83268
 31 Pt   -0.00000    0.02013    0.50963
 32 Pt    0.00000   -0.13811    0.60048
 33 O    -1.61416   -0.01950    0.06957
 34 O     1.61416   -0.01950    0.06957
 35 O     0.00000   -0.03246   -0.52439
 36 O    -0.00000    0.23184   -0.15939
 37 Pt    0.00000   -0.50386   -0.02917
 38 Pt    0.00000   -0.00375   -0.01406
 39 O     0.01309    0.01189    0.01626
 40 O    -0.01309    0.01189    0.01626
 41 O    -0.00000    0.02042    0.56825
 42 O    -0.00000    0.03997   -0.01967
 43 Pt    0.00000   -0.03212    0.01222
 44 Pt    0.00000   -0.08772   -0.29163
 45 O    -0.13621   -0.59067    0.12278
 46 O     0.13621   -0.59067    0.12278
 47 O     0.00000   -0.02477   -0.02279
 48 O    -0.00000    0.02268    1.17252
 49 Pt    0.00000   -0.02545   -0.37976
 50 Pt   -0.00000    0.02085   -0.43680
 51 O    -1.69178   -0.01378   -0.71833
 52 O     1.69178   -0.01378   -0.71833
 53 O     0.00000   -0.00501   -1.40661
 54 O     0.00000   -0.00204    1.77325
 55 Pt    0.00000   -0.01281    0.51563
 56 Pt   -0.00000    0.10217    0.64782
 57 O    -1.61434    0.01433    0.08992
 58 O     1.61434    0.01433    0.08992
 59 O     0.00000   -0.02155   -0.51500
 60 O     0.00000   -0.28884   -0.10907
 61 Pt   -0.00000    0.16158   -0.09658
 62 Pt   -0.00000    0.01627   -0.00490
 63 O    -0.01105   -0.00799    0.00396
 64 O     0.01105   -0.00799    0.00396
 65 O    -0.00000    0.00877    0.00040
 66 O     0.00000   -0.02733    0.00162
 67 Pt   -0.00000    0.04186   -0.10879
 68 Pt   -0.00000    0.16680   -0.00387
 69 O     0.09796    0.15772   -0.12253
 70 O    -0.09796    0.15772   -0.12253
 71 O    -0.00000    0.01232   -0.03047
 72 N     0.00000   -0.16029    0.27758
 73 N    -0.00000    0.15744    0.08071

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
          O      O   PtO           
            Pt                     
        O          PtO             
         PtO PO      O             
                Pt O               
       Pt   O  O  O Pt   O         
           PtO  O                  
            O     Pt PtO           
        Pt O                       
          O Pt Pt   O  O           
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.677536   23.579482    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.833778   24.297673    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:20:16  -2.43   +inf  -414.094001    3      1      
iter:   2  10:22:15  -3.26  -3.14  -414.236730    3      1      
iter:   3  10:24:12  -3.75  -2.53  -414.102666    3      1      
iter:   4  10:26:09  -4.25  -3.24  -414.093806    3      1      
iter:   5  10:28:07  -4.41  -3.62  -414.092557    2      1      
iter:   6  10:30:05  -4.38  -3.82  -414.091893    2      1      
iter:   7  10:32:03  -4.93  -3.74  -414.091658    2      1      
iter:   8  10:34:02  -5.25  -4.04  -414.091893    2      1      
iter:   9  10:36:00  -5.42  -4.17  -414.090386    3      1      
iter:  10  10:37:57  -5.61  -4.00  -414.091820    3      1      
iter:  11  10:39:56  -6.22  -4.13  -414.091491    2      1      
iter:  12  10:41:54  -6.80  -4.65  -414.091497    2      1      
iter:  13  10:43:53  -6.71  -4.70  -414.091545    2      1      
iter:  14  10:45:51  -6.57  -4.36  -414.091455    2      1      
iter:  15  10:47:48  -7.08  -4.61  -414.091621    2      1      
iter:  16  10:49:45  -7.63  -4.83  -414.091403    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961829, -32.497283, 0.137118) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +19.500038
Potential:     -137.679667
External:        +0.000000
XC:            -305.652765
Entropy (-ST):   -1.559120
Local:          +10.520551
--------------------------
Free energy:   -414.870963
Extrapolated:  -414.091403

Fermi level: -6.41973

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.47537    0.14125
  0   340     -6.47347    0.14027
  0   341     -6.46276    0.13465
  0   342     -6.43647    0.12039

  1   339     -6.39562    0.19556
  1   340     -6.34629    0.14410
  1   341     -6.31308    0.11380
  1   342     -6.30118    0.10403



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17428
  1 Pt    0.00000   -0.00321   -0.37684
  2 Pt    0.00000   -0.01889   -0.43394
  3 O    -1.68243    0.00029   -0.71957
  4 O     1.68243    0.00029   -0.71957
  5 O     0.00000   -0.01667   -1.38644
  6 O     0.00000   -0.00263    1.76780
  7 Pt   -0.00000    0.01364    0.45047
  8 Pt    0.00000   -0.02308    0.74244
  9 O    -1.58073    0.00068    0.05361
 10 O     1.58073    0.00068    0.05361
 11 O     0.00000   -0.00862   -0.56442
 12 O    -0.00000    0.07482    0.15657
 13 Pt   -0.00000    0.32036   -0.00233
 14 Pt    0.00000   -0.01983    0.00878
 15 O     0.00368    0.01040    0.00290
 16 O    -0.00368    0.01040    0.00290
 17 O    -0.00000    0.00862   -1.21363
 18 O    -0.00000    0.01066    0.03347
 19 Pt    0.00000   -0.02133    0.13326
 20 Pt    0.00000   -0.07034    0.22165
 21 O    -0.22150    0.40820    0.25481
 22 O     0.22150    0.40820    0.25481
 23 O     0.00000   -0.01949   -0.06131
 24 O     0.00000   -0.00116    1.14969
 25 Pt   -0.00000    0.02048   -0.37954
 26 Pt    0.00000   -0.00009   -0.43649
 27 O    -1.69130    0.01313   -0.71854
 28 O     1.69130    0.01313   -0.71854
 29 O    -0.00000    0.04454   -1.39644
 30 O     0.00000   -0.00451    1.83655
 31 Pt   -0.00000    0.02026    0.51114
 32 Pt    0.00000   -0.13796    0.60077
 33 O    -1.61470   -0.01930    0.06953
 34 O     1.61470   -0.01930    0.06953
 35 O     0.00000   -0.03249   -0.52466
 36 O    -0.00000    0.23161   -0.15815
 37 Pt    0.00000   -0.49878   -0.03193
 38 Pt    0.00000   -0.00395   -0.01582
 39 O     0.01185    0.01190    0.01603
 40 O    -0.01185    0.01190    0.01603
 41 O    -0.00000    0.02134    0.55024
 42 O    -0.00000    0.03981   -0.02029
 43 Pt    0.00000   -0.03154    0.01477
 44 Pt    0.00000   -0.09038   -0.29128
 45 O    -0.14315   -0.57939    0.13359
 46 O     0.14315   -0.57939    0.13359
 47 O     0.00000   -0.02363   -0.02294
 48 O    -0.00000    0.02269    1.17213
 49 Pt    0.00000   -0.02525   -0.37892
 50 Pt   -0.00000    0.02089   -0.43642
 51 O    -1.69069   -0.01373   -0.71867
 52 O     1.69069   -0.01373   -0.71867
 53 O     0.00000   -0.00522   -1.40717
 54 O     0.00000   -0.00209    1.77634
 55 Pt    0.00000   -0.01309    0.51694
 56 Pt   -0.00000    0.10286    0.64992
 57 O    -1.61490    0.01399    0.08979
 58 O     1.61490    0.01399    0.08979
 59 O     0.00000   -0.02152   -0.51540
 60 O     0.00000   -0.28525   -0.11001
 61 Pt   -0.00000    0.15664   -0.09824
 62 Pt   -0.00000    0.01666   -0.00584
 63 O    -0.01211   -0.00809    0.00366
 64 O     0.01211   -0.00809    0.00366
 65 O    -0.00000    0.00860   -0.00282
 66 O     0.00000   -0.02671    0.00085
 67 Pt   -0.00000    0.04131   -0.10368
 68 Pt   -0.00000    0.16520   -0.00349
 69 O     0.09057    0.14635   -0.11501
 70 O    -0.09057    0.14635   -0.11501
 71 O    -0.00000    0.01243   -0.03006
 72 N     0.00000   -0.12155    0.38864
 73 N    -0.00000    0.20928    0.10119

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
          O          Pt            
            Pt   O     O           
                   PtO             
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  PtO       O             
            O   O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.675661   23.605702    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.842672   24.336672    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:56:23  -2.42   +inf  -414.109777    3      1      
iter:   2  10:58:20  -3.32  -3.39  -414.103149    3      1      
iter:   3  11:00:18  -3.88  -3.37  -414.107796    3      1      
iter:   4  11:02:16  -4.21  -3.66  -414.109922    3      1      
iter:   5  11:04:14  -4.44  -3.26  -414.106270    2      1      
iter:   6  11:06:12  -4.50  -3.41  -414.104952    2      1      
iter:   7  11:08:10  -4.92  -4.01  -414.104831    2      1      
iter:   8  11:10:07  -5.16  -4.06  -414.105096    2      1      
iter:   9  11:12:05  -5.40  -4.13  -414.103754    3      1      
iter:  10  11:14:03  -5.89  -4.08  -414.104746    2      1      
iter:  11  11:16:00  -6.47  -4.54  -414.104601    2      1      
iter:  12  11:17:59  -6.76  -4.37  -414.104885    2      1      
iter:  13  11:19:56  -6.60  -3.96  -414.104672    2      1      
iter:  14  11:21:53  -6.69  -4.72  -414.104633    2      1      
iter:  15  11:23:48  -6.86  -4.76  -414.104787    2      1      
iter:  16  11:25:39  -7.28  -4.82  -414.104547    2      1      
iter:  17  11:27:30  -7.51  -4.82  -414.104658    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961905, -32.496878, 0.133338) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +19.342081
Potential:     -137.595555
External:        +0.000000
XC:            -305.591611
Entropy (-ST):   -1.559131
Local:          +10.519994
--------------------------
Free energy:   -414.884223
Extrapolated:  -414.104658

Fermi level: -6.42274

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.47857    0.14134
  0   340     -6.47665    0.14036
  0   341     -6.46573    0.13463
  0   342     -6.43992    0.12063

  1   339     -6.39851    0.19543
  1   340     -6.34941    0.14421
  1   341     -6.31608    0.11379
  1   342     -6.30391    0.10380



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17439
  1 Pt    0.00000   -0.00318   -0.37686
  2 Pt    0.00000   -0.01882   -0.43364
  3 O    -1.68209    0.00030   -0.71939
  4 O     1.68209    0.00030   -0.71939
  5 O     0.00000   -0.01629   -1.38668
  6 O     0.00000   -0.00253    1.76932
  7 Pt   -0.00000    0.01349    0.45052
  8 Pt    0.00000   -0.02416    0.74291
  9 O    -1.58023    0.00058    0.05344
 10 O     1.58023    0.00058    0.05344
 11 O     0.00000   -0.00864   -0.56465
 12 O    -0.00000    0.07097    0.15543
 13 Pt   -0.00000    0.32105   -0.00239
 14 Pt    0.00000   -0.01982    0.01044
 15 O     0.00392    0.01044    0.00306
 16 O    -0.00392    0.01044    0.00306
 17 O    -0.00000    0.00878   -1.20975
 18 O    -0.00000    0.01055    0.03352
 19 Pt    0.00000   -0.02073    0.13442
 20 Pt    0.00000   -0.06696    0.22650
 21 O    -0.22136    0.40913    0.25519
 22 O     0.22136    0.40913    0.25519
 23 O     0.00000   -0.01797   -0.06214
 24 O     0.00000   -0.00112    1.14982
 25 Pt   -0.00000    0.02019   -0.37966
 26 Pt    0.00000   -0.00011   -0.43629
 27 O    -1.69100    0.01317   -0.71836
 28 O     1.69100    0.01317   -0.71836
 29 O    -0.00000    0.04438   -1.39638
 30 O     0.00000   -0.00463    1.83758
 31 Pt   -0.00000    0.02016    0.51097
 32 Pt    0.00000   -0.13774    0.59989
 33 O    -1.61405   -0.01952    0.06964
 34 O     1.61405   -0.01952    0.06964
 35 O     0.00000   -0.03247   -0.52480
 36 O    -0.00000    0.23221   -0.15527
 37 Pt    0.00000   -0.49350   -0.03164
 38 Pt    0.00000   -0.00372   -0.01413
 39 O     0.01286    0.01176    0.01622
 40 O    -0.01286    0.01176    0.01622
 41 O    -0.00000    0.02202    0.52634
 42 O    -0.00000    0.03986   -0.01964
 43 Pt    0.00000   -0.03108    0.02240
 44 Pt    0.00000   -0.09478   -0.28141
 45 O    -0.14965   -0.57128    0.14772
 46 O     0.14965   -0.57128    0.14772
 47 O     0.00000   -0.02482   -0.02567
 48 O    -0.00000    0.02261    1.17220
 49 Pt    0.00000   -0.02500   -0.37912
 50 Pt   -0.00000    0.02084   -0.43616
 51 O    -1.69038   -0.01378   -0.71849
 52 O     1.69038   -0.01378   -0.71849
 53 O     0.00000   -0.00545   -1.40731
 54 O     0.00000   -0.00206    1.77835
 55 Pt    0.00000   -0.01283    0.51700
 56 Pt   -0.00000    0.10372    0.65034
 57 O    -1.61429    0.01430    0.08993
 58 O     1.61429    0.01430    0.08993
 59 O     0.00000   -0.02152   -0.51522
 60 O     0.00000   -0.28231   -0.11115
 61 Pt   -0.00000    0.15033   -0.09784
 62 Pt   -0.00000    0.01640   -0.00496
 63 O    -0.01153   -0.00799    0.00377
 64 O     0.01153   -0.00799    0.00377
 65 O    -0.00000    0.00813    0.00236
 66 O     0.00000   -0.02672    0.00070
 67 Pt   -0.00000    0.03969   -0.09828
 68 Pt   -0.00000    0.16221   -0.00160
 69 O     0.08426    0.13780   -0.10956
 70 O    -0.08426    0.13780   -0.10956
 71 O    -0.00000    0.01205   -0.03138
 72 N     0.00000   -0.16104    0.40356
 73 N    -0.00000    0.22295    0.05121

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
          O          Pt            
            Pt   O     O           
                   Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  PtO       O             
            O   O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.673357   23.632680    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.851405   24.375707    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:31:52  -2.41   +inf  -414.135837    3      1      
iter:   2  11:33:49  -3.15  -2.93  -414.715590    3      1      
iter:   3  11:35:47  -3.58  -2.22  -414.123162    3      1      
iter:   4  11:37:44  -4.11  -3.33  -414.120955    3      1      
iter:   5  11:39:42  -4.19  -3.77  -414.116058    3      1      
iter:   6  11:41:40  -4.34  -3.56  -414.118934    3      1      
iter:   7  11:43:37  -4.95  -3.86  -414.118201    3      1      
iter:   8  11:45:36  -5.24  -4.06  -414.118264    3      1      
iter:   9  11:47:33  -5.41  -4.02  -414.119861    2      1      
iter:  10  11:49:31  -5.44  -3.44  -414.118004    3      1      
iter:  11  11:51:29  -6.00  -4.32  -414.118349    2      1      
iter:  12  11:53:27  -6.49  -4.54  -414.117935    2      1      
iter:  13  11:55:24  -6.67  -4.51  -414.118363    2      1      
iter:  14  11:57:22  -6.74  -4.63  -414.118248    2      1      
iter:  15  11:59:18  -6.95  -4.78  -414.118320    2      1      
iter:  16  12:01:14  -7.20  -4.24  -414.118217    2      1      
iter:  17  12:03:09  -7.78  -5.05  -414.118168    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961966, -32.496638, 0.129578) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +19.256865
Potential:     -137.562712
External:        +0.000000
XC:            -305.547005
Entropy (-ST):   -1.559474
Local:          +10.514421
--------------------------
Free energy:   -414.897905
Extrapolated:  -414.118168

Fermi level: -6.42605

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.48180    0.14131
  0   340     -6.47986    0.14031
  0   341     -6.46941    0.13483
  0   342     -6.44391    0.12101

  1   339     -6.40176    0.19537
  1   340     -6.35260    0.14409
  1   341     -6.31947    0.11387
  1   342     -6.30710    0.10372



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17412
  1 Pt    0.00000   -0.00312   -0.37629
  2 Pt    0.00000   -0.01885   -0.43402
  3 O    -1.68237    0.00033   -0.71902
  4 O     1.68237    0.00033   -0.71902
  5 O     0.00000   -0.01616   -1.38635
  6 O     0.00000   -0.00279    1.76848
  7 Pt   -0.00000    0.01356    0.45147
  8 Pt    0.00000   -0.02526    0.74451
  9 O    -1.58059    0.00055    0.05441
 10 O     1.58059    0.00055    0.05441
 11 O     0.00000   -0.00870   -0.56374
 12 O    -0.00000    0.06760    0.15457
 13 Pt   -0.00000    0.32106   -0.00419
 14 Pt    0.00000   -0.01963    0.01011
 15 O     0.00359    0.01064    0.00373
 16 O    -0.00359    0.01064    0.00373
 17 O    -0.00000    0.00856   -1.21143
 18 O    -0.00000    0.00963    0.03320
 19 Pt    0.00000   -0.02103    0.13440
 20 Pt    0.00000   -0.06638    0.22636
 21 O    -0.22158    0.40908    0.25468
 22 O     0.22158    0.40908    0.25468
 23 O     0.00000   -0.01830   -0.06204
 24 O     0.00000   -0.00112    1.14959
 25 Pt   -0.00000    0.02000   -0.37919
 26 Pt    0.00000   -0.00014   -0.43658
 27 O    -1.69124    0.01316   -0.71804
 28 O     1.69124    0.01316   -0.71804
 29 O    -0.00000    0.04442   -1.39538
 30 O     0.00000   -0.00441    1.83699
 31 Pt   -0.00000    0.02027    0.51218
 32 Pt    0.00000   -0.13737    0.59951
 33 O    -1.61435   -0.01941    0.07082
 34 O     1.61435   -0.01941    0.07082
 35 O     0.00000   -0.03243   -0.52394
 36 O    -0.00000    0.23228   -0.15293
 37 Pt    0.00000   -0.48803   -0.03278
 38 Pt    0.00000   -0.00403   -0.01423
 39 O     0.01236    0.01186    0.01713
 40 O    -0.01236    0.01186    0.01713
 41 O    -0.00000    0.02237    0.50372
 42 O    -0.00000    0.03975   -0.01948
 43 Pt    0.00000   -0.02992    0.02709
 44 Pt    0.00000   -0.09634   -0.27617
 45 O    -0.15493   -0.56183    0.15735
 46 O     0.15493   -0.56183    0.15735
 47 O     0.00000   -0.02426   -0.02672
 48 O    -0.00000    0.02262    1.17197
 49 Pt    0.00000   -0.02488   -0.37852
 50 Pt   -0.00000    0.02090   -0.43649
 51 O    -1.69059   -0.01381   -0.71813
 52 O     1.69059   -0.01381   -0.71813
 53 O     0.00000   -0.00564   -1.40664
 54 O     0.00000   -0.00202    1.77765
 55 Pt    0.00000   -0.01299    0.51786
 56 Pt   -0.00000    0.10444    0.65142
 57 O    -1.61472    0.01420    0.09105
 58 O     1.61472    0.01420    0.09105
 59 O     0.00000   -0.02150   -0.51463
 60 O     0.00000   -0.27921   -0.11133
 61 Pt   -0.00000    0.14464   -0.09832
 62 Pt   -0.00000    0.01653   -0.00481
 63 O    -0.01190   -0.00826    0.00459
 64 O     0.01190   -0.00826    0.00459
 65 O    -0.00000    0.00793    0.00100
 66 O     0.00000   -0.02588    0.00042
 67 Pt   -0.00000    0.03825   -0.09238
 68 Pt   -0.00000    0.16091    0.00022
 69 O     0.07821    0.12849   -0.10318
 70 O    -0.07821    0.12849   -0.10318
 71 O    -0.00000    0.01189   -0.03138
 72 N     0.00000   -0.21978    0.45573
 73 N    -0.00000    0.22062    0.03449

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
                     Pt            
          O Pt   O     O           
                   Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.670723   23.659846    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.860049   24.414762    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:09:32  -2.40   +inf  -414.135090    3      1      
iter:   2  12:11:29  -3.30  -3.32  -414.206029    3      1      
iter:   3  12:13:26  -3.83  -2.66  -414.132005    2      1      
iter:   4  12:15:23  -4.26  -3.66  -414.135283    3      1      
iter:   5  12:17:20  -4.20  -3.60  -414.130012    3      1      
iter:   6  12:19:18  -4.42  -3.73  -414.131323    3      1      
iter:   7  12:21:16  -5.02  -4.07  -414.131077    2      1      
iter:   8  12:23:13  -5.16  -4.00  -414.131561    3      1      
iter:   9  12:25:11  -5.34  -3.62  -414.131118    2      1      
iter:  10  12:27:08  -5.85  -4.06  -414.130751    2      1      
iter:  11  12:29:06  -6.56  -4.57  -414.131138    2      1      
iter:  12  12:31:04  -6.77  -4.51  -414.130716    2      1      
iter:  13  12:33:01  -6.67  -4.59  -414.130912    2      1      
iter:  14  12:34:57  -6.73  -4.81  -414.130941    2      1      
iter:  15  12:36:52  -7.34  -4.50  -414.130853    2      1      
iter:  16  12:38:42  -7.33  -4.41  -414.130943    2      1      
iter:  17  12:40:33  -7.60  -5.02  -414.130840    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962041, -32.496480, 0.125304) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +19.200711
Potential:     -137.555463
External:        +0.000000
XC:            -305.507301
Entropy (-ST):   -1.559817
Local:          +10.511121
--------------------------
Free energy:   -414.910748
Extrapolated:  -414.130840

Fermi level: -6.42949

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.48524    0.14131
  0   340     -6.48327    0.14029
  0   341     -6.47316    0.13499
  0   342     -6.44797    0.12135

  1   339     -6.40519    0.19536
  1   340     -6.35598    0.14404
  1   341     -6.32299    0.11394
  1   342     -6.31042    0.10362



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17427
  1 Pt    0.00000   -0.00310   -0.37611
  2 Pt    0.00000   -0.01884   -0.43329
  3 O    -1.68232    0.00031   -0.71901
  4 O     1.68232    0.00031   -0.71901
  5 O     0.00000   -0.01583   -1.38651
  6 O     0.00000   -0.00272    1.76897
  7 Pt   -0.00000    0.01351    0.45123
  8 Pt    0.00000   -0.02618    0.74532
  9 O    -1.58057    0.00053    0.05379
 10 O     1.58057    0.00053    0.05379
 11 O     0.00000   -0.00869   -0.56454
 12 O    -0.00000    0.06387    0.15256
 13 Pt   -0.00000    0.32139   -0.00686
 14 Pt    0.00000   -0.01981    0.00947
 15 O     0.00344    0.01065    0.00308
 16 O    -0.00344    0.01065    0.00308
 17 O    -0.00000    0.00844   -1.21212
 18 O    -0.00000    0.00923    0.03319
 19 Pt    0.00000   -0.02064    0.13415
 20 Pt    0.00000   -0.06354    0.22875
 21 O    -0.22094    0.40960    0.25450
 22 O     0.22094    0.40960    0.25450
 23 O     0.00000   -0.01758   -0.06229
 24 O     0.00000   -0.00107    1.14977
 25 Pt   -0.00000    0.01978   -0.37899
 26 Pt    0.00000   -0.00013   -0.43584
 27 O    -1.69118    0.01318   -0.71804
 28 O     1.69118    0.01318   -0.71804
 29 O    -0.00000    0.04431   -1.39506
 30 O     0.00000   -0.00449    1.83731
 31 Pt   -0.00000    0.02025    0.51179
 32 Pt    0.00000   -0.13722    0.59887
 33 O    -1.61428   -0.01949    0.07039
 34 O     1.61428   -0.01949    0.07039
 35 O     0.00000   -0.03244   -0.52466
 36 O    -0.00000    0.23272   -0.15118
 37 Pt    0.00000   -0.48265   -0.03491
 38 Pt    0.00000   -0.00379   -0.01500
 39 O     0.01270    0.01176    0.01643
 40 O    -0.01270    0.01176    0.01643
 41 O    -0.00000    0.02268    0.47864
 42 O    -0.00000    0.03995   -0.01921
 43 Pt    0.00000   -0.02953    0.03281
 44 Pt    0.00000   -0.09872   -0.27141
 45 O    -0.16089   -0.55303    0.17014
 46 O     0.16089   -0.55303    0.17014
 47 O     0.00000   -0.02495   -0.02841
 48 O    -0.00000    0.02257    1.17209
 49 Pt    0.00000   -0.02467   -0.37842
 50 Pt   -0.00000    0.02088   -0.43583
 51 O    -1.69055   -0.01380   -0.71813
 52 O     1.69055   -0.01380   -0.71813
 53 O     0.00000   -0.00586   -1.40675
 54 O     0.00000   -0.00202    1.77825
 55 Pt    0.00000   -0.01291    0.51758
 56 Pt   -0.00000    0.10520    0.65212
 57 O    -1.61466    0.01428    0.09066
 58 O     1.61466    0.01428    0.09066
 59 O     0.00000   -0.02151   -0.51512
 60 O     0.00000   -0.27620   -0.11281
 61 Pt   -0.00000    0.13879   -0.09999
 62 Pt   -0.00000    0.01646   -0.00579
 63 O    -0.01185   -0.00815    0.00394
 64 O     0.01185   -0.00815    0.00394
 65 O    -0.00000    0.00762   -0.00018
 66 O     0.00000   -0.02581    0.00012
 67 Pt   -0.00000    0.03691   -0.08781
 68 Pt   -0.00000    0.15805    0.00060
 69 O     0.07210    0.11948   -0.09734
 70 O    -0.07210    0.11948   -0.09734
 71 O    -0.00000    0.01177   -0.03217
 72 N     0.00000   -0.14674    0.41408
 73 N    -0.00000    0.23954   -0.04024

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.668448   23.687684    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.868903   24.453770    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:44:54  -2.41   +inf  -414.147961    3      1      
iter:   2  12:46:51  -3.32  -3.31  -414.190028    3      1      
iter:   3  12:48:49  -3.85  -2.74  -414.141406    3      1      
iter:   4  12:50:47  -4.31  -3.46  -414.145525    3      1      
iter:   5  12:52:45  -4.21  -3.60  -414.141052    3      1      
iter:   6  12:54:43  -4.40  -3.80  -414.141558    2      1      
iter:   7  12:56:41  -4.98  -3.93  -414.141699    2      1      
iter:   8  12:58:39  -5.38  -3.94  -414.142111    2      1      
iter:   9  13:00:38  -5.47  -3.86  -414.141335    3      1      
iter:  10  13:02:36  -5.78  -4.33  -414.141525    2      1      
iter:  11  13:04:34  -6.26  -4.47  -414.141184    2      1      
iter:  12  13:06:32  -6.82  -4.41  -414.141475    2      1      
iter:  13  13:08:30  -6.72  -4.58  -414.141361    2      1      
iter:  14  13:10:28  -6.76  -4.54  -414.141248    2      1      
iter:  15  13:12:26  -7.00  -4.23  -414.141381    2      1      
iter:  16  13:14:24  -7.44  -4.86  -414.141304    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962102, -32.496110, 0.121093) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +19.169771
Potential:     -137.572768
External:        +0.000000
XC:            -305.472286
Entropy (-ST):   -1.559972
Local:          +10.513966
--------------------------
Free energy:   -414.921290
Extrapolated:  -414.141304

Fermi level: -6.43314

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.48892    0.14132
  0   340     -6.48693    0.14030
  0   341     -6.47710    0.13515
  0   342     -6.45220    0.12167

  1   339     -6.40871    0.19521
  1   340     -6.35962    0.14402
  1   341     -6.32669    0.11398
  1   342     -6.31387    0.10346



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17424
  1 Pt    0.00000   -0.00305   -0.37641
  2 Pt    0.00000   -0.01884   -0.43397
  3 O    -1.68253    0.00035   -0.71915
  4 O     1.68253    0.00035   -0.71915
  5 O     0.00000   -0.01562   -1.38689
  6 O     0.00000   -0.00286    1.76800
  7 Pt   -0.00000    0.01349    0.45083
  8 Pt    0.00000   -0.02723    0.74565
  9 O    -1.58055    0.00048    0.05338
 10 O     1.58055    0.00048    0.05338
 11 O     0.00000   -0.00875   -0.56475
 12 O    -0.00000    0.06063    0.15097
 13 Pt   -0.00000    0.32148   -0.00858
 14 Pt    0.00000   -0.01973    0.00955
 15 O     0.00333    0.01074    0.00297
 16 O    -0.00333    0.01074    0.00297
 17 O    -0.00000    0.00827   -1.21147
 18 O    -0.00000    0.00868    0.03275
 19 Pt    0.00000   -0.02066    0.13473
 20 Pt    0.00000   -0.06239    0.22893
 21 O    -0.22116    0.40983    0.25405
 22 O     0.22116    0.40983    0.25405
 23 O     0.00000   -0.01778   -0.06278
 24 O     0.00000   -0.00107    1.14977
 25 Pt   -0.00000    0.01958   -0.37938
 26 Pt    0.00000   -0.00016   -0.43644
 27 O    -1.69137    0.01316   -0.71823
 28 O     1.69137    0.01316   -0.71823
 29 O    -0.00000    0.04431   -1.39495
 30 O     0.00000   -0.00436    1.83645
 31 Pt   -0.00000    0.02031    0.51139
 32 Pt    0.00000   -0.13691    0.59749
 33 O    -1.61420   -0.01944    0.07023
 34 O     1.61420   -0.01944    0.07023
 35 O     0.00000   -0.03238   -0.52491
 36 O    -0.00000    0.23287   -0.14988
 37 Pt    0.00000   -0.47678   -0.03578
 38 Pt    0.00000   -0.00395   -0.01475
 39 O     0.01266    0.01185    0.01645
 40 O    -0.01266    0.01185    0.01645
 41 O    -0.00000    0.02265    0.45740
 42 O    -0.00000    0.03975   -0.01920
 43 Pt    0.00000   -0.02866    0.03761
 44 Pt    0.00000   -0.09840   -0.26471
 45 O    -0.16554   -0.54482    0.17689
 46 O     0.16554   -0.54482    0.17689
 47 O     0.00000   -0.02434   -0.02979
 48 O    -0.00000    0.02256    1.17206
 49 Pt    0.00000   -0.02454   -0.37872
 50 Pt   -0.00000    0.02091   -0.43647
 51 O    -1.69071   -0.01383   -0.71829
 52 O     1.69071   -0.01383   -0.71829
 53 O     0.00000   -0.00607   -1.40690
 54 O     0.00000   -0.00200    1.77750
 55 Pt    0.00000   -0.01293    0.51715
 56 Pt   -0.00000    0.10590    0.65215
 57 O    -1.61467    0.01428    0.09044
 58 O     1.61467    0.01428    0.09044
 59 O     0.00000   -0.02149   -0.51543
 60 O     0.00000   -0.27333   -0.11400
 61 Pt   -0.00000    0.13283   -0.10045
 62 Pt   -0.00000    0.01655   -0.00563
 63 O    -0.01191   -0.00830    0.00382
 64 O     0.01191   -0.00830    0.00382
 65 O    -0.00000    0.00737    0.00097
 66 O     0.00000   -0.02512   -0.00039
 67 Pt   -0.00000    0.03549   -0.08156
 68 Pt   -0.00000    0.15653    0.00295
 69 O     0.06606    0.11121   -0.09249
 70 O    -0.06606    0.11121   -0.09249
 71 O    -0.00000    0.01143   -0.03235
 72 N     0.00000   -0.15276    0.34652
 73 N    -0.00000    0.20012   -0.01937

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.665338   23.715156    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.877460   24.492844    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:20:42  -2.41   +inf  -414.154328    3      1      
iter:   2  13:22:38  -3.31  -3.35  -414.213660    3      1      
iter:   3  13:24:36  -3.83  -2.70  -414.152857    2      1      
iter:   4  13:26:33  -4.16  -3.76  -414.155274    3      1      
iter:   5  13:28:31  -4.17  -3.59  -414.149683    3      1      
iter:   6  13:30:29  -4.52  -3.67  -414.151610    3      1      
iter:   7  13:32:26  -5.05  -4.15  -414.151234    3      1      
iter:   8  13:34:24  -5.08  -4.03  -414.151182    3      1      
iter:   9  13:36:22  -5.69  -4.21  -414.151285    2      1      
iter:  10  13:38:20  -6.05  -4.15  -414.151206    2      1      
iter:  11  13:40:17  -6.32  -4.35  -414.151306    2      1      
iter:  12  13:42:16  -6.45  -4.66  -414.150823    2      1      
iter:  13  13:44:14  -6.73  -4.42  -414.151431    2      1      
iter:  14  13:46:09  -7.08  -4.57  -414.151224    2      1      
iter:  15  13:48:04  -7.04  -4.74  -414.151161    2      1      
iter:  16  13:49:56  -7.86  -4.66  -414.151197    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962166, -32.496023, 0.116399) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +19.143703
Potential:     -137.594839
External:        +0.000000
XC:            -305.436713
Entropy (-ST):   -1.560121
Local:          +10.516713
--------------------------
Free energy:   -414.931257
Extrapolated:  -414.151197

Fermi level: -6.43709

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.49294    0.14136
  0   340     -6.49092    0.14032
  0   341     -6.48133    0.13529
  0   342     -6.45669    0.12196

  1   339     -6.41256    0.19510
  1   340     -6.36359    0.14404
  1   341     -6.33072    0.11404
  1   342     -6.31763    0.10331



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17408
  1 Pt    0.00000   -0.00304   -0.37658
  2 Pt    0.00000   -0.01887   -0.43404
  3 O    -1.68255    0.00031   -0.71912
  4 O     1.68255    0.00031   -0.71912
  5 O     0.00000   -0.01535   -1.38707
  6 O     0.00000   -0.00279    1.76825
  7 Pt   -0.00000    0.01358    0.45105
  8 Pt    0.00000   -0.02798    0.74656
  9 O    -1.58032    0.00056    0.05346
 10 O     1.58032    0.00056    0.05346
 11 O     0.00000   -0.00871   -0.56448
 12 O    -0.00000    0.05742    0.14964
 13 Pt   -0.00000    0.32137   -0.00978
 14 Pt    0.00000   -0.01990    0.00982
 15 O     0.00303    0.01074    0.00324
 16 O    -0.00303    0.01074    0.00324
 17 O    -0.00000    0.00801   -1.21047
 18 O    -0.00000    0.00831    0.03262
 19 Pt    0.00000   -0.02083    0.13521
 20 Pt    0.00000   -0.06062    0.23021
 21 O    -0.22130    0.41008    0.25366
 22 O     0.22130    0.41008    0.25366
 23 O     0.00000   -0.01786   -0.06329
 24 O     0.00000   -0.00101    1.14964
 25 Pt   -0.00000    0.01940   -0.37945
 26 Pt    0.00000   -0.00012   -0.43647
 27 O    -1.69135    0.01319   -0.71819
 28 O     1.69135    0.01319   -0.71819
 29 O    -0.00000    0.04426   -1.39452
 30 O     0.00000   -0.00439    1.83658
 31 Pt   -0.00000    0.02029    0.51157
 32 Pt    0.00000   -0.13683    0.59674
 33 O    -1.61398   -0.01941    0.07043
 34 O     1.61398   -0.01941    0.07043
 35 O     0.00000   -0.03245   -0.52478
 36 O    -0.00000    0.23295   -0.14823
 37 Pt    0.00000   -0.47128   -0.03623
 38 Pt    0.00000   -0.00396   -0.01413
 39 O     0.01255    0.01183    0.01666
 40 O    -0.01255    0.01183    0.01666
 41 O    -0.00000    0.02275    0.43819
 42 O    -0.00000    0.03970   -0.01917
 43 Pt    0.00000   -0.02802    0.04258
 44 Pt    0.00000   -0.09957   -0.26018
 45 O    -0.17093   -0.53652    0.18559
 46 O     0.17093   -0.53652    0.18559
 47 O     0.00000   -0.02427   -0.03150
 48 O    -0.00000    0.02255    1.17191
 49 Pt    0.00000   -0.02438   -0.37887
 50 Pt   -0.00000    0.02091   -0.43665
 51 O    -1.69072   -0.01381   -0.71826
 52 O     1.69072   -0.01381   -0.71826
 53 O     0.00000   -0.00629   -1.40697
 54 O     0.00000   -0.00204    1.77753
 55 Pt    0.00000   -0.01300    0.51721
 56 Pt   -0.00000    0.10654    0.65272
 57 O    -1.61447    0.01415    0.09059
 58 O     1.61447    0.01415    0.09059
 59 O     0.00000   -0.02147   -0.51527
 60 O     0.00000   -0.27042   -0.11449
 61 Pt   -0.00000    0.12744   -0.10011
 62 Pt   -0.00000    0.01672   -0.00489
 63 O    -0.01201   -0.00826    0.00408
 64 O     0.01201   -0.00826    0.00408
 65 O    -0.00000    0.00705    0.00176
 66 O     0.00000   -0.02485   -0.00062
 67 Pt   -0.00000    0.03446   -0.07626
 68 Pt   -0.00000    0.15539    0.00413
 69 O     0.06041    0.10270   -0.08712
 70 O    -0.06041    0.10270   -0.08712
 71 O    -0.00000    0.01144   -0.03304
 72 N     0.00000   -0.16642    0.34095
 73 N    -0.00000    0.18657   -0.00577

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.662000   23.742874    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.885712   24.531983    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:54:18  -2.39   +inf  -414.166986    3      1      
iter:   2  13:56:15  -3.22  -3.08  -414.439799    3      1      
iter:   3  13:58:12  -3.69  -2.38  -414.164541    2      1      
iter:   4  14:00:10  -4.10  -3.58  -414.159268    3      1      
iter:   5  14:02:08  -4.17  -3.57  -414.162789    3      1      
iter:   6  14:04:06  -4.38  -3.49  -414.160478    3      1      
iter:   7  14:06:04  -5.06  -4.14  -414.160043    2      1      
iter:   8  14:08:02  -5.16  -4.13  -414.160081    3      1      
iter:   9  14:10:00  -5.22  -4.25  -414.159788    2      1      
iter:  10  14:11:57  -5.77  -4.32  -414.160131    2      1      
iter:  11  14:13:55  -6.48  -4.60  -414.160026    2      1      
iter:  12  14:15:53  -6.63  -4.56  -414.160115    2      1      
iter:  13  14:17:51  -6.79  -4.73  -414.160259    2      1      
iter:  14  14:19:49  -6.93  -4.57  -414.159960    2      1      
iter:  15  14:21:47  -7.23  -4.75  -414.160108    2      1      
iter:  16  14:23:40  -7.73  -5.28  -414.160082    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962206, -32.495763, 0.112304) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +19.081501
Potential:     -137.581511
External:        +0.000000
XC:            -305.398031
Entropy (-ST):   -1.560509
Local:          +10.518213
--------------------------
Free energy:   -414.940337
Extrapolated:  -414.160082

Fermi level: -6.44061

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.49635    0.14130
  0   340     -6.49428    0.14023
  0   341     -6.48542    0.13559
  0   342     -6.46087    0.12233

  1   339     -6.41603    0.19504
  1   340     -6.36696    0.14390
  1   341     -6.33434    0.11413
  1   342     -6.32108    0.10325



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17424
  1 Pt    0.00000   -0.00301   -0.37646
  2 Pt    0.00000   -0.01885   -0.43408
  3 O    -1.68291    0.00032   -0.71919
  4 O     1.68291    0.00032   -0.71919
  5 O     0.00000   -0.01507   -1.38712
  6 O     0.00000   -0.00276    1.76625
  7 Pt   -0.00000    0.01356    0.45037
  8 Pt    0.00000   -0.02882    0.74659
  9 O    -1.58056    0.00055    0.05301
 10 O     1.58056    0.00055    0.05301
 11 O     0.00000   -0.00875   -0.56506
 12 O    -0.00000    0.05442    0.14859
 13 Pt   -0.00000    0.32158   -0.01215
 14 Pt    0.00000   -0.02002    0.00920
 15 O     0.00279    0.01069    0.00336
 16 O    -0.00279    0.01069    0.00336
 17 O    -0.00000    0.00785   -1.21313
 18 O    -0.00000    0.00797    0.03306
 19 Pt    0.00000   -0.02066    0.13478
 20 Pt    0.00000   -0.05844    0.23052
 21 O    -0.22053    0.41023    0.25335
 22 O     0.22053    0.41023    0.25335
 23 O     0.00000   -0.01784   -0.06388
 24 O     0.00000   -0.00099    1.14983
 25 Pt   -0.00000    0.01924   -0.37932
 26 Pt    0.00000   -0.00014   -0.43649
 27 O    -1.69170    0.01319   -0.71824
 28 O     1.69170    0.01319   -0.71824
 29 O    -0.00000    0.04416   -1.39424
 30 O     0.00000   -0.00445    1.83447
 31 Pt   -0.00000    0.02028    0.51073
 32 Pt    0.00000   -0.13670    0.59545
 33 O    -1.61418   -0.01944    0.07014
 34 O     1.61418   -0.01944    0.07014
 35 O     0.00000   -0.03244   -0.52524
 36 O    -0.00000    0.23338   -0.14665
 37 Pt    0.00000   -0.46575   -0.03762
 38 Pt    0.00000   -0.00381   -0.01473
 39 O     0.01266    0.01184    0.01683
 40 O    -0.01266    0.01184    0.01683
 41 O    -0.00000    0.02263    0.41468
 42 O    -0.00000    0.03972   -0.01874
 43 Pt    0.00000   -0.02755    0.04651
 44 Pt    0.00000   -0.09980   -0.25266
 45 O    -0.17491   -0.52913    0.19275
 46 O     0.17491   -0.52913    0.19275
 47 O     0.00000   -0.02419   -0.03319
 48 O    -0.00000    0.02252    1.17205
 49 Pt    0.00000   -0.02425   -0.37880
 50 Pt   -0.00000    0.02090   -0.43675
 51 O    -1.69108   -0.01383   -0.71833
 52 O     1.69108   -0.01383   -0.71833
 53 O     0.00000   -0.00646   -1.40696
 54 O     0.00000   -0.00201    1.77560
 55 Pt    0.00000   -0.01296    0.51652
 56 Pt   -0.00000    0.10722    0.65269
 57 O    -1.61468    0.01418    0.09036
 58 O     1.61468    0.01418    0.09036
 59 O     0.00000   -0.02144   -0.51563
 60 O     0.00000   -0.26807   -0.11532
 61 Pt   -0.00000    0.12174   -0.10125
 62 Pt   -0.00000    0.01667   -0.00566
 63 O    -0.01211   -0.00821    0.00425
 64 O     0.01211   -0.00821    0.00425
 65 O    -0.00000    0.00678   -0.00154
 66 O     0.00000   -0.02459   -0.00052
 67 Pt   -0.00000    0.03329   -0.07189
 68 Pt   -0.00000    0.15336    0.00469
 69 O     0.05544    0.09529   -0.08294
 70 O    -0.05544    0.09529   -0.08294
 71 O    -0.00000    0.01130   -0.03369
 72 N     0.00000   -0.17642    0.27008
 73 N    -0.00000    0.14072   -0.00850

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.658665   23.770537    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.893972   24.571121    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:31:00  -2.39   +inf  -414.172030    3      1      
iter:   2  14:32:57  -3.28  -3.41  -414.202749    3      1      
iter:   3  14:34:55  -3.80  -2.81  -414.172689    2      1      
iter:   4  14:36:52  -4.06  -3.43  -414.172090    3      1      
iter:   5  14:38:50  -4.17  -3.72  -414.167426    3      1      
iter:   6  14:40:48  -4.65  -3.62  -414.169575    3      1      
iter:   7  14:42:46  -5.10  -4.12  -414.169561    2      1      
iter:   8  14:44:44  -5.06  -4.09  -414.169293    3      1      
iter:   9  14:46:42  -5.61  -4.17  -414.169139    2      1      
iter:  10  14:48:40  -6.11  -4.44  -414.169311    2      1      
iter:  11  14:50:37  -6.41  -4.20  -414.169215    2      1      
iter:  12  14:52:35  -6.48  -4.53  -414.169042    2      1      
iter:  13  14:54:33  -6.61  -4.40  -414.169540    2      1      
iter:  14  14:56:30  -7.08  -4.59  -414.169224    2      1      
iter:  15  14:58:28  -7.33  -4.90  -414.169225    2      1      
iter:  16  15:00:19  -7.74  -5.24  -414.169200    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962265, -32.495571, 0.107400) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.970790
Potential:     -137.522690
External:        +0.000000
XC:            -305.353063
Entropy (-ST):   -1.560757
Local:          +10.516141
--------------------------
Free energy:   -414.949578
Extrapolated:  -414.169200

Fermi level: -6.44476

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50048    0.14129
  0   340     -6.49837    0.14020
  0   341     -6.49001    0.13583
  0   342     -6.46557    0.12263

  1   339     -6.42007    0.19494
  1   340     -6.37105    0.14384
  1   341     -6.33857    0.11420
  1   342     -6.32508    0.10314



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17444
  1 Pt    0.00000   -0.00301   -0.37641
  2 Pt    0.00000   -0.01888   -0.43368
  3 O    -1.68326    0.00029   -0.71896
  4 O     1.68326    0.00029   -0.71896
  5 O     0.00000   -0.01481   -1.38710
  6 O     0.00000   -0.00269    1.76558
  7 Pt   -0.00000    0.01359    0.44990
  8 Pt    0.00000   -0.02951    0.74691
  9 O    -1.58052    0.00061    0.05260
 10 O     1.58052    0.00061    0.05260
 11 O     0.00000   -0.00870   -0.56552
 12 O    -0.00000    0.05163    0.14711
 13 Pt   -0.00000    0.32178   -0.01447
 14 Pt    0.00000   -0.02016    0.00853
 15 O     0.00262    0.01073    0.00278
 16 O    -0.00262    0.01073    0.00278
 17 O    -0.00000    0.00761   -1.21436
 18 O    -0.00000    0.00767    0.03283
 19 Pt    0.00000   -0.02056    0.13451
 20 Pt    0.00000   -0.05588    0.23264
 21 O    -0.22017    0.41041    0.25268
 22 O     0.22017    0.41041    0.25268
 23 O     0.00000   -0.01753   -0.06436
 24 O     0.00000   -0.00092    1.15006
 25 Pt   -0.00000    0.01909   -0.37921
 26 Pt    0.00000   -0.00008   -0.43607
 27 O    -1.69201    0.01321   -0.71805
 28 O     1.69201    0.01321   -0.71805
 29 O    -0.00000    0.04407   -1.39391
 30 O     0.00000   -0.00456    1.83360
 31 Pt   -0.00000    0.02027    0.51024
 32 Pt    0.00000   -0.13671    0.59450
 33 O    -1.61413   -0.01948    0.06991
 34 O     1.61413   -0.01948    0.06991
 35 O     0.00000   -0.03252   -0.52565
 36 O    -0.00000    0.23352   -0.14570
 37 Pt    0.00000   -0.46061   -0.03939
 38 Pt    0.00000   -0.00368   -0.01528
 39 O     0.01274    0.01182    0.01612
 40 O    -0.01274    0.01182    0.01612
 41 O    -0.00000    0.02245    0.39379
 42 O    -0.00000    0.03980   -0.01879
 43 Pt    0.00000   -0.02700    0.05137
 44 Pt    0.00000   -0.10070   -0.24666
 45 O    -0.17954   -0.52175    0.20067
 46 O     0.17954   -0.52175    0.20067
 47 O     0.00000   -0.02469   -0.03499
 48 O    -0.00000    0.02248    1.17225
 49 Pt    0.00000   -0.02412   -0.37883
 50 Pt   -0.00000    0.02087   -0.43647
 51 O    -1.69143   -0.01381   -0.71814
 52 O     1.69143   -0.01381   -0.71814
 53 O     0.00000   -0.00662   -1.40694
 54 O     0.00000   -0.00197    1.77471
 55 Pt    0.00000   -0.01297    0.51601
 56 Pt   -0.00000    0.10788    0.65284
 57 O    -1.61459    0.01415    0.09005
 58 O     1.61459    0.01415    0.09005
 59 O     0.00000   -0.02140   -0.51601
 60 O     0.00000   -0.26567   -0.11637
 61 Pt   -0.00000    0.11648   -0.10247
 62 Pt   -0.00000    0.01668   -0.00625
 63 O    -0.01223   -0.00820    0.00359
 64 O     0.01223   -0.00820    0.00359
 65 O    -0.00000    0.00654   -0.00299
 66 O     0.00000   -0.02441   -0.00087
 67 Pt   -0.00000    0.03213   -0.06786
 68 Pt   -0.00000    0.15184    0.00475
 69 O     0.05053    0.08790   -0.07894
 70 O    -0.05053    0.08790   -0.07894
 71 O    -0.00000    0.01148   -0.03463
 72 N     0.00000   -0.17942    0.37821
 73 N    -0.00000    0.12319   -0.10334

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.654979   23.800377    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.901810   24.610346    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:04:42  -2.36   +inf  -414.202940    3      1      
iter:   2  15:06:41  -3.12  -2.94  -414.693785    3      1      
iter:   3  15:08:40  -3.58  -2.24  -414.183110    3      1      
iter:   4  15:10:37  -4.15  -3.38  -414.185353    3      1      
iter:   5  15:12:36  -4.31  -3.61  -414.178847    3      1      
iter:   6  15:14:34  -4.29  -3.62  -414.179692    3      1      
iter:   7  15:16:31  -5.04  -3.98  -414.180755    3      1      
iter:   8  15:18:29  -5.16  -4.10  -414.179954    3      1      
iter:   9  15:20:27  -5.28  -4.18  -414.181921    2      1      
iter:  10  15:22:24  -5.44  -3.42  -414.181519    2      1      
iter:  11  15:24:22  -5.79  -3.87  -414.179820    3      1      
iter:  12  15:26:20  -5.79  -4.30  -414.180045    2      1      
iter:  13  15:28:18  -6.43  -4.74  -414.180031    2      1      
iter:  14  15:30:16  -6.43  -4.81  -414.180228    3      1      
iter:  15  15:32:12  -6.88  -4.61  -414.180148    2      1      
iter:  16  15:34:08  -7.00  -4.21  -414.179785    2      1      
iter:  17  15:36:03  -7.38  -4.54  -414.180052    2      1      
iter:  18  15:37:55  -7.65  -4.93  -414.179999    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962345, -32.495459, 0.101662) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +19.042588
Potential:     -137.608516
External:        +0.000000
XC:            -305.347824
Entropy (-ST):   -1.561074
Local:          +10.514289
--------------------------
Free energy:   -414.960536
Extrapolated:  -414.179999

Fermi level: -6.44960

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50531    0.14128
  0   340     -6.50314    0.14016
  0   341     -6.49535    0.13609
  0   342     -6.47098    0.12294

  1   339     -6.42489    0.19490
  1   340     -6.37583    0.14378
  1   341     -6.34350    0.11427
  1   342     -6.32981    0.10304



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17433
  1 Pt    0.00000   -0.00301   -0.37634
  2 Pt    0.00000   -0.01890   -0.43376
  3 O    -1.68351    0.00026   -0.71898
  4 O     1.68351    0.00026   -0.71898
  5 O     0.00000   -0.01457   -1.38702
  6 O     0.00000   -0.00269    1.76502
  7 Pt   -0.00000    0.01362    0.44986
  8 Pt    0.00000   -0.03031    0.74749
  9 O    -1.58058    0.00066    0.05240
 10 O     1.58058    0.00066    0.05240
 11 O     0.00000   -0.00869   -0.56581
 12 O    -0.00000    0.04860    0.14581
 13 Pt   -0.00000    0.32189   -0.01635
 14 Pt    0.00000   -0.02026    0.00810
 15 O     0.00238    0.01067    0.00258
 16 O    -0.00238    0.01067    0.00258
 17 O    -0.00000    0.00737   -1.21445
 18 O    -0.00000    0.00728    0.03298
 19 Pt    0.00000   -0.02030    0.13552
 20 Pt    0.00000   -0.05331    0.23649
 21 O    -0.21981    0.41064    0.25285
 22 O     0.21981    0.41064    0.25285
 23 O     0.00000   -0.01702   -0.06397
 24 O     0.00000   -0.00087    1.14997
 25 Pt   -0.00000    0.01894   -0.37913
 26 Pt    0.00000   -0.00006   -0.43615
 27 O    -1.69223    0.01323   -0.71807
 28 O     1.69223    0.01323   -0.71807
 29 O    -0.00000    0.04400   -1.39350
 30 O     0.00000   -0.00462    1.83292
 31 Pt   -0.00000    0.02026    0.51016
 32 Pt    0.00000   -0.13666    0.59388
 33 O    -1.61414   -0.01953    0.06983
 34 O     1.61414   -0.01953    0.06983
 35 O     0.00000   -0.03256   -0.52580
 36 O    -0.00000    0.23381   -0.14425
 37 Pt    0.00000   -0.45491   -0.04054
 38 Pt    0.00000   -0.00345   -0.01565
 39 O     0.01270    0.01189    0.01586
 40 O    -0.01270    0.01189    0.01586
 41 O    -0.00000    0.02205    0.37148
 42 O    -0.00000    0.03994   -0.01878
 43 Pt    0.00000   -0.02640    0.05798
 44 Pt    0.00000   -0.10067   -0.23781
 45 O    -0.18418   -0.51423    0.20985
 46 O     0.18418   -0.51423    0.20985
 47 O     0.00000   -0.02498   -0.03523
 48 O    -0.00000    0.02245    1.17215
 49 Pt    0.00000   -0.02398   -0.37882
 50 Pt   -0.00000    0.02087   -0.43665
 51 O    -1.69168   -0.01381   -0.71818
 52 O     1.69168   -0.01381   -0.71818
 53 O     0.00000   -0.00679   -1.40684
 54 O     0.00000   -0.00192    1.77403
 55 Pt    0.00000   -0.01297    0.51599
 56 Pt   -0.00000    0.10859    0.65340
 57 O    -1.61459    0.01413    0.09003
 58 O     1.61459    0.01413    0.09003
 59 O     0.00000   -0.02138   -0.51609
 60 O     0.00000   -0.26314   -0.11712
 61 Pt   -0.00000    0.11085   -0.10322
 62 Pt   -0.00000    0.01657   -0.00663
 63 O    -0.01243   -0.00820    0.00336
 64 O     0.01243   -0.00820    0.00336
 65 O    -0.00000    0.00624   -0.00414
 66 O     0.00000   -0.02421   -0.00116
 67 Pt   -0.00000    0.03074   -0.06142
 68 Pt   -0.00000    0.15025    0.00766
 69 O     0.04560    0.08029   -0.07304
 70 O    -0.04560    0.08029   -0.07304
 71 O    -0.00000    0.01119   -0.03451
 72 N     0.00000   -0.03556    0.33610
 73 N    -0.00000    0.09839    0.05205

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.651394   23.831556    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.908380   24.649802    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:42:18  -2.35   +inf  -414.221946    3      1      
iter:   2  15:44:20  -3.05  -2.86  -414.972172    3      1      
iter:   3  15:46:22  -3.48  -2.16  -414.192178    3      1      
iter:   4  15:48:24  -4.10  -3.35  -414.194761    3      1      
iter:   5  15:50:26  -4.40  -3.62  -414.188559    3      1      
iter:   6  15:52:29  -4.27  -3.62  -414.188558    3      1      
iter:   7  15:54:30  -5.01  -3.90  -414.189931    3      1      
iter:   8  15:56:32  -5.14  -4.02  -414.189249    3      1      
iter:   9  15:58:33  -5.39  -4.14  -414.189803    2      1      
iter:  10  16:00:33  -5.53  -3.55  -414.190718    3      1      
iter:  11  16:02:34  -5.61  -3.95  -414.188709    3      1      
iter:  12  16:04:36  -5.80  -4.22  -414.189039    2      1      
iter:  13  16:06:37  -6.24  -4.49  -414.189099    2      1      
iter:  14  16:08:38  -6.44  -4.71  -414.189295    2      1      
iter:  15  16:10:39  -6.40  -4.56  -414.189442    2      1      
iter:  16  16:12:33  -6.75  -4.14  -414.188769    2      1      
iter:  17  16:14:25  -6.89  -4.42  -414.189271    2      1      
iter:  18  16:16:18  -7.16  -4.80  -414.189081    2      1      
iter:  19  16:18:11  -7.34  -5.16  -414.189109    2      1      
iter:  20  16:20:04  -8.02  -5.45  -414.189109    2      1      

Converged after 20 iterations.

Dipole moment: (-55.962403, -32.494853, 0.095887) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +19.094939
Potential:     -137.684247
External:        +0.000000
XC:            -305.334146
Entropy (-ST):   -1.561362
Local:          +10.515026
--------------------------
Free energy:   -414.969791
Extrapolated:  -414.189109

Fermi level: -6.45413

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51005    0.14139
  0   340     -6.50782    0.14025
  0   341     -6.50024    0.13629
  0   342     -6.47600    0.12322

  1   339     -6.42938    0.19486
  1   340     -6.38041    0.14384
  1   341     -6.34811    0.11435
  1   342     -6.33412    0.10287



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17443
  1 Pt    0.00000   -0.00297   -0.37594
  2 Pt    0.00000   -0.01891   -0.43323
  3 O    -1.68276    0.00028   -0.71895
  4 O     1.68276    0.00028   -0.71895
  5 O     0.00000   -0.01434   -1.38742
  6 O     0.00000   -0.00275    1.76768
  7 Pt   -0.00000    0.01360    0.45084
  8 Pt    0.00000   -0.03117    0.74868
  9 O    -1.58057    0.00060    0.05237
 10 O     1.58057    0.00060    0.05237
 11 O     0.00000   -0.00872   -0.56560
 12 O    -0.00000    0.04579    0.14516
 13 Pt   -0.00000    0.32215   -0.01695
 14 Pt    0.00000   -0.02022    0.00875
 15 O     0.00204    0.01085    0.00288
 16 O    -0.00204    0.01085    0.00288
 17 O    -0.00000    0.00712   -1.21250
 18 O    -0.00000    0.00680    0.03256
 19 Pt    0.00000   -0.02019    0.13552
 20 Pt    0.00000   -0.05053    0.23910
 21 O    -0.21991    0.41103    0.25231
 22 O     0.21991    0.41103    0.25231
 23 O     0.00000   -0.01658   -0.06508
 24 O     0.00000   -0.00088    1.15010
 25 Pt   -0.00000    0.01880   -0.37878
 26 Pt    0.00000   -0.00007   -0.43551
 27 O    -1.69147    0.01322   -0.71807
 28 O     1.69147    0.01322   -0.71807
 29 O    -0.00000    0.04402   -1.39349
 30 O     0.00000   -0.00447    1.83558
 31 Pt   -0.00000    0.02026    0.51117
 32 Pt    0.00000   -0.13641    0.59369
 33 O    -1.61408   -0.01947    0.06999
 34 O     1.61408   -0.01947    0.06999
 35 O     0.00000   -0.03251   -0.52566
 36 O    -0.00000    0.23382   -0.14286
 37 Pt    0.00000   -0.44919   -0.04063
 38 Pt    0.00000   -0.00365   -0.01489
 39 O     0.01244    0.01176    0.01612
 40 O    -0.01244    0.01176    0.01612
 41 O    -0.00000    0.02139    0.35045
 42 O    -0.00000    0.03987   -0.01857
 43 Pt    0.00000   -0.02537    0.06343
 44 Pt    0.00000   -0.10061   -0.22767
 45 O    -0.18868   -0.50737    0.21690
 46 O     0.18868   -0.50737    0.21690
 47 O     0.00000   -0.02568   -0.03829
 48 O    -0.00000    0.02245    1.17227
 49 Pt    0.00000   -0.02388   -0.37837
 50 Pt   -0.00000    0.02089   -0.43606
 51 O    -1.69090   -0.01382   -0.71813
 52 O     1.69090   -0.01382   -0.71813
 53 O     0.00000   -0.00702   -1.40701
 54 O     0.00000   -0.00201    1.77683
 55 Pt    0.00000   -0.01295    0.51683
 56 Pt   -0.00000    0.10916    0.65426
 57 O    -1.61459    0.01414    0.09011
 58 O     1.61459    0.01414    0.09011
 59 O     0.00000   -0.02140   -0.51603
 60 O     0.00000   -0.26058   -0.11764
 61 Pt   -0.00000    0.10508   -0.10274
 62 Pt   -0.00000    0.01675   -0.00596
 63 O    -0.01265   -0.00825    0.00356
 64 O     0.01265   -0.00825    0.00356
 65 O    -0.00000    0.00604   -0.00183
 66 O     0.00000   -0.02368   -0.00149
 67 Pt   -0.00000    0.02909   -0.05722
 68 Pt   -0.00000    0.14913    0.00714
 69 O     0.04063    0.07338   -0.07021
 70 O    -0.04063    0.07338   -0.07021
 71 O    -0.00000    0.01137   -0.03624
 72 N    -0.00000    0.00430    0.16576
 73 N     0.00000   -0.02757    0.08325

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.647626   23.861635    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.914599   24.689316    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:24:29  -2.38   +inf  -414.199336    3      1      
iter:   2  16:26:29  -3.27  -3.50  -414.216478    2      1      
iter:   3  16:28:31  -3.83  -2.95  -414.198807    2      1      
iter:   4  16:30:32  -4.05  -3.57  -414.201553    3      1      
iter:   5  16:32:34  -4.11  -3.53  -414.195067    3      1      
iter:   6  16:34:35  -4.66  -3.69  -414.196841    3      1      
iter:   7  16:36:36  -5.12  -4.20  -414.196696    2      1      
iter:   8  16:38:38  -5.21  -4.08  -414.198045    2      1      
iter:   9  16:40:39  -5.40  -3.47  -414.196791    2      1      
iter:  10  16:42:40  -5.82  -4.08  -414.196431    2      1      
iter:  11  16:44:42  -6.54  -4.58  -414.196806    2      1      
iter:  12  16:46:43  -6.65  -4.45  -414.196125    2      1      
iter:  13  16:48:45  -6.56  -4.45  -414.196467    2      1      
iter:  14  16:50:47  -6.70  -4.88  -414.196456    2      1      
iter:  15  16:52:46  -7.10  -4.64  -414.196445    2      1      
iter:  16  16:54:46  -7.22  -4.36  -414.196475    2      1      
iter:  17  16:56:45  -7.65  -5.18  -414.196448    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962447, -32.494928, 0.090240) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.969925
Potential:     -137.616628
External:        +0.000000
XC:            -305.285787
Entropy (-ST):   -1.561677
Local:          +10.516880
--------------------------
Free energy:   -414.977286
Extrapolated:  -414.196448

Fermi level: -6.45901

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51493    0.14139
  0   340     -6.51262    0.14020
  0   341     -6.50571    0.13659
  0   342     -6.48144    0.12352

  1   339     -6.43418    0.19477
  1   340     -6.38523    0.14377
  1   341     -6.35308    0.11441
  1   342     -6.33889    0.10278



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17433
  1 Pt    0.00000   -0.00296   -0.37597
  2 Pt    0.00000   -0.01889   -0.43359
  3 O    -1.68298    0.00032   -0.71882
  4 O     1.68298    0.00032   -0.71882
  5 O     0.00000   -0.01412   -1.38718
  6 O     0.00000   -0.00283    1.76674
  7 Pt   -0.00000    0.01358    0.45091
  8 Pt    0.00000   -0.03200    0.74946
  9 O    -1.58056    0.00053    0.05265
 10 O     1.58056    0.00053    0.05265
 11 O     0.00000   -0.00878   -0.56555
 12 O    -0.00000    0.04285    0.14447
 13 Pt   -0.00000    0.32206   -0.01839
 14 Pt    0.00000   -0.02011    0.00870
 15 O     0.00201    0.01078    0.00307
 16 O    -0.00201    0.01078    0.00307
 17 O    -0.00000    0.00729   -1.21333
 18 O    -0.00000    0.00654    0.03257
 19 Pt    0.00000   -0.02015    0.13529
 20 Pt    0.00000   -0.04912    0.23720
 21 O    -0.21997    0.41095    0.25140
 22 O     0.21997    0.41095    0.25140
 23 O     0.00000   -0.01717   -0.06638
 24 O     0.00000   -0.00090    1.15002
 25 Pt   -0.00000    0.01868   -0.37886
 26 Pt    0.00000   -0.00013   -0.43580
 27 O    -1.69169    0.01322   -0.71797
 28 O     1.69169    0.01322   -0.71797
 29 O    -0.00000    0.04399   -1.39289
 30 O     0.00000   -0.00443    1.83473
 31 Pt   -0.00000    0.02025    0.51122
 32 Pt    0.00000   -0.13622    0.59329
 33 O    -1.61400   -0.01941    0.07036
 34 O     1.61400   -0.01941    0.07036
 35 O     0.00000   -0.03245   -0.52556
 36 O    -0.00000    0.23397   -0.14108
 37 Pt    0.00000   -0.44361   -0.04107
 38 Pt    0.00000   -0.00377   -0.01466
 39 O     0.01255    0.01184    0.01649
 40 O    -0.01255    0.01184    0.01649
 41 O    -0.00000    0.02050    0.32819
 42 O    -0.00000    0.03965   -0.01833
 43 Pt    0.00000   -0.02450    0.06546
 44 Pt    0.00000   -0.09899   -0.22264
 45 O    -0.19157   -0.50122    0.22027
 46 O     0.19157   -0.50122    0.22027
 47 O     0.00000   -0.02464   -0.04034
 48 O    -0.00000    0.02246    1.17218
 49 Pt    0.00000   -0.02378   -0.37838
 50 Pt   -0.00000    0.02093   -0.43635
 51 O    -1.69108   -0.01386   -0.71801
 52 O     1.69108   -0.01386   -0.71801
 53 O     0.00000   -0.00720   -1.40661
 54 O     0.00000   -0.00197    1.77627
 55 Pt    0.00000   -0.01292    0.51691
 56 Pt   -0.00000    0.10974    0.65479
 57 O    -1.61461    0.01414    0.09058
 58 O     1.61461    0.01414    0.09058
 59 O     0.00000   -0.02141   -0.51588
 60 O     0.00000   -0.25800   -0.11797
 61 Pt   -0.00000    0.09975   -0.10279
 62 Pt   -0.00000    0.01675   -0.00613
 63 O    -0.01260   -0.00824    0.00383
 64 O     0.01260   -0.00824    0.00383
 65 O    -0.00000    0.00569   -0.00213
 66 O     0.00000   -0.02324   -0.00169
 67 Pt   -0.00000    0.02767   -0.05244
 68 Pt   -0.00000    0.14774    0.00831
 69 O     0.03612    0.06716   -0.06652
 70 O    -0.03612    0.06716   -0.06652
 71 O    -0.00000    0.01107   -0.03689
 72 N     0.00000   -0.00708    0.24640
 73 N    -0.00000    0.02748    0.03486

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.643789   23.892819    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.920721   24.728845    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:03:13  -2.37   +inf  -414.216054    3      1      
iter:   2  17:05:14  -3.22  -3.20  -414.325728    3      1      
iter:   3  17:07:15  -3.73  -2.54  -414.209522    3      1      
iter:   4  17:09:17  -4.20  -3.33  -414.211684    3      1      
iter:   5  17:11:18  -4.05  -3.54  -414.205212    3      1      
iter:   6  17:13:20  -4.37  -3.68  -414.206174    3      1      
iter:   7  17:15:21  -5.06  -4.18  -414.206597    2      1      
iter:   8  17:17:23  -5.15  -4.22  -414.205918    3      1      
iter:   9  17:19:25  -5.38  -4.33  -414.206689    2      1      
iter:  10  17:21:26  -5.72  -3.83  -414.206385    2      1      
iter:  11  17:23:27  -6.46  -4.13  -414.205980    2      1      
iter:  12  17:25:28  -6.79  -4.56  -414.206215    2      1      
iter:  13  17:27:29  -6.61  -4.52  -414.206030    2      1      
iter:  14  17:29:31  -6.46  -4.79  -414.206118    2      1      
iter:  15  17:31:28  -6.79  -4.91  -414.206028    2      1      
iter:  16  17:33:21  -7.32  -4.61  -414.206047    2      1      
iter:  17  17:35:14  -7.57  -4.60  -414.206154    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962507, -32.494719, 0.083565) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.932144
Potential:     -137.610862
External:        +0.000000
XC:            -305.259513
Entropy (-ST):   -1.561705
Local:          +10.512931
--------------------------
Free energy:   -414.987006
Extrapolated:  -414.206154

Fermi level: -6.46464

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52073    0.14148
  0   340     -6.51837    0.14027
  0   341     -6.51169    0.13678
  0   342     -6.48744    0.12373

  1   339     -6.43965    0.19461
  1   340     -6.39095    0.14386
  1   341     -6.35874    0.11445
  1   342     -6.34425    0.10257



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17426
  1 Pt    0.00000   -0.00294   -0.37655
  2 Pt    0.00000   -0.01892   -0.43440
  3 O    -1.68289    0.00030   -0.71904
  4 O     1.68289    0.00030   -0.71904
  5 O     0.00000   -0.01392   -1.38758
  6 O     0.00000   -0.00280    1.76697
  7 Pt   -0.00000    0.01360    0.45103
  8 Pt    0.00000   -0.03268    0.74978
  9 O    -1.58029    0.00055    0.05232
 10 O     1.58029    0.00055    0.05232
 11 O     0.00000   -0.00875   -0.56534
 12 O    -0.00000    0.04020    0.14354
 13 Pt   -0.00000    0.32222   -0.01846
 14 Pt    0.00000   -0.02019    0.00956
 15 O     0.00180    0.01091    0.00325
 16 O    -0.00180    0.01091    0.00325
 17 O    -0.00000    0.00705   -1.20945
 18 O    -0.00000    0.00617    0.03214
 19 Pt    0.00000   -0.02003    0.13741
 20 Pt    0.00000   -0.04640    0.24282
 21 O    -0.22034    0.41136    0.25127
 22 O     0.22034    0.41136    0.25127
 23 O     0.00000   -0.01666   -0.06646
 24 O     0.00000   -0.00088    1.14997
 25 Pt   -0.00000    0.01856   -0.37942
 26 Pt    0.00000   -0.00011   -0.43652
 27 O    -1.69155    0.01321   -0.71819
 28 O     1.69155    0.01321   -0.71819
 29 O    -0.00000    0.04400   -1.39292
 30 O     0.00000   -0.00438    1.83493
 31 Pt   -0.00000    0.02026    0.51134
 32 Pt    0.00000   -0.13613    0.59246
 33 O    -1.61371   -0.01938    0.07019
 34 O     1.61371   -0.01938    0.07019
 35 O     0.00000   -0.03247   -0.52543
 36 O    -0.00000    0.23392   -0.14004
 37 Pt    0.00000   -0.43835   -0.04070
 38 Pt    0.00000   -0.00384   -0.01366
 39 O     0.01243    0.01175    0.01656
 40 O    -0.01243    0.01175    0.01656
 41 O    -0.00000    0.01979    0.31126
 42 O    -0.00000    0.03961   -0.01843
 43 Pt    0.00000   -0.02362    0.07305
 44 Pt    0.00000   -0.09954   -0.21123
 45 O    -0.19595   -0.49503    0.22757
 46 O     0.19595   -0.49503    0.22757
 47 O     0.00000   -0.02522   -0.04158
 48 O    -0.00000    0.02246    1.17211
 49 Pt    0.00000   -0.02370   -0.37893
 50 Pt   -0.00000    0.02094   -0.43720
 51 O    -1.69097   -0.01384   -0.71823
 52 O     1.69097   -0.01384   -0.71823
 53 O     0.00000   -0.00740   -1.40690
 54 O     0.00000   -0.00204    1.77636
 55 Pt    0.00000   -0.01292    0.51693
 56 Pt   -0.00000    0.11029    0.65497
 57 O    -1.61433    0.01410    0.09032
 58 O     1.61433    0.01410    0.09032
 59 O     0.00000   -0.02141   -0.51584
 60 O     0.00000   -0.25551   -0.11863
 61 Pt   -0.00000    0.09454   -0.10188
 62 Pt   -0.00000    0.01691   -0.00512
 63 O    -0.01273   -0.00828    0.00391
 64 O     0.01273   -0.00828    0.00391
 65 O    -0.00000    0.00558    0.00149
 66 O     0.00000   -0.02286   -0.00219
 67 Pt   -0.00000    0.02622   -0.04571
 68 Pt   -0.00000    0.14699    0.01129
 69 O     0.03146    0.06070   -0.06213
 70 O    -0.03146    0.06070   -0.06213
 71 O    -0.00000    0.01095   -0.03754
 72 N    -0.00000    0.00152    0.15660
 73 N    -0.00000    0.08466    0.05840

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.639670   23.923212    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.927022   24.768345    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:39:39  -2.36   +inf  -414.216371    3      1      
iter:   2  17:41:41  -3.20  -3.14  -414.392218    3      1      
iter:   3  17:43:43  -3.69  -2.48  -414.219472    3      1      
iter:   4  17:45:45  -4.15  -3.49  -414.213541    3      1      
iter:   5  17:47:47  -3.99  -3.52  -414.213484    3      1      
iter:   6  17:49:48  -4.37  -3.49  -414.213542    2      1      
iter:   7  17:51:49  -4.99  -3.98  -414.212665    3      1      
iter:   8  17:53:51  -5.17  -3.93  -414.212884    3      1      
iter:   9  17:55:53  -5.18  -4.40  -414.212533    3      1      
iter:  10  17:57:55  -5.90  -4.32  -414.213461    3      1      
iter:  11  17:59:57  -6.20  -4.20  -414.212821    2      1      
iter:  12  18:01:58  -6.67  -4.62  -414.212686    2      1      
iter:  13  18:04:00  -6.60  -4.17  -414.213031    2      1      
iter:  14  18:06:02  -6.94  -4.41  -414.212900    2      1      
iter:  15  18:08:03  -6.70  -4.81  -414.212955    2      1      
iter:  16  18:10:01  -7.05  -4.98  -414.212860    2      1      
iter:  17  18:11:54  -7.33  -5.02  -414.212981    2      1      
iter:  18  18:13:46  -7.59  -4.93  -414.212954    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962567, -32.494487, 0.078122) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.832287
Potential:     -137.556439
External:        +0.000000
XC:            -305.222183
Entropy (-ST):   -1.562101
Local:          +10.514431
--------------------------
Free energy:   -414.994005
Extrapolated:  -414.212954

Fermi level: -6.46887

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52509    0.14155
  0   340     -6.52263    0.14028
  0   341     -6.51645    0.13706
  0   342     -6.49213    0.12398

  1   339     -6.44393    0.19466
  1   340     -6.39515    0.14384
  1   341     -6.36310    0.11456
  1   342     -6.34888    0.10289



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17447
  1 Pt    0.00000   -0.00297   -0.37574
  2 Pt    0.00000   -0.01895   -0.43319
  3 O    -1.68237    0.00021   -0.71881
  4 O     1.68237    0.00021   -0.71881
  5 O     0.00000   -0.01369   -1.38746
  6 O     0.00000   -0.00268    1.76940
  7 Pt   -0.00000    0.01368    0.45151
  8 Pt    0.00000   -0.03321    0.75042
  9 O    -1.58045    0.00075    0.05230
 10 O     1.58045    0.00075    0.05230
 11 O     0.00000   -0.00873   -0.56582
 12 O    -0.00000    0.03812    0.14266
 13 Pt   -0.00000    0.32212   -0.02028
 14 Pt    0.00000   -0.02046    0.00884
 15 O     0.00143    0.01069    0.00313
 16 O    -0.00143    0.01069    0.00313
 17 O    -0.00000    0.00674   -1.21018
 18 O    -0.00000    0.00613    0.03233
 19 Pt    0.00000   -0.01983    0.13703
 20 Pt    0.00000   -0.04364    0.24429
 21 O    -0.21975    0.41157    0.25086
 22 O     0.21975    0.41157    0.25086
 23 O     0.00000   -0.01654   -0.06743
 24 O     0.00000   -0.00074    1.15021
 25 Pt   -0.00000    0.01850   -0.37852
 26 Pt    0.00000    0.00003   -0.43547
 27 O    -1.69100    0.01330   -0.71796
 28 O     1.69100    0.01330   -0.71796
 29 O    -0.00000    0.04386   -1.39286
 30 O     0.00000   -0.00469    1.83667
 31 Pt   -0.00000    0.02014    0.51172
 32 Pt    0.00000   -0.13643    0.59224
 33 O    -1.61385   -0.01958    0.07024
 34 O     1.61385   -0.01958    0.07024
 35 O     0.00000   -0.03263   -0.52566
 36 O    -0.00000    0.23420   -0.13916
 37 Pt    0.00000   -0.43318   -0.04166
 38 Pt    0.00000   -0.00323   -0.01409
 39 O     0.01236    0.01192    0.01630
 40 O    -0.01236    0.01192    0.01630
 41 O    -0.00000    0.01965    0.29392
 42 O    -0.00000    0.03986   -0.01893
 43 Pt    0.00000   -0.02342    0.07722
 44 Pt    0.00000   -0.09989   -0.19981
 45 O    -0.19960   -0.48929    0.23295
 46 O     0.19960   -0.48929    0.23295
 47 O     0.00000   -0.02591   -0.04360
 48 O    -0.00000    0.02235    1.17232
 49 Pt    0.00000   -0.02362   -0.37833
 50 Pt   -0.00000    0.02082   -0.43629
 51 O    -1.69052   -0.01382   -0.71803
 52 O     1.69052   -0.01382   -0.71803
 53 O     0.00000   -0.00747   -1.40707
 54 O     0.00000   -0.00185    1.77808
 55 Pt    0.00000   -0.01289    0.51748
 56 Pt   -0.00000    0.11107    0.65575
 57 O    -1.61427    0.01408    0.09038
 58 O     1.61427    0.01408    0.09038
 59 O     0.00000   -0.02127   -0.51597
 60 O     0.00000   -0.25386   -0.11903
 61 Pt   -0.00000    0.08965   -0.10224
 62 Pt   -0.00000    0.01657   -0.00552
 63 O    -0.01311   -0.00821    0.00376
 64 O     0.01311   -0.00821    0.00376
 65 O    -0.00000    0.00505   -0.00053
 66 O     0.00000   -0.02306   -0.00257
 67 Pt   -0.00000    0.02541   -0.04301
 68 Pt   -0.00000    0.14602    0.01014
 69 O     0.02774    0.05496   -0.05984
 70 O    -0.02774    0.05496   -0.05984
 71 O    -0.00000    0.01149   -0.03890
 72 N     0.00000   -0.01712    0.16830
 73 N    -0.00000    0.06944    0.00199

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O      O           
                  Pt Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.635435   23.954275    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.933118   24.807878    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:18:11  -2.33   +inf  -414.232815    3      1      
iter:   2  18:20:12  -3.13  -3.00  -414.600896    3      1      
iter:   3  18:22:13  -3.62  -2.31  -414.222824    2      1      
iter:   4  18:24:13  -4.03  -3.58  -414.224304    3      1      
iter:   5  18:26:15  -4.02  -3.51  -414.217469    3      1      
iter:   6  18:28:17  -4.34  -3.55  -414.220620    3      1      
iter:   7  18:30:19  -5.00  -4.01  -414.219698    3      1      
iter:   8  18:32:22  -5.26  -4.10  -414.219765    3      1      
iter:   9  18:34:24  -5.28  -4.14  -414.220796    2      1      
iter:  10  18:36:26  -5.55  -3.59  -414.219571    3      1      
iter:  11  18:38:27  -6.09  -4.27  -414.219946    2      1      
iter:  12  18:40:29  -6.70  -4.60  -414.219521    2      1      
iter:  13  18:42:30  -6.81  -4.53  -414.220020    2      1      
iter:  14  18:44:31  -6.56  -4.62  -414.219827    2      1      
iter:  15  18:46:32  -6.94  -4.87  -414.219821    2      1      
iter:  16  18:48:25  -7.35  -4.54  -414.219822    2      1      
iter:  17  18:50:18  -7.52  -4.80  -414.219758    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962619, -32.494212, 0.072727) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.768024
Potential:     -137.528433
External:        +0.000000
XC:            -305.193578
Entropy (-ST):   -1.562530
Local:          +10.515493
--------------------------
Free energy:   -415.001023
Extrapolated:  -414.219758

Fermi level: -6.47358

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52976    0.14153
  0   340     -6.52716    0.14019
  0   341     -6.52188    0.13744
  0   342     -6.49738    0.12427

  1   339     -6.44859    0.19460
  1   340     -6.39970    0.14368
  1   341     -6.36790    0.11463
  1   342     -6.35422    0.10339



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17429
  1 Pt    0.00000   -0.00297   -0.37575
  2 Pt    0.00000   -0.01892   -0.43375
  3 O    -1.68285    0.00036   -0.71875
  4 O     1.68285    0.00036   -0.71875
  5 O     0.00000   -0.01355   -1.38743
  6 O     0.00000   -0.00294    1.76676
  7 Pt   -0.00000    0.01359    0.45136
  8 Pt    0.00000   -0.03404    0.75108
  9 O    -1.58076    0.00042    0.05245
 10 O     1.58076    0.00042    0.05245
 11 O     0.00000   -0.00880   -0.56554
 12 O    -0.00000    0.03588    0.14250
 13 Pt   -0.00000    0.32251   -0.02188
 14 Pt    0.00000   -0.02000    0.00846
 15 O     0.00132    0.01116    0.00314
 16 O    -0.00132    0.01116    0.00314
 17 O    -0.00000    0.00688   -1.21252
 18 O    -0.00000    0.00546    0.03192
 19 Pt    0.00000   -0.01978    0.13645
 20 Pt    0.00000   -0.04236    0.24423
 21 O    -0.21971    0.41120    0.25056
 22 O     0.21971    0.41120    0.25056
 23 O     0.00000   -0.01651   -0.06789
 24 O     0.00000   -0.00090    1.15004
 25 Pt   -0.00000    0.01841   -0.37866
 26 Pt    0.00000   -0.00021   -0.43566
 27 O    -1.69153    0.01319   -0.71793
 28 O     1.69153    0.01319   -0.71793
 29 O    -0.00000    0.04394   -1.39229
 30 O     0.00000   -0.00424    1.83497
 31 Pt   -0.00000    0.02023    0.51173
 32 Pt    0.00000   -0.13574    0.59188
 33 O    -1.61408   -0.01924    0.07059
 34 O     1.61408   -0.01924    0.07059
 35 O     0.00000   -0.03242   -0.52565
 36 O    -0.00000    0.23406   -0.13800
 37 Pt    0.00000   -0.42864   -0.04300
 38 Pt    0.00000   -0.00414   -0.01463
 39 O     0.01204    0.01159    0.01649
 40 O    -0.01204    0.01159    0.01649
 41 O    -0.00000    0.01826    0.27093
 42 O    -0.00000    0.03956   -0.01776
 43 Pt    0.00000   -0.02175    0.07978
 44 Pt    0.00000   -0.09797   -0.19109
 45 O    -0.20100   -0.48455    0.23593
 46 O     0.20100   -0.48455    0.23593
 47 O     0.00000   -0.02483   -0.04483
 48 O    -0.00000    0.02249    1.17216
 49 Pt    0.00000   -0.02353   -0.37808
 50 Pt   -0.00000    0.02105   -0.43639
 51 O    -1.69084   -0.01388   -0.71798
 52 O     1.69084   -0.01388   -0.71798
 53 O     0.00000   -0.00769   -1.40652
 54 O     0.00000   -0.00207    1.77679
 55 Pt    0.00000   -0.01288    0.51722
 56 Pt   -0.00000    0.11117    0.65584
 57 O    -1.61489    0.01408    0.09068
 58 O     1.61489    0.01408    0.09068
 59 O     0.00000   -0.02141   -0.51617
 60 O     0.00000   -0.25165   -0.11955
 61 Pt   -0.00000    0.08489   -0.10340
 62 Pt   -0.00000    0.01704   -0.00638
 63 O    -0.01312   -0.00836    0.00380
 64 O     0.01312   -0.00836    0.00380
 65 O    -0.00000    0.00524   -0.00145
 66 O     0.00000   -0.02209   -0.00241
 67 Pt   -0.00000    0.02328   -0.03798
 68 Pt   -0.00000    0.14479    0.01211
 69 O     0.02469    0.05059   -0.05657
 70 O    -0.02469    0.05059   -0.05657
 71 O    -0.00000    0.01047   -0.03879
 72 N     0.00000   -0.03625    0.19263
 73 N    -0.00000    0.02027    0.00117

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                     Pt            
          O Pt   O     O           
             O     Pt              
        O     O      O             
         PtO Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O      O           
                  Pt Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.630555   23.985923    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.938537   24.847509    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:54:42  -2.30   +inf  -414.239291    3      1      
iter:   2  18:56:42  -3.16  -3.20  -414.321139    3      1      
iter:   3  18:58:43  -3.67  -2.58  -414.233236    3      1      
iter:   4  19:00:45  -4.13  -3.17  -414.232753    3      1      
iter:   5  19:02:47  -3.93  -3.56  -414.226383    3      1      
iter:   6  19:04:49  -4.32  -3.61  -414.227061    2      1      
iter:   7  19:06:50  -5.00  -4.18  -414.227483    3      1      
iter:   8  19:08:52  -4.99  -4.21  -414.226834    3      1      
iter:   9  19:10:54  -5.29  -4.29  -414.227381    2      1      
iter:  10  19:12:55  -5.75  -4.16  -414.227189    2      1      
iter:  11  19:14:56  -6.49  -4.01  -414.226894    2      1      
iter:  12  19:16:58  -6.62  -4.61  -414.227151    2      1      
iter:  13  19:18:59  -6.51  -4.45  -414.226950    2      1      
iter:  14  19:21:00  -6.46  -4.71  -414.227044    2      1      
iter:  15  19:23:01  -6.81  -4.96  -414.226987    2      1      
iter:  16  19:25:00  -7.30  -5.03  -414.227039    2      1      
iter:  17  19:26:59  -7.49  -4.67  -414.227157    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962682, -32.494180, 0.066024) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.747040
Potential:     -137.534260
External:        +0.000000
XC:            -305.174015
Entropy (-ST):   -1.562350
Local:          +10.515252
--------------------------
Free energy:   -415.008332
Extrapolated:  -414.227157

Fermi level: -6.47892

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53551    0.14174
  0   340     -6.53287    0.14038
  0   341     -6.52733    0.13749
  0   342     -6.50290    0.12437

  1   339     -6.45381    0.19447
  1   340     -6.40532    0.14395
  1   341     -6.37328    0.11466
  1   342     -6.36006    0.10378



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17428
  1 Pt    0.00000   -0.00291   -0.37627
  2 Pt    0.00000   -0.01894   -0.43412
  3 O    -1.68186    0.00031   -0.71905
  4 O     1.68186    0.00031   -0.71905
  5 O     0.00000   -0.01337   -1.38802
  6 O     0.00000   -0.00286    1.77070
  7 Pt   -0.00000    0.01359    0.45212
  8 Pt    0.00000   -0.03458    0.75154
  9 O    -1.58014    0.00058    0.05211
 10 O     1.58014    0.00058    0.05211
 11 O     0.00000   -0.00880   -0.56559
 12 O    -0.00000    0.03388    0.14160
 13 Pt   -0.00000    0.32242   -0.02064
 14 Pt    0.00000   -0.02016    0.01046
 15 O     0.00117    0.01091    0.00341
 16 O    -0.00117    0.01091    0.00341
 17 O    -0.00000    0.00665   -1.20506
 18 O    -0.00000    0.00553    0.03167
 19 Pt    0.00000   -0.01948    0.13892
 20 Pt    0.00000   -0.03972    0.24860
 21 O    -0.22030    0.41202    0.25044
 22 O     0.22030    0.41202    0.25044
 23 O     0.00000   -0.01630   -0.06877
 24 O     0.00000   -0.00081    1.15003
 25 Pt   -0.00000    0.01830   -0.37916
 26 Pt    0.00000   -0.00010   -0.43615
 27 O    -1.69050    0.01323   -0.71824
 28 O     1.69050    0.01323   -0.71824
 29 O    -0.00000    0.04389   -1.39291
 30 O     0.00000   -0.00445    1.83849
 31 Pt   -0.00000    0.02021    0.51246
 32 Pt    0.00000   -0.13599    0.59171
 33 O    -1.61342   -0.01941    0.07029
 34 O     1.61342   -0.01941    0.07029
 35 O     0.00000   -0.03252   -0.52539
 36 O    -0.00000    0.23424   -0.13725
 37 Pt    0.00000   -0.42388   -0.04106
 38 Pt    0.00000   -0.00359   -0.01242
 39 O     0.01206    0.01185    0.01662
 40 O    -0.01206    0.01185    0.01662
 41 O    -0.00000    0.01801    0.26155
 42 O    -0.00000    0.03958   -0.01872
 43 Pt    0.00000   -0.02161    0.08652
 44 Pt    0.00000   -0.09896   -0.17897
 45 O    -0.20529   -0.47987    0.24138
 46 O     0.20529   -0.47987    0.24138
 47 O     0.00000   -0.02557   -0.04671
 48 O    -0.00000    0.02239    1.17212
 49 Pt    0.00000   -0.02348   -0.37879
 50 Pt   -0.00000    0.02095   -0.43701
 51 O    -1.68991   -0.01386   -0.71829
 52 O     1.68991   -0.01386   -0.71829
 53 O     0.00000   -0.00780   -1.40726
 54 O     0.00000   -0.00190    1.78026
 55 Pt    0.00000   -0.01285    0.51814
 56 Pt   -0.00000    0.11191    0.65651
 57 O    -1.61400    0.01409    0.09041
 58 O     1.61400    0.01409    0.09041
 59 O     0.00000   -0.02131   -0.51592
 60 O     0.00000   -0.24995   -0.11998
 61 Pt   -0.00000    0.08045   -0.10109
 62 Pt   -0.00000    0.01666   -0.00424
 63 O    -0.01338   -0.00834    0.00391
 64 O     0.01338   -0.00834    0.00391
 65 O    -0.00000    0.00473    0.00491
 66 O     0.00000   -0.02219   -0.00322
 67 Pt   -0.00000    0.02244   -0.03232
 68 Pt   -0.00000    0.14444    0.01423
 69 O     0.02030    0.04524   -0.05355
 70 O    -0.02030    0.04524   -0.05355
 71 O    -0.00000    0.01091   -0.04019
 72 N    -0.00000    0.01010    0.20738
 73 N    -0.00000    0.03809    0.03482

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                     Pt            
          O Pt   O     O           
             O     Pt              
        O     O      O             
         PtO Pt                    
               OPt OPt   O         
       Pt  PO     O  O             
             O  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.625610   24.018440    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.943357   24.887218    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:31:31  -2.31   +inf  -414.306964    3      1      
iter:   2  19:33:33  -2.82  -2.63  -416.458149    3      1      
iter:   3  19:35:35  -3.24  -1.95  -414.257193    3      1      
iter:   4  19:37:37  -3.72  -2.98  -414.239619    3      1      
iter:   5  19:39:38  -3.96  -3.64  -414.231989    3      1      
iter:   6  19:41:41  -4.07  -3.38  -414.234562    3      1      
iter:   7  19:43:42  -4.88  -3.64  -414.234459    3      1      
iter:   8  19:45:44  -5.14  -3.95  -414.234607    3      1      
iter:   9  19:47:46  -5.06  -4.18  -414.234360    3      1      
iter:  10  19:49:48  -5.51  -4.03  -414.235511    2      1      
iter:  11  19:51:50  -5.80  -3.79  -414.234365    2      1      
iter:  12  19:53:52  -6.34  -4.51  -414.234667    2      1      
iter:  13  19:55:55  -6.58  -4.53  -414.234329    2      1      
iter:  14  19:57:57  -6.71  -4.64  -414.234504    2      1      
iter:  15  19:59:59  -6.52  -4.71  -414.234486    2      1      
iter:  16  20:02:00  -6.93  -4.93  -414.234353    2      1      
iter:  17  20:03:53  -7.22  -4.24  -414.234599    2      1      
iter:  18  20:05:47  -7.22  -4.71  -414.234419    2      1      
iter:  19  20:07:40  -7.15  -4.71  -414.234574    2      1      
iter:  20  20:09:28  -7.46  -4.89  -414.234483    2      1      

Converged after 20 iterations.

Dipole moment: (-55.962727, -32.493549, 0.060897) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.757423
Potential:     -137.560661
External:        +0.000000
XC:            -305.161176
Entropy (-ST):   -1.562930
Local:          +10.511396
--------------------------
Free energy:   -415.015948
Extrapolated:  -414.234483

Fermi level: -6.48279

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53945    0.14178
  0   340     -6.53664    0.14033
  0   341     -6.53190    0.13786
  0   342     -6.50726    0.12464

  1   339     -6.45779    0.19460
  1   340     -6.40905    0.14381
  1   341     -6.37730    0.11479
  1   342     -6.36454    0.10427



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17475
  1 Pt    0.00000   -0.00290   -0.37509
  2 Pt    0.00000   -0.01895   -0.43227
  3 O    -1.68206    0.00026   -0.71869
  4 O     1.68206    0.00026   -0.71869
  5 O     0.00000   -0.01318   -1.38790
  6 O     0.00000   -0.00280    1.77218
  7 Pt   -0.00000    0.01363    0.45250
  8 Pt    0.00000   -0.03507    0.75219
  9 O    -1.58064    0.00063    0.05211
 10 O     1.58064    0.00063    0.05211
 11 O     0.00000   -0.00876   -0.56660
 12 O    -0.00000    0.03223    0.14061
 13 Pt   -0.00000    0.32263   -0.02282
 14 Pt    0.00000   -0.02026    0.00921
 15 O     0.00083    0.01101    0.00327
 16 O    -0.00083    0.01101    0.00327
 17 O    -0.00000    0.00629   -1.20796
 18 O    -0.00000    0.00513    0.03139
 19 Pt    0.00000   -0.01939    0.13633
 20 Pt    0.00000   -0.03648    0.25023
 21 O    -0.21962    0.41197    0.24955
 22 O     0.21962    0.41197    0.24955
 23 O     0.00000   -0.01576   -0.06974
 24 O     0.00000   -0.00078    1.15049
 25 Pt   -0.00000    0.01821   -0.37794
 26 Pt    0.00000   -0.00006   -0.43427
 27 O    -1.69069    0.01326   -0.71789
 28 O     1.69069    0.01326   -0.71789
 29 O    -0.00000    0.04386   -1.39266
 30 O     0.00000   -0.00445    1.83956
 31 Pt   -0.00000    0.02015    0.51279
 32 Pt    0.00000   -0.13596    0.59165
 33 O    -1.61385   -0.01945    0.07039
 34 O     1.61385   -0.01945    0.07039
 35 O     0.00000   -0.03253   -0.52638
 36 O    -0.00000    0.23435   -0.13726
 37 Pt    0.00000   -0.41972   -0.04320
 38 Pt    0.00000   -0.00358   -0.01375
 39 O     0.01179    0.01170    0.01629
 40 O    -0.01179    0.01170    0.01629
 41 O    -0.00000    0.01745    0.24182
 42 O    -0.00000    0.03975   -0.01866
 43 Pt    0.00000   -0.02069    0.08931
 44 Pt    0.00000   -0.10009   -0.16807
 45 O    -0.20801   -0.47498    0.24662
 46 O     0.20801   -0.47498    0.24662
 47 O     0.00000   -0.02664   -0.04982
 48 O    -0.00000    0.02239    1.17257
 49 Pt    0.00000   -0.02340   -0.37760
 50 Pt   -0.00000    0.02091   -0.43522
 51 O    -1.69015   -0.01385   -0.71793
 52 O     1.69015   -0.01385   -0.71793
 53 O     0.00000   -0.00795   -1.40713
 54 O     0.00000   -0.00197    1.78137
 55 Pt    0.00000   -0.01283    0.51837
 56 Pt   -0.00000    0.11234    0.65711
 57 O    -1.61443    0.01408    0.09049
 58 O     1.61443    0.01408    0.09049
 59 O     0.00000   -0.02134   -0.51688
 60 O     0.00000   -0.24852   -0.12088
 61 Pt   -0.00000    0.07625   -0.10269
 62 Pt   -0.00000    0.01675   -0.00549
 63 O    -0.01368   -0.00829    0.00367
 64 O     0.01368   -0.00829    0.00367
 65 O    -0.00000    0.00468    0.00112
 66 O     0.00000   -0.02194   -0.00352
 67 Pt   -0.00000    0.02114   -0.03241
 68 Pt   -0.00000    0.14355    0.00959
 69 O     0.01755    0.04071   -0.05264
 70 O    -0.01755    0.04071   -0.05264
 71 O    -0.00000    0.01129   -0.04265
 72 N     0.00000   -0.04970    0.05905
 73 N     0.00000   -0.05363    0.05218

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                     Pt            
          O Pt   O     O           
             O                     
        O     O    PtO             
         PtO Pt                    
               OPt OPt   O         
       Pt  PO     O  O             
             O  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.619791   24.050345    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.947631   24.926989    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:13:53  -2.34   +inf  -414.293558    3      1      
iter:   2  20:15:55  -2.95  -2.73  -415.653030    3      1      
iter:   3  20:17:58  -3.39  -2.04  -414.250218    3      1      
iter:   4  20:19:59  -3.89  -3.13  -414.247626    3      1      
iter:   5  20:22:01  -4.12  -3.62  -414.240489    3      1      
iter:   6  20:24:03  -4.12  -3.43  -414.241607    3      1      
iter:   7  20:26:05  -4.94  -3.75  -414.241720    3      1      
iter:   8  20:28:06  -5.20  -3.92  -414.242000    3      1      
iter:   9  20:30:08  -5.50  -3.95  -414.243104    2      1      
iter:  10  20:32:10  -5.23  -3.56  -414.241293    3      1      
iter:  11  20:34:12  -5.58  -4.14  -414.242085    2      1      
iter:  12  20:36:14  -6.19  -4.39  -414.241679    2      1      
iter:  13  20:38:16  -6.23  -4.64  -414.241869    3      1      
iter:  14  20:40:18  -6.34  -4.60  -414.241731    2      1      
iter:  15  20:42:20  -6.82  -4.24  -414.241725    2      1      
iter:  16  20:44:20  -7.12  -4.58  -414.241633    2      1      
iter:  17  20:46:20  -7.56  -5.01  -414.241656    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962797, -32.493899, 0.055738) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.636019
Potential:     -137.476205
External:        +0.000000
XC:            -305.130306
Entropy (-ST):   -1.563246
Local:          +10.510459
--------------------------
Free energy:   -415.023279
Extrapolated:  -414.241656

Fermi level: -6.48778

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54444    0.14177
  0   340     -6.54138    0.14019
  0   341     -6.53762    0.13824
  0   342     -6.51268    0.12487

  1   339     -6.46263    0.19442
  1   340     -6.41386    0.14364
  1   341     -6.38239    0.11487
  1   342     -6.37003    0.10467



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17416
  1 Pt    0.00000   -0.00291   -0.37550
  2 Pt    0.00000   -0.01897   -0.43385
  3 O    -1.68265    0.00029   -0.71880
  4 O     1.68265    0.00029   -0.71880
  5 O     0.00000   -0.01303   -1.38718
  6 O     0.00000   -0.00283    1.76878
  7 Pt   -0.00000    0.01364    0.45252
  8 Pt    0.00000   -0.03558    0.75265
  9 O    -1.58081    0.00056    0.05281
 10 O     1.58081    0.00056    0.05281
 11 O     0.00000   -0.00876   -0.56545
 12 O    -0.00000    0.03014    0.14098
 13 Pt   -0.00000    0.32250   -0.02459
 14 Pt    0.00000   -0.02025    0.00865
 15 O     0.00064    0.01107    0.00346
 16 O    -0.00064    0.01107    0.00346
 17 O    -0.00000    0.00649   -1.21166
 18 O    -0.00000    0.00501    0.03168
 19 Pt    0.00000   -0.01958    0.13749
 20 Pt    0.00000   -0.03664    0.24778
 21 O    -0.21936    0.41128    0.25000
 22 O     0.21936    0.41128    0.25000
 23 O     0.00000   -0.01661   -0.07003
 24 O     0.00000   -0.00080    1.14992
 25 Pt   -0.00000    0.01817   -0.37833
 26 Pt    0.00000   -0.00009   -0.43574
 27 O    -1.69125    0.01325   -0.71800
 28 O     1.69125    0.01325   -0.71800
 29 O    -0.00000    0.04387   -1.39159
 30 O     0.00000   -0.00438    1.83641
 31 Pt   -0.00000    0.02012    0.51276
 32 Pt    0.00000   -0.13581    0.59097
 33 O    -1.61406   -0.01930    0.07114
 34 O     1.61406   -0.01930    0.07114
 35 O     0.00000   -0.03252   -0.52556
 36 O    -0.00000    0.23427   -0.13543
 37 Pt    0.00000   -0.41490   -0.04356
 38 Pt    0.00000   -0.00381   -0.01381
 39 O     0.01175    0.01161    0.01666
 40 O    -0.01175    0.01161    0.01666
 41 O    -0.00000    0.01641    0.22378
 42 O    -0.00000    0.03941   -0.01806
 43 Pt    0.00000   -0.01962    0.09095
 44 Pt    0.00000   -0.09682   -0.15771
 45 O    -0.20854   -0.47075    0.24648
 46 O     0.20854   -0.47075    0.24648
 47 O     0.00000   -0.02428   -0.04900
 48 O    -0.00000    0.02243    1.17199
 49 Pt    0.00000   -0.02336   -0.37793
 50 Pt   -0.00000    0.02098   -0.43675
 51 O    -1.69067   -0.01387   -0.71804
 52 O     1.69067   -0.01387   -0.71804
 53 O     0.00000   -0.00811   -1.40627
 54 O     0.00000   -0.00203    1.77821
 55 Pt    0.00000   -0.01282    0.51822
 56 Pt   -0.00000    0.11268    0.65725
 57 O    -1.61474    0.01400    0.09124
 58 O     1.61474    0.01400    0.09124
 59 O     0.00000   -0.02134   -0.51600
 60 O     0.00000   -0.24643   -0.12044
 61 Pt   -0.00000    0.07175   -0.10276
 62 Pt   -0.00000    0.01700   -0.00589
 63 O    -0.01374   -0.00826    0.00398
 64 O     0.01374   -0.00826    0.00398
 65 O    -0.00000    0.00453   -0.00207
 66 O     0.00000   -0.02150   -0.00322
 67 Pt   -0.00000    0.01986   -0.02508
 68 Pt   -0.00000    0.14276    0.01551
 69 O     0.01532    0.03699   -0.04835
 70 O    -0.01532    0.03699   -0.04835
 71 O    -0.00000    0.01004   -0.04076
 72 N     0.00000   -0.02615    0.11899
 73 N     0.00000   -0.00522    0.09520

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                     Pt            
          O Pt   O     O           
             O                     
        O     O    PtO             
         PtO Pt                    
               OPt O     O         
       Pt   O     O Pt             
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.613944   24.082751    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.951590   24.966792    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:50:47  -2.35   +inf  -414.257179    3      1      
iter:   2  20:52:49  -3.24  -3.34  -414.247510    3      1      
iter:   3  20:54:50  -3.80  -3.25  -414.256182    3      1      
iter:   4  20:56:52  -4.19  -3.25  -414.261985    2      1      
iter:   5  20:58:54  -3.96  -3.05  -414.247667    3      1      
iter:   6  21:00:56  -4.52  -3.85  -414.247800    2      1      
iter:   7  21:02:58  -5.04  -4.14  -414.247856    2      1      
iter:   8  21:05:00  -4.99  -4.13  -414.248130    3      1      
iter:   9  21:07:01  -5.60  -4.07  -414.247647    2      1      
iter:  10  21:09:02  -5.77  -4.04  -414.247891    2      1      
iter:  11  21:11:04  -6.23  -4.59  -414.247605    2      1      
iter:  12  21:13:06  -6.67  -4.43  -414.248165    2      1      
iter:  13  21:15:07  -6.62  -4.40  -414.247677    2      1      
iter:  14  21:17:09  -6.52  -4.71  -414.247674    2      1      
iter:  15  21:19:10  -7.00  -4.97  -414.247913    2      1      
iter:  16  21:21:03  -7.24  -4.39  -414.247694    2      1      
iter:  17  21:22:56  -7.68  -5.08  -414.247749    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962834, -32.493973, 0.049907) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.601916
Potential:     -137.471672
External:        +0.000000
XC:            -305.107476
Entropy (-ST):   -1.563318
Local:          +10.511142
--------------------------
Free energy:   -415.029408
Extrapolated:  -414.247749

Fermi level: -6.49286

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54964    0.14184
  0   340     -6.54636    0.14014
  0   341     -6.54323    0.13852
  0   342     -6.51806    0.12504

  1   339     -6.46751    0.19421
  1   340     -6.41890    0.14360
  1   341     -6.38752    0.11492
  1   342     -6.37555    0.10502



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17460
  1 Pt    0.00000   -0.00291   -0.37615
  2 Pt    0.00000   -0.01896   -0.43383
  3 O    -1.68334    0.00027   -0.71878
  4 O     1.68334    0.00027   -0.71878
  5 O     0.00000   -0.01288   -1.38745
  6 O     0.00000   -0.00285    1.76547
  7 Pt   -0.00000    0.01363    0.45061
  8 Pt    0.00000   -0.03608    0.75164
  9 O    -1.58058    0.00060    0.05150
 10 O     1.58058    0.00060    0.05150
 11 O     0.00000   -0.00879   -0.56640
 12 O    -0.00000    0.02841    0.13993
 13 Pt   -0.00000    0.32249   -0.02609
 14 Pt    0.00000   -0.02025    0.00814
 15 O     0.00092    0.01092    0.00293
 16 O    -0.00092    0.01092    0.00293
 17 O    -0.00000    0.00634   -1.21163
 18 O    -0.00000    0.00478    0.03178
 19 Pt    0.00000   -0.01931    0.13842
 20 Pt    0.00000   -0.03418    0.25118
 21 O    -0.21915    0.41151    0.24934
 22 O     0.21915    0.41151    0.24934
 23 O     0.00000   -0.01624   -0.07024
 24 O     0.00000   -0.00078    1.15036
 25 Pt   -0.00000    0.01811   -0.37899
 26 Pt    0.00000   -0.00007   -0.43574
 27 O    -1.69195    0.01327   -0.71801
 28 O     1.69195    0.01327   -0.71801
 29 O    -0.00000    0.04383   -1.39182
 30 O     0.00000   -0.00446    1.83289
 31 Pt   -0.00000    0.02012    0.51086
 32 Pt    0.00000   -0.13585    0.58948
 33 O    -1.61376   -0.01936    0.06993
 34 O     1.61376   -0.01936    0.06993
 35 O     0.00000   -0.03254   -0.52615
 36 O    -0.00000    0.23447   -0.13514
 37 Pt    0.00000   -0.41106   -0.04473
 38 Pt    0.00000   -0.00358   -0.01419
 39 O     0.01205    0.01179    0.01600
 40 O    -0.01205    0.01179    0.01600
 41 O    -0.00000    0.01584    0.20780
 42 O    -0.00000    0.03953   -0.01805
 43 Pt    0.00000   -0.01908    0.09581
 44 Pt    0.00000   -0.09761   -0.14863
 45 O    -0.21120   -0.46679    0.25075
 46 O     0.21120   -0.46679    0.25075
 47 O     0.00000   -0.02512   -0.05014
 48 O    -0.00000    0.02239    1.17243
 49 Pt    0.00000   -0.02331   -0.37866
 50 Pt   -0.00000    0.02094   -0.43679
 51 O    -1.69140   -0.01387   -0.71804
 52 O     1.69140   -0.01387   -0.71804
 53 O     0.00000   -0.00820   -1.40658
 54 O     0.00000   -0.00192    1.77481
 55 Pt    0.00000   -0.01279    0.51642
 56 Pt   -0.00000    0.11319    0.65628
 57 O    -1.61441    0.01402    0.09010
 58 O     1.61441    0.01402    0.09010
 59 O     0.00000   -0.02130   -0.51670
 60 O     0.00000   -0.24505   -0.12123
 61 Pt   -0.00000    0.06806   -0.10348
 62 Pt   -0.00000    0.01676   -0.00635
 63 O    -0.01356   -0.00828    0.00341
 64 O     0.01356   -0.00828    0.00341
 65 O    -0.00000    0.00432   -0.00259
 66 O     0.00000   -0.02140   -0.00344
 67 Pt   -0.00000    0.01878   -0.02170
 68 Pt   -0.00000    0.14212    0.01574
 69 O     0.01260    0.03288   -0.04661
 70 O    -0.01260    0.03288   -0.04661
 71 O    -0.00000    0.01044   -0.04160
 72 N    -0.00000    0.01198    0.05903
 73 N    -0.00000    0.05953    0.06135

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                     Pt            
          O Pt   O     O           
             O                     
        O     O    PtO             
         PtO Pt                    
               OPt O     O         
       Pt   O     O Pt             
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.608187   24.114915    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.955823   25.006568    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:27:21  -2.33   +inf  -414.262094    3      1      
iter:   2  21:29:22  -3.17  -3.13  -414.437995    3      1      
iter:   3  21:31:24  -3.69  -2.45  -414.255254    3      1      
iter:   4  21:33:26  -3.99  -3.50  -414.256460    3      1      
iter:   5  21:35:28  -4.03  -3.52  -414.248961    3      1      
iter:   6  21:37:30  -4.59  -3.58  -414.251667    3      1      
iter:   7  21:39:32  -5.25  -4.15  -414.251833    3      1      
iter:   8  21:41:33  -5.18  -4.20  -414.251262    3      1      
iter:   9  21:43:35  -5.36  -4.16  -414.252308    2      1      
iter:  10  21:45:37  -5.64  -3.57  -414.251526    2      1      
iter:  11  21:47:39  -6.49  -4.33  -414.251135    2      1      
iter:  12  21:49:41  -6.54  -4.46  -414.251502    2      1      
iter:  13  21:51:43  -6.49  -4.66  -414.251322    2      1      
iter:  14  21:53:45  -6.88  -4.77  -414.251332    2      1      
iter:  15  21:55:45  -6.95  -5.06  -414.251351    2      1      
iter:  16  21:57:38  -7.61  -4.86  -414.251336    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962881, -32.493948, 0.045969) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.499165
Potential:     -137.409358
External:        +0.000000
XC:            -305.076009
Entropy (-ST):   -1.563649
Local:          +10.516690
--------------------------
Free energy:   -415.033161
Extrapolated:  -414.251336

Fermi level: -6.49689

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55375    0.14188
  0   340     -6.54991    0.13990
  0   341     -6.54798    0.13889
  0   342     -6.52253    0.12528

  1   339     -6.47129    0.19394
  1   340     -6.42261    0.14328
  1   341     -6.39166    0.11502
  1   342     -6.38003    0.10539



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17474
  1 Pt    0.00000   -0.00289   -0.37693
  2 Pt    0.00000   -0.01899   -0.43460
  3 O    -1.68543    0.00029   -0.71869
  4 O     1.68543    0.00029   -0.71869
  5 O     0.00000   -0.01272   -1.38687
  6 O     0.00000   -0.00280    1.75799
  7 Pt   -0.00000    0.01366    0.44843
  8 Pt    0.00000   -0.03645    0.75055
  9 O    -1.58087    0.00055    0.05131
 10 O     1.58087    0.00055    0.05131
 11 O     0.00000   -0.00876   -0.56673
 12 O    -0.00000    0.02667    0.13945
 13 Pt   -0.00000    0.32251   -0.02912
 14 Pt    0.00000   -0.02037    0.00650
 15 O     0.00116    0.01108    0.00253
 16 O    -0.00116    0.01108    0.00253
 17 O    -0.00000    0.00625   -1.21865
 18 O    -0.00000    0.00454    0.03203
 19 Pt    0.00000   -0.01958    0.13724
 20 Pt    0.00000   -0.03322    0.24948
 21 O    -0.21840    0.41067    0.24891
 22 O     0.21840    0.41067    0.24891
 23 O     0.00000   -0.01658   -0.07070
 24 O     0.00000   -0.00080    1.15056
 25 Pt   -0.00000    0.01805   -0.37969
 26 Pt    0.00000   -0.00010   -0.43626
 27 O    -1.69400    0.01324   -0.71791
 28 O     1.69400    0.01324   -0.71791
 29 O    -0.00000    0.04390   -1.39093
 30 O     0.00000   -0.00432    1.82563
 31 Pt   -0.00000    0.02008    0.50860
 32 Pt    0.00000   -0.13562    0.58738
 33 O    -1.61407   -0.01924    0.06977
 34 O     1.61407   -0.01924    0.06977
 35 O     0.00000   -0.03247   -0.52691
 36 O    -0.00000    0.23446   -0.13469
 37 Pt    0.00000   -0.40706   -0.04693
 38 Pt    0.00000   -0.00394   -0.01539
 39 O     0.01240    0.01160    0.01563
 40 O    -0.01240    0.01160    0.01563
 41 O    -0.00000    0.01487    0.18762
 42 O    -0.00000    0.03928   -0.01709
 43 Pt    0.00000   -0.01775    0.09673
 44 Pt    0.00000   -0.09646   -0.13879
 45 O    -0.21149   -0.46281    0.25166
 46 O     0.21149   -0.46281    0.25166
 47 O     0.00000   -0.02403   -0.05083
 48 O    -0.00000    0.02243    1.17261
 49 Pt    0.00000   -0.02327   -0.37919
 50 Pt   -0.00000    0.02101   -0.43744
 51 O    -1.69342   -0.01385   -0.71791
 52 O     1.69342   -0.01385   -0.71791
 53 O     0.00000   -0.00843   -1.40584
 54 O     0.00000   -0.00213    1.76747
 55 Pt    0.00000   -0.01278    0.51397
 56 Pt   -0.00000    0.11330    0.65487
 57 O    -1.61486    0.01396    0.08984
 58 O     1.61486    0.01396    0.08984
 59 O     0.00000   -0.02138   -0.51732
 60 O     0.00000   -0.24336   -0.12178
 61 Pt   -0.00000    0.06419   -0.10522
 62 Pt   -0.00000    0.01725   -0.00781
 63 O    -0.01312   -0.00824    0.00307
 64 O     0.01312   -0.00824    0.00307
 65 O    -0.00000    0.00446   -0.00959
 66 O     0.00000   -0.02088   -0.00297
 67 Pt   -0.00000    0.01744   -0.01844
 68 Pt   -0.00000    0.14156    0.01619
 69 O     0.01151    0.02978   -0.04461
 70 O    -0.01151    0.02978   -0.04461
 71 O    -0.00000    0.00974   -0.04132
 72 N     0.00000   -0.03544    0.12714
 73 N     0.00000   -0.02990    0.05112

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             O    N                
                                   
          O      O   PtO           
            Pt                     
        O     O    PtO             
         PtO Pt                    
               OPt O     O         
       Pt   O     O Pt             
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.601226   24.150342    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.957047   25.046549    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:02:03  -2.28   +inf  -414.603101    3      1      
iter:   2  22:04:05  -2.35  -2.34  -422.386579    3      1      
iter:   3  22:06:07  -2.79  -1.71  -414.335057    4      1      
iter:   4  22:08:08  -3.29  -2.66  -414.272364    3      1      
iter:   5  22:10:10  -3.90  -3.27  -414.261421    3      1      
iter:   6  22:12:12  -4.07  -3.37  -414.259644    3      1      
iter:   7  22:14:12  -4.31  -3.32  -414.258568    3      1      
iter:   8  22:16:14  -4.65  -3.45  -414.258310    3      1      
iter:   9  22:18:15  -5.08  -3.94  -414.257564    2      1      
iter:  10  22:20:17  -5.46  -3.96  -414.258557    2      1      
iter:  11  22:22:18  -5.48  -4.01  -414.256032    3      1      
iter:  12  22:24:19  -5.67  -3.86  -414.257736    2      1      
iter:  13  22:26:19  -5.69  -3.87  -414.257306    3      1      
iter:  14  22:28:19  -5.95  -4.39  -414.257272    2      1      
iter:  15  22:30:18  -6.23  -4.38  -414.257394    2      1      
iter:  16  22:32:16  -6.83  -4.76  -414.257268    2      1      
iter:  17  22:34:14  -6.81  -4.67  -414.257582    2      1      
iter:  18  22:36:13  -6.84  -4.66  -414.257233    2      1      
iter:  19  22:38:06  -7.16  -4.41  -414.257306    2      1      
iter:  20  22:39:59  -7.65  -4.99  -414.257308    2      1      

Converged after 20 iterations.

Dipole moment: (-55.962859, -32.493692, 0.038377) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.643394
Potential:     -137.543677
External:        +0.000000
XC:            -305.090700
Entropy (-ST):   -1.563857
Local:          +10.515603
--------------------------
Free energy:   -415.039237
Extrapolated:  -414.257308

Fermi level: -6.50231

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55959    0.14209
  0   340     -6.55573    0.14010
  0   341     -6.55356    0.13897
  0   342     -6.52812    0.12537

  1   339     -6.47691    0.19415
  1   340     -6.42825    0.14350
  1   341     -6.39718    0.11510
  1   342     -6.38592    0.10575



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17483
  1 Pt    0.00000   -0.00289   -0.37562
  2 Pt    0.00000   -0.01899   -0.43318
  3 O    -1.68332    0.00027   -0.71868
  4 O     1.68332    0.00027   -0.71868
  5 O     0.00000   -0.01260   -1.38737
  6 O     0.00000   -0.00282    1.76584
  7 Pt   -0.00000    0.01367    0.45097
  8 Pt    0.00000   -0.03694    0.75247
  9 O    -1.58080    0.00060    0.05168
 10 O     1.58080    0.00060    0.05168
 11 O     0.00000   -0.00878   -0.56607
 12 O    -0.00000    0.02522    0.13955
 13 Pt   -0.00000    0.32255   -0.02751
 14 Pt    0.00000   -0.02033    0.00808
 15 O     0.00053    0.01104    0.00308
 16 O    -0.00053    0.01104    0.00308
 17 O    -0.00000    0.00611   -1.21206
 18 O    -0.00000    0.00442    0.03200
 19 Pt    0.00000   -0.01924    0.13835
 20 Pt    0.00000   -0.03038    0.25484
 21 O    -0.21901    0.41143    0.24885
 22 O     0.21901    0.41143    0.24885
 23 O     0.00000   -0.01586   -0.07121
 24 O     0.00000   -0.00076    1.15062
 25 Pt   -0.00000    0.01802   -0.37841
 26 Pt    0.00000   -0.00006   -0.43496
 27 O    -1.69190    0.01329   -0.71793
 28 O     1.69190    0.01329   -0.71793
 29 O    -0.00000    0.04383   -1.39144
 30 O     0.00000   -0.00440    1.83302
 31 Pt   -0.00000    0.02003    0.51119
 32 Pt    0.00000   -0.13572    0.58899
 33 O    -1.61391   -0.01933    0.07024
 34 O     1.61391   -0.01933    0.07024
 35 O     0.00000   -0.03254   -0.52601
 36 O    -0.00000    0.23445   -0.13343
 37 Pt    0.00000   -0.40353   -0.04533
 38 Pt    0.00000   -0.00365   -0.01379
 39 O     0.01177    0.01165    0.01608
 40 O    -0.01177    0.01165    0.01608
 41 O    -0.00000    0.01462    0.17851
 42 O    -0.00000    0.03945   -0.01741
 43 Pt    0.00000   -0.01726    0.10260
 44 Pt    0.00000   -0.09839   -0.12890
 45 O    -0.21502   -0.45946    0.25737
 46 O     0.21502   -0.45946    0.25737
 47 O     0.00000   -0.02551   -0.05329
 48 O    -0.00000    0.02238    1.17267
 49 Pt    0.00000   -0.02324   -0.37804
 50 Pt   -0.00000    0.02096   -0.43615
 51 O    -1.69136   -0.01387   -0.71795
 52 O     1.69136   -0.01387   -0.71795
 53 O     0.00000   -0.00847   -1.40638
 54 O     0.00000   -0.00202    1.77507
 55 Pt    0.00000   -0.01274    0.51664
 56 Pt   -0.00000    0.11386    0.65691
 57 O    -1.61459    0.01399    0.09033
 58 O     1.61459    0.01399    0.09033
 59 O     0.00000   -0.02130   -0.51652
 60 O     0.00000   -0.24200   -0.12144
 61 Pt   -0.00000    0.06073   -0.10329
 62 Pt   -0.00000    0.01695   -0.00617
 63 O    -0.01384   -0.00827    0.00353
 64 O     0.01384   -0.00827    0.00353
 65 O    -0.00000    0.00403   -0.00387
 66 O     0.00000   -0.02092   -0.00338
 67 Pt   -0.00000    0.01637   -0.01588
 68 Pt   -0.00000    0.14160    0.01597
 69 O     0.00825    0.02584   -0.04255
 70 O    -0.00825    0.02584   -0.04255
 71 O    -0.00000    0.01039   -0.04336
 72 N    -0.00000    0.05812   -0.05304
 73 N     0.00000   -0.07743    0.20609

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             O    N                
                                   
          O      O   PtO           
            Pt                     
        O          PtO             
         PtO PO      O             
                Pt O               
       Pt   O  O  O Pt   O         
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.594410   24.181269    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.960042   25.086437    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:44:24  -2.35   +inf  -414.276070    3      1      
iter:   2  22:46:27  -3.19  -3.14  -414.438667    3      1      
iter:   3  22:48:29  -3.71  -2.46  -414.268491    3      1      
iter:   4  22:50:30  -4.03  -3.50  -414.272179    3      1      
iter:   5  22:52:32  -3.96  -3.41  -414.263177    3      1      
iter:   6  22:54:34  -4.80  -3.75  -414.265286    3      1      
iter:   7  22:56:36  -5.17  -4.14  -414.265003    3      1      
iter:   8  22:58:38  -5.16  -4.20  -414.265030    2      1      
iter:   9  23:00:40  -5.57  -3.94  -414.266380    2      1      
iter:  10  23:02:42  -5.49  -3.44  -414.264891    2      1      
iter:  11  23:04:43  -6.11  -4.54  -414.264437    2      1      
iter:  12  23:06:44  -6.34  -4.39  -414.265229    3      1      
iter:  13  23:08:45  -6.70  -4.46  -414.264843    2      1      
iter:  14  23:10:47  -6.77  -4.80  -414.264814    2      1      
iter:  15  23:12:48  -7.05  -4.96  -414.264898    2      1      
iter:  16  23:14:46  -7.49  -4.48  -414.264849    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962941, -32.494131, 0.034722) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.332631
Potential:     -137.305141
External:        +0.000000
XC:            -305.018598
Entropy (-ST):   -1.563991
Local:          +10.508254
--------------------------
Free energy:   -415.046845
Extrapolated:  -414.264849

Fermi level: -6.50550

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56306    0.14223
  0   340     -6.55892    0.14010
  0   341     -6.55706    0.13914
  0   342     -6.53154    0.12550

  1   339     -6.48003    0.19407
  1   340     -6.43143    0.14349
  1   341     -6.40047    0.11518
  1   342     -6.38947    0.10605



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17479
  1 Pt    0.00000   -0.00287   -0.37574
  2 Pt    0.00000   -0.01901   -0.43358
  3 O    -1.68333    0.00033   -0.71862
  4 O     1.68333    0.00033   -0.71862
  5 O     0.00000   -0.01247   -1.38747
  6 O     0.00000   -0.00282    1.76554
  7 Pt   -0.00000    0.01363    0.45139
  8 Pt    0.00000   -0.03727    0.75298
  9 O    -1.58073    0.00048    0.05176
 10 O     1.58073    0.00048    0.05176
 11 O     0.00000   -0.00878   -0.56617
 12 O    -0.00000    0.02382    0.13928
 13 Pt   -0.00000    0.32247   -0.02797
 14 Pt    0.00000   -0.02032    0.00851
 15 O     0.00044    0.01117    0.00318
 16 O    -0.00044    0.01117    0.00318
 17 O    -0.00000    0.00619   -1.21277
 18 O    -0.00000    0.00425    0.03156
 19 Pt    0.00000   -0.01925    0.13653
 20 Pt    0.00000   -0.02983    0.24947
 21 O    -0.21907    0.41126    0.24739
 22 O     0.21907    0.41126    0.24739
 23 O     0.00000   -0.01681   -0.07365
 24 O     0.00000   -0.00083    1.15062
 25 Pt   -0.00000    0.01797   -0.37850
 26 Pt    0.00000   -0.00014   -0.43512
 27 O    -1.69188    0.01321   -0.71787
 28 O     1.69188    0.01321   -0.71787
 29 O    -0.00000    0.04389   -1.39120
 30 O     0.00000   -0.00421    1.83333
 31 Pt   -0.00000    0.02007    0.51159
 32 Pt    0.00000   -0.13545    0.58872
 33 O    -1.61386   -0.01915    0.07036
 34 O     1.61386   -0.01915    0.07036
 35 O     0.00000   -0.03241   -0.52631
 36 O    -0.00000    0.23441   -0.13311
 37 Pt    0.00000   -0.40009   -0.04488
 38 Pt    0.00000   -0.00405   -0.01335
 39 O     0.01175    0.01153    0.01633
 40 O    -0.01175    0.01153    0.01633
 41 O    -0.00000    0.01384    0.16764
 42 O    -0.00000    0.03906   -0.01729
 43 Pt    0.00000   -0.01648    0.10119
 44 Pt    0.00000   -0.09706   -0.12087
 45 O    -0.21573   -0.45693    0.25529
 46 O     0.21573   -0.45693    0.25529
 47 O     0.00000   -0.02398   -0.05506
 48 O    -0.00000    0.02247    1.17265
 49 Pt    0.00000   -0.02321   -0.37796
 50 Pt   -0.00000    0.02107   -0.43638
 51 O    -1.69127   -0.01386   -0.71787
 52 O     1.69127   -0.01386   -0.71787
 53 O     0.00000   -0.00864   -1.40624
 54 O     0.00000   -0.00220    1.77531
 55 Pt    0.00000   -0.01274    0.51692
 56 Pt   -0.00000    0.11390    0.65714
 57 O    -1.61470    0.01393    0.09043
 58 O     1.61470    0.01393    0.09043
 59 O     0.00000   -0.02144   -0.51681
 60 O     0.00000   -0.24060   -0.12182
 61 Pt   -0.00000    0.05750   -0.10263
 62 Pt   -0.00000    0.01734   -0.00602
 63 O    -0.01374   -0.00827    0.00365
 64 O     0.01374   -0.00827    0.00365
 65 O    -0.00000    0.00404   -0.00343
 66 O     0.00000   -0.02039   -0.00363
 67 Pt   -0.00000    0.01535   -0.01359
 68 Pt   -0.00000    0.14089    0.01519
 69 O     0.00622    0.02351   -0.04234
 70 O    -0.00622    0.02351   -0.04234
 71 O    -0.00000    0.00992   -0.04435
 72 N     0.00000   -0.04302    0.17676
 73 N    -0.00000    0.06671   -0.04506

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             O    N                
                                   
          O      O   PtO           
            Pt                     
        O          PtO             
         PtO PO      O             
                Pt O               
       Pt   O  O  O Pt   O         
           PtO  O                  
            O     Pt PtO           
        Pt O                       
          O Pt Pt   O  O           
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.587629   24.211818    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.963183   25.126313    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:24:06  -2.36   +inf  -414.275677    3      1      
iter:   2  23:26:07  -3.24  -3.24  -414.364585    2      1      
iter:   3  23:28:09  -3.75  -2.59  -414.273367    3      1      
iter:   4  23:30:11  -3.72  -3.52  -414.267177    3      1      
iter:   5  23:32:13  -4.15  -3.62  -414.271644    3      1      
iter:   6  23:34:14  -4.86  -3.69  -414.268923    3      1      
iter:   7  23:36:16  -5.20  -4.15  -414.268641    2      1      
iter:   8  23:38:17  -5.08  -4.19  -414.268655    3      1      
iter:   9  23:40:19  -5.74  -3.97  -414.270332    2      1      
iter:  10  23:42:20  -5.63  -3.54  -414.268633    2      1      
iter:  11  23:44:21  -6.23  -4.37  -414.268879    2      1      
iter:  12  23:46:22  -6.41  -4.66  -414.268435    2      1      
iter:  13  23:48:24  -6.72  -4.46  -414.268956    2      1      
iter:  14  23:50:26  -6.94  -4.62  -414.268759    2      1      
iter:  15  23:52:27  -7.31  -5.17  -414.268777    2      1      
iter:  16  23:54:28  -7.65  -4.86  -414.268716    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962990, -32.494226, 0.030166) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +17.938620
Potential:     -136.998875
External:        +0.000000
XC:            -304.933022
Entropy (-ST):   -1.564141
Local:          +10.506632
--------------------------
Free energy:   -415.050787
Extrapolated:  -414.268716

Fermi level: -6.50936

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56721    0.14238
  0   340     -6.56272    0.14007
  0   341     -6.56121    0.13929
  0   342     -6.53561    0.12561

  1   339     -6.48380    0.19397
  1   340     -6.43524    0.14344
  1   341     -6.40440    0.11525
  1   342     -6.39367    0.10632



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17516
  1 Pt    0.00000   -0.00286   -0.37592
  2 Pt    0.00000   -0.01899   -0.43325
  3 O    -1.68356    0.00024   -0.71873
  4 O     1.68356    0.00024   -0.71873
  5 O     0.00000   -0.01237   -1.38782
  6 O     0.00000   -0.00282    1.76444
  7 Pt   -0.00000    0.01360    0.44957
  8 Pt    0.00000   -0.03761    0.75185
  9 O    -1.58069    0.00057    0.05079
 10 O     1.58069    0.00057    0.05079
 11 O     0.00000   -0.00878   -0.56760
 12 O    -0.00000    0.02294    0.13828
 13 Pt   -0.00000    0.32258   -0.02988
 14 Pt    0.00000   -0.02028    0.00773
 15 O     0.00068    0.01105    0.00266
 16 O    -0.00068    0.01105    0.00266
 17 O    -0.00000    0.00601   -1.21352
 18 O    -0.00000    0.00414    0.03126
 19 Pt    0.00000   -0.01910    0.13634
 20 Pt    0.00000   -0.02795    0.25083
 21 O    -0.21873    0.41135    0.24716
 22 O     0.21873    0.41135    0.24716
 23 O     0.00000   -0.01682   -0.07432
 24 O     0.00000   -0.00077    1.15097
 25 Pt   -0.00000    0.01791   -0.37871
 26 Pt    0.00000   -0.00005   -0.43495
 27 O    -1.69214    0.01331   -0.71801
 28 O     1.69214    0.01331   -0.71801
 29 O    -0.00000    0.04383   -1.39174
 30 O     0.00000   -0.00443    1.83150
 31 Pt   -0.00000    0.02008    0.50978
 32 Pt    0.00000   -0.13567    0.58747
 33 O    -1.61374   -0.01925    0.06943
 34 O     1.61374   -0.01925    0.06943
 35 O     0.00000   -0.03251   -0.52739
 36 O    -0.00000    0.23454   -0.13368
 37 Pt    0.00000   -0.39745   -0.04661
 38 Pt    0.00000   -0.00367   -0.01417
 39 O     0.01193    0.01165    0.01565
 40 O    -0.01193    0.01165    0.01565
 41 O    -0.00000    0.01356    0.15569
 42 O    -0.00000    0.03921   -0.01771
 43 Pt    0.00000   -0.01606    0.10373
 44 Pt    0.00000   -0.09778   -0.11033
 45 O    -0.21712   -0.45451    0.25732
 46 O     0.21712   -0.45451    0.25732
 47 O     0.00000   -0.02404   -0.05628
 48 O    -0.00000    0.02240    1.17302
 49 Pt    0.00000   -0.02316   -0.37834
 50 Pt   -0.00000    0.02095   -0.43622
 51 O    -1.69163   -0.01387   -0.71803
 52 O     1.69163   -0.01387   -0.71803
 53 O     0.00000   -0.00868   -1.40679
 54 O     0.00000   -0.00198    1.77365
 55 Pt    0.00000   -0.01272    0.51521
 56 Pt   -0.00000    0.11444    0.65616
 57 O    -1.61444    0.01394    0.08951
 58 O     1.61444    0.01394    0.08951
 59 O     0.00000   -0.02133   -0.51800
 60 O     0.00000   -0.23991   -0.12281
 61 Pt   -0.00000    0.05484   -0.10410
 62 Pt   -0.00000    0.01692   -0.00680
 63 O    -0.01388   -0.00826    0.00303
 64 O     0.01388   -0.00826    0.00303
 65 O    -0.00000    0.00392   -0.00559
 66 O     0.00000   -0.02041   -0.00410
 67 Pt   -0.00000    0.01456   -0.01169
 68 Pt   -0.00000    0.14038    0.01516
 69 O     0.00461    0.02107   -0.04126
 70 O    -0.00461    0.02107   -0.04126
 71 O    -0.00000    0.01004   -0.04514
 72 N     0.00000   -0.26985    0.37980
 73 N    -0.00000    0.22366   -0.26834

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                                   
          O          Pt            
            Pt   O     O           
                   Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  PtO       O             
            O   O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.579804   24.241256    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.966237   25.166196    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:00:44  -2.34   +inf  -414.281001    3      1      
iter:   2  00:02:45  -3.19  -3.10  -414.481528    3      1      
iter:   3  00:04:46  -3.68  -2.43  -414.277923    2      1      
iter:   4  00:06:47  -4.04  -3.53  -414.270202    3      1      
iter:   5  00:08:48  -3.92  -3.37  -414.272538    3      1      
iter:   6  00:10:50  -4.71  -3.65  -414.271746    2      1      
iter:   7  00:12:50  -5.21  -4.07  -414.271300    2      1      
iter:   8  00:14:41  -5.03  -3.99  -414.271037    2      1      
iter:   9  00:16:30  -5.18  -3.82  -414.270881    3      1      
iter:  10  00:18:19  -5.68  -4.34  -414.271142    2      1      
iter:  11  00:20:08  -6.29  -4.40  -414.271032    2      1      
iter:  12  00:21:58  -6.28  -4.60  -414.271337    2      1      
iter:  13  00:23:47  -6.77  -4.68  -414.271062    2      1      
iter:  14  00:25:36  -7.11  -4.77  -414.271184    2      1      
iter:  15  00:27:25  -7.45  -4.53  -414.271195    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963010, -32.494834, 0.026480) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +17.506182
Potential:     -136.671260
External:        +0.000000
XC:            -304.832252
Entropy (-ST):   -1.564218
Local:          +10.508245
--------------------------
Free energy:   -415.053304
Extrapolated:  -414.271195

Fermi level: -6.51245

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57060    0.14253
  0   340     -6.56589    0.14011
  0   341     -6.56451    0.13940
  0   342     -6.53887    0.12570

  1   339     -6.48681    0.19389
  1   340     -6.43837    0.14348
  1   341     -6.40759    0.11533
  1   342     -6.39706    0.10657



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17514
  1 Pt    0.00000   -0.00284   -0.37608
  2 Pt    0.00000   -0.01900   -0.43380
  3 O    -1.68338    0.00033   -0.71879
  4 O     1.68338    0.00033   -0.71879
  5 O     0.00000   -0.01228   -1.38773
  6 O     0.00000   -0.00283    1.76537
  7 Pt   -0.00000    0.01363    0.45123
  8 Pt    0.00000   -0.03791    0.75298
  9 O    -1.58074    0.00053    0.05144
 10 O     1.58074    0.00053    0.05144
 11 O     0.00000   -0.00881   -0.56668
 12 O    -0.00000    0.02161    0.13815
 13 Pt   -0.00000    0.32222   -0.02912
 14 Pt    0.00000   -0.02031    0.00851
 15 O     0.00028    0.01105    0.00326
 16 O    -0.00028    0.01105    0.00326
 17 O    -0.00000    0.00605   -1.21128
 18 O    -0.00000    0.00414    0.03153
 19 Pt    0.00000   -0.01897    0.13647
 20 Pt    0.00000   -0.02669    0.25073
 21 O    -0.21925    0.41138    0.24634
 22 O     0.21925    0.41138    0.24634
 23 O     0.00000   -0.01701   -0.07513
 24 O     0.00000   -0.00081    1.15096
 25 Pt   -0.00000    0.01790   -0.37882
 26 Pt    0.00000   -0.00016   -0.43532
 27 O    -1.69194    0.01322   -0.71806
 28 O     1.69194    0.01322   -0.71806
 29 O    -0.00000    0.04386   -1.39143
 30 O     0.00000   -0.00430    1.83299
 31 Pt   -0.00000    0.02001    0.51136
 32 Pt    0.00000   -0.13549    0.58804
 33 O    -1.61380   -0.01919    0.07010
 34 O     1.61380   -0.01919    0.07010
 35 O     0.00000   -0.03246   -0.52665
 36 O    -0.00000    0.23445   -0.13260
 37 Pt    0.00000   -0.39429   -0.04515
 38 Pt    0.00000   -0.00379   -0.01300
 39 O     0.01166    0.01164    0.01632
 40 O    -0.01166    0.01164    0.01632
 41 O    -0.00000    0.01330    0.14802
 42 O    -0.00000    0.03916   -0.01750
 43 Pt    0.00000   -0.01549    0.10540
 44 Pt    0.00000   -0.09895   -0.10478
 45 O    -0.21847   -0.45227    0.25797
 46 O     0.21847   -0.45227    0.25797
 47 O     0.00000   -0.02390   -0.05756
 48 O    -0.00000    0.02245    1.17299
 49 Pt    0.00000   -0.02318   -0.37836
 50 Pt   -0.00000    0.02108   -0.43666
 51 O    -1.69133   -0.01387   -0.71807
 52 O     1.69133   -0.01387   -0.71807
 53 O     0.00000   -0.00880   -1.40657
 54 O     0.00000   -0.00210    1.77516
 55 Pt    0.00000   -0.01268    0.51685
 56 Pt   -0.00000    0.11455    0.65721
 57 O    -1.61459    0.01393    0.09024
 58 O     1.61459    0.01393    0.09024
 59 O     0.00000   -0.02136   -0.51722
 60 O     0.00000   -0.23853   -0.12260
 61 Pt   -0.00000    0.05210   -0.10231
 62 Pt   -0.00000    0.01708   -0.00590
 63 O    -0.01402   -0.00826    0.00365
 64 O     0.01402   -0.00826    0.00365
 65 O    -0.00000    0.00360   -0.00360
 66 O     0.00000   -0.02037   -0.00412
 67 Pt   -0.00000    0.01368   -0.00983
 68 Pt   -0.00000    0.14077    0.01439
 69 O     0.00293    0.01880   -0.04032
 70 O    -0.00293    0.01880   -0.04032
 71 O    -0.00000    0.01013   -0.04609
 72 N     0.00000   -0.38426    0.71566
 73 N    -0.00000    0.38225   -0.61866

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                                   
                     Pt            
          O Pt   O     O           
                   Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.571617   24.271457    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.969275   25.206081    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:40:10  -2.32   +inf  -414.276907    3      1      
iter:   2  00:41:59  -3.20  -3.30  -414.335504    3      1      
iter:   3  00:43:48  -3.72  -2.69  -414.280395    2      1      
iter:   4  00:45:38  -4.07  -3.36  -414.271324    3      1      
iter:   5  00:47:27  -3.85  -3.38  -414.273748    3      1      
iter:   6  00:49:16  -4.79  -3.78  -414.272856    3      1      
iter:   7  00:51:05  -5.05  -4.15  -414.272340    2      1      
iter:   8  00:52:54  -5.00  -4.14  -414.272606    2      1      
iter:   9  00:54:43  -5.46  -3.82  -414.271900    2      1      
iter:  10  00:56:33  -5.71  -4.26  -414.272517    2      1      
iter:  11  00:58:22  -6.45  -4.39  -414.272224    2      1      
iter:  12  01:00:11  -6.38  -4.35  -414.272654    2      1      
iter:  13  01:02:01  -6.43  -4.46  -414.272448    2      1      
iter:  14  01:03:50  -6.80  -4.74  -414.272387    2      1      
iter:  15  01:05:39  -7.30  -4.77  -414.272405    2      1      
iter:  16  01:07:27  -7.76  -4.92  -414.272394    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963064, -32.495174, 0.021977) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +17.126431
Potential:     -136.380705
External:        +0.000000
XC:            -304.749235
Entropy (-ST):   -1.564437
Local:          +10.513334
--------------------------
Free energy:   -415.054612
Extrapolated:  -414.272394

Fermi level: -6.51595

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57436    0.14267
  0   340     -6.56943    0.14014
  0   341     -6.56816    0.13948
  0   342     -6.54251    0.12578

  1   339     -6.49039    0.19398
  1   340     -6.44188    0.14350
  1   341     -6.41116    0.11539
  1   342     -6.40084    0.10680



Forces in eV/Ang:
  0 O     0.00000   -0.01771    1.17500
  1 Pt    0.00000   -0.00286   -0.37561
  2 Pt    0.00000   -0.01903   -0.43304
  3 O    -1.68280    0.00028   -0.71863
  4 O     1.68280    0.00028   -0.71863
  5 O     0.00000   -0.01220   -1.38767
  6 O     0.00000   -0.00282    1.76743
  7 Pt   -0.00000    0.01361    0.45150
  8 Pt    0.00000   -0.03813    0.75359
  9 O    -1.58064    0.00053    0.05157
 10 O     1.58064    0.00053    0.05157
 11 O     0.00000   -0.00878   -0.56688
 12 O    -0.00000    0.02095    0.13835
 13 Pt   -0.00000    0.32241   -0.02947
 14 Pt    0.00000   -0.02034    0.00863
 15 O     0.00027    0.01109    0.00320
 16 O    -0.00027    0.01109    0.00320
 17 O    -0.00000    0.00580   -1.21091
 18 O    -0.00000    0.00385    0.03126
 19 Pt    0.00000   -0.01878    0.13710
 20 Pt    0.00000   -0.02498    0.25305
 21 O    -0.21894    0.41145    0.24689
 22 O     0.21894    0.41145    0.24689
 23 O     0.00000   -0.01678   -0.07554
 24 O     0.00000   -0.00078    1.15079
 25 Pt   -0.00000    0.01788   -0.37836
 26 Pt    0.00000   -0.00011   -0.43457
 27 O    -1.69134    0.01326   -0.71791
 28 O     1.69134    0.01326   -0.71791
 29 O    -0.00000    0.04383   -1.39141
 30 O     0.00000   -0.00436    1.83486
 31 Pt   -0.00000    0.02004    0.51170
 32 Pt    0.00000   -0.13553    0.58844
 33 O    -1.61368   -0.01917    0.07031
 34 O     1.61368   -0.01917    0.07031
 35 O     0.00000   -0.03248   -0.52663
 36 O    -0.00000    0.23451   -0.13227
 37 Pt    0.00000   -0.39224   -0.04558
 38 Pt    0.00000   -0.00374   -0.01323
 39 O     0.01162    0.01160    0.01615
 40 O    -0.01162    0.01160    0.01615
 41 O    -0.00000    0.01298    0.13940
 42 O    -0.00000    0.03908   -0.01752
 43 Pt    0.00000   -0.01493    0.10907
 44 Pt    0.00000   -0.09984   -0.09422
 45 O    -0.21974   -0.45016    0.26066
 46 O     0.21974   -0.45016    0.26066
 47 O     0.00000   -0.02397   -0.05792
 48 O    -0.00000    0.02243    1.17283
 49 Pt    0.00000   -0.02314   -0.37794
 50 Pt   -0.00000    0.02105   -0.43595
 51 O    -1.69077   -0.01387   -0.71792
 52 O     1.69077   -0.01387   -0.71792
 53 O     0.00000   -0.00883   -1.40654
 54 O     0.00000   -0.00206    1.77698
 55 Pt    0.00000   -0.01268    0.51715
 56 Pt   -0.00000    0.11479    0.65781
 57 O    -1.61445    0.01390    0.09040
 58 O     1.61445    0.01390    0.09040
 59 O     0.00000   -0.02136   -0.51727
 60 O     0.00000   -0.23797   -0.12247
 61 Pt   -0.00000    0.04996   -0.10260
 62 Pt   -0.00000    0.01707   -0.00591
 63 O    -0.01415   -0.00825    0.00349
 64 O     0.01415   -0.00825    0.00349
 65 O    -0.00000    0.00364   -0.00330
 66 O     0.00000   -0.01997   -0.00440
 67 Pt   -0.00000    0.01276   -0.00644
 68 Pt   -0.00000    0.14052    0.01626
 69 O     0.00149    0.01670   -0.03839
 70 O    -0.00149    0.01670   -0.03839
 71 O    -0.00000    0.01001   -0.04617
 72 N     0.00000   -0.48214    0.93710
 73 N    -0.00000    0.56738   -0.78862

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                                   
                     Pt            
          O Pt   O     O           
                   Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.561079   24.307309    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.970307   25.245416    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:13:17  -2.26   +inf  -414.343344    4      1      
iter:   2  01:15:07  -2.94  -2.77  -415.258036    4      1      
iter:   3  01:16:57  -3.36  -2.11  -414.303887    3      1      
iter:   4  01:18:51  -3.91  -2.88  -414.288963    3      1      
iter:   5  01:20:45  -4.31  -3.44  -414.280816    3      1      
iter:   6  01:22:38  -4.08  -3.56  -414.277521    2      1      
iter:   7  01:24:32  -4.96  -3.66  -414.278718    2      1      
iter:   8  01:26:26  -4.83  -3.93  -414.279175    3      1      
iter:   9  01:28:19  -5.02  -4.04  -414.280092    3      1      
iter:  10  01:30:13  -5.15  -3.46  -414.282009    3      1      
iter:  11  01:32:06  -5.38  -3.61  -414.277874    3      1      
iter:  12  01:33:58  -5.51  -3.77  -414.279558    2      1      
iter:  13  01:35:51  -5.57  -4.12  -414.279187    3      1      
iter:  14  01:37:45  -6.13  -4.30  -414.279066    2      1      
iter:  15  01:39:38  -6.44  -4.50  -414.279018    2      1      
iter:  16  01:41:32  -6.27  -4.20  -414.278641    2      1      
iter:  17  01:43:23  -6.52  -4.50  -414.279308    2      1      
iter:  18  01:45:11  -6.67  -4.47  -414.278679    2      1      
iter:  19  01:46:57  -6.85  -4.69  -414.278905    2      1      
iter:  20  01:48:44  -7.29  -5.15  -414.278895    2      1      
iter:  21  01:50:32  -7.91  -5.31  -414.278906    2      1      

Converged after 21 iterations.

Dipole moment: (-55.963166, -32.494956, 0.017234) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +17.510726
Potential:     -136.688259
External:        +0.000000
XC:            -304.833411
Entropy (-ST):   -1.564510
Local:          +10.514292
--------------------------
Free energy:   -415.061161
Extrapolated:  -414.278906

Fermi level: -6.52006

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57879    0.14283
  0   340     -6.57349    0.14011
  0   341     -6.57245    0.13957
  0   342     -6.54678    0.12587

  1   339     -6.49439    0.19386
  1   340     -6.44598    0.14348
  1   341     -6.41533    0.11544
  1   342     -6.40522    0.10702



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17469
  1 Pt    0.00000   -0.00287   -0.37639
  2 Pt    0.00000   -0.01901   -0.43373
  3 O    -1.68330    0.00026   -0.71870
  4 O     1.68330    0.00026   -0.71870
  5 O     0.00000   -0.01211   -1.38753
  6 O     0.00000   -0.00282    1.76592
  7 Pt   -0.00000    0.01368    0.45087
  8 Pt    0.00000   -0.03846    0.75326
  9 O    -1.58069    0.00062    0.05124
 10 O     1.58069    0.00062    0.05124
 11 O     0.00000   -0.00880   -0.56702
 12 O    -0.00000    0.02017    0.13777
 13 Pt   -0.00000    0.32245   -0.03059
 14 Pt    0.00000   -0.02036    0.00778
 15 O     0.00026    0.01106    0.00287
 16 O    -0.00026    0.01106    0.00287
 17 O    -0.00000    0.00562   -1.20985
 18 O    -0.00000    0.00357    0.03089
 19 Pt    0.00000   -0.01852    0.14083
 20 Pt    0.00000   -0.02300    0.26153
 21 O    -0.21884    0.41154    0.24857
 22 O     0.21884    0.41154    0.24857
 23 O     0.00000   -0.01544   -0.07270
 24 O     0.00000   -0.00073    1.15050
 25 Pt   -0.00000    0.01787   -0.37915
 26 Pt    0.00000   -0.00005   -0.43533
 27 O    -1.69185    0.01330   -0.71799
 28 O     1.69185    0.01330   -0.71799
 29 O    -0.00000    0.04380   -1.39136
 30 O     0.00000   -0.00440    1.83284
 31 Pt   -0.00000    0.01991    0.51106
 32 Pt    0.00000   -0.13560    0.58785
 33 O    -1.61366   -0.01930    0.06999
 34 O     1.61366   -0.01930    0.06999
 35 O     0.00000   -0.03254   -0.52676
 36 O    -0.00000    0.23449   -0.13233
 37 Pt    0.00000   -0.38964   -0.04669
 38 Pt    0.00000   -0.00359   -0.01370
 39 O     0.01162    0.01161    0.01567
 40 O    -0.01162    0.01161    0.01567
 41 O    -0.00000    0.01275    0.12988
 42 O    -0.00000    0.03930   -0.01791
 43 Pt    0.00000   -0.01416    0.11754
 44 Pt    0.00000   -0.10112   -0.07985
 45 O    -0.22145   -0.44760    0.26674
 46 O     0.22145   -0.44760    0.26674
 47 O     0.00000   -0.02517   -0.05583
 48 O    -0.00000    0.02237    1.17253
 49 Pt    0.00000   -0.02312   -0.37880
 50 Pt   -0.00000    0.02098   -0.43672
 51 O    -1.69131   -0.01388   -0.71801
 52 O     1.69131   -0.01388   -0.71801
 53 O     0.00000   -0.00889   -1.40645
 54 O     0.00000   -0.00201    1.77517
 55 Pt    0.00000   -0.01261    0.51650
 56 Pt   -0.00000    0.11517    0.65750
 57 O    -1.61435    0.01394    0.09010
 58 O     1.61435    0.01394    0.09010
 59 O     0.00000   -0.02129   -0.51739
 60 O     0.00000   -0.23723   -0.12293
 61 Pt   -0.00000    0.04742   -0.10333
 62 Pt   -0.00000    0.01696   -0.00649
 63 O    -0.01416   -0.00824    0.00311
 64 O     0.01416   -0.00824    0.00311
 65 O    -0.00000    0.00343   -0.00306
 66 O     0.00000   -0.01990   -0.00496
 67 Pt   -0.00000    0.01155   -0.00043
 68 Pt   -0.00000    0.14069    0.02085
 69 O     0.00023    0.01419   -0.03486
 70 O    -0.00023    0.01419   -0.03486
 71 O    -0.00000    0.00981   -0.04448
 72 N     0.00000   -0.26588    0.54764
 73 N    -0.00000    0.25501   -0.35376

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                                   
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.550622   24.343670    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.969125   25.284240    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:54:45  -2.28   +inf  -414.352790    4      1      
iter:   2  01:56:38  -2.92  -2.74  -415.559342    4      1      
iter:   3  01:58:31  -3.36  -2.05  -414.297617    3      1      
iter:   4  02:00:24  -3.98  -3.01  -414.295369    3      1      
iter:   5  02:02:16  -4.32  -3.42  -414.286374    3      1      
iter:   6  02:04:09  -4.08  -3.54  -414.283695    2      1      
iter:   7  02:06:03  -4.90  -3.66  -414.285765    3      1      
iter:   8  02:07:56  -4.86  -3.70  -414.285399    3      1      
iter:   9  02:09:50  -5.16  -4.16  -414.285319    3      1      
iter:  10  02:11:43  -5.30  -3.64  -414.287620    2      1      
iter:  11  02:13:37  -5.28  -3.79  -414.284283    3      1      
iter:  12  02:15:31  -5.52  -3.80  -414.285576    3      1      
iter:  13  02:17:24  -5.81  -4.23  -414.285323    3      1      
iter:  14  02:19:16  -6.00  -4.35  -414.285101    2      1      
iter:  15  02:21:09  -6.47  -4.31  -414.285150    2      1      
iter:  16  02:23:03  -6.59  -4.63  -414.285009    2      1      
iter:  17  02:24:54  -6.60  -4.50  -414.285158    2      1      
iter:  18  02:26:42  -6.93  -4.86  -414.284865    2      1      
iter:  19  02:28:30  -7.49  -4.80  -414.285058    2      1      

Converged after 19 iterations.

Dipole moment: (-55.963223, -32.494965, 0.012281) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +17.865719
Potential:     -136.970395
External:        +0.000000
XC:            -304.906648
Entropy (-ST):   -1.564648
Local:          +10.508590
--------------------------
Free energy:   -415.067382
Extrapolated:  -414.285058

Fermi level: -6.52422

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58332    0.14302
  0   340     -6.57771    0.14014
  0   341     -6.57680    0.13966
  0   342     -6.55110    0.12595

  1   339     -6.49852    0.19381
  1   340     -6.45016    0.14349
  1   341     -6.41959    0.11553
  1   342     -6.40968    0.10726



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17450
  1 Pt    0.00000   -0.00287   -0.37668
  2 Pt    0.00000   -0.01903   -0.43442
  3 O    -1.68303    0.00026   -0.71899
  4 O     1.68303    0.00026   -0.71899
  5 O     0.00000   -0.01204   -1.38761
  6 O     0.00000   -0.00285    1.76662
  7 Pt   -0.00000    0.01370    0.45134
  8 Pt    0.00000   -0.03874    0.75338
  9 O    -1.58078    0.00060    0.05113
 10 O     1.58078    0.00060    0.05113
 11 O     0.00000   -0.00881   -0.56679
 12 O    -0.00000    0.01923    0.13748
 13 Pt   -0.00000    0.32251   -0.03108
 14 Pt    0.00000   -0.02038    0.00761
 15 O    -0.00019    0.01112    0.00268
 16 O     0.00019    0.01112    0.00268
 17 O    -0.00000    0.00554   -1.20824
 18 O    -0.00000    0.00334    0.03060
 19 Pt    0.00000   -0.01832    0.14296
 20 Pt    0.00000   -0.02187    0.26549
 21 O    -0.21889    0.41167    0.24928
 22 O     0.21889    0.41167    0.24928
 23 O     0.00000   -0.01528   -0.07220
 24 O     0.00000   -0.00074    1.15031
 25 Pt   -0.00000    0.01786   -0.37943
 26 Pt    0.00000   -0.00006   -0.43598
 27 O    -1.69157    0.01329   -0.71829
 28 O     1.69157    0.01329   -0.71829
 29 O    -0.00000    0.04379   -1.39137
 30 O     0.00000   -0.00438    1.83358
 31 Pt   -0.00000    0.01988    0.51156
 32 Pt    0.00000   -0.13556    0.58760
 33 O    -1.61373   -0.01924    0.06991
 34 O     1.61373   -0.01924    0.06991
 35 O     0.00000   -0.03255   -0.52654
 36 O    -0.00000    0.23447   -0.13217
 37 Pt    0.00000   -0.38708   -0.04684
 38 Pt    0.00000   -0.00359   -0.01379
 39 O     0.01116    0.01155    0.01543
 40 O    -0.01116    0.01155    0.01543
 41 O    -0.00000    0.01228    0.12180
 42 O    -0.00000    0.03954   -0.01822
 43 Pt    0.00000   -0.01367    0.12211
 44 Pt    0.00000   -0.10111   -0.06660
 45 O    -0.22261   -0.44559    0.26907
 46 O     0.22261   -0.44559    0.26907
 47 O     0.00000   -0.02472   -0.05533
 48 O    -0.00000    0.02239    1.17234
 49 Pt    0.00000   -0.02311   -0.37907
 50 Pt   -0.00000    0.02100   -0.43741
 51 O    -1.69103   -0.01388   -0.71830
 52 O     1.69103   -0.01388   -0.71830
 53 O     0.00000   -0.00894   -1.40649
 54 O     0.00000   -0.00201    1.77589
 55 Pt    0.00000   -0.01261    0.51696
 56 Pt   -0.00000    0.11539    0.65758
 57 O    -1.61447    0.01391    0.09001
 58 O     1.61447    0.01391    0.09001
 59 O     0.00000   -0.02127   -0.51725
 60 O     0.00000   -0.23630   -0.12323
 61 Pt   -0.00000    0.04488   -0.10334
 62 Pt   -0.00000    0.01699   -0.00651
 63 O    -0.01461   -0.00824    0.00289
 64 O     0.01461   -0.00824    0.00289
 65 O    -0.00000    0.00341   -0.00218
 66 O     0.00000   -0.01990   -0.00545
 67 Pt   -0.00000    0.01069    0.00458
 68 Pt   -0.00000    0.14041    0.02512
 69 O    -0.00115    0.01211   -0.03238
 70 O     0.00115    0.01211   -0.03238
 71 O    -0.00000    0.00926   -0.04382
 72 N     0.00000   -0.16531    0.15468
 73 N    -0.00000    0.08148   -0.05603

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                                   
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.538478   24.379208    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.966382   25.321985    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:32:42  -2.28   +inf  -414.344523    4      1      
iter:   2  02:34:34  -2.99  -2.81  -415.176408    4      1      
iter:   3  02:36:28  -3.41  -2.13  -414.305055    3      1      
iter:   4  02:38:21  -3.96  -2.98  -414.298893    3      1      
iter:   5  02:40:14  -4.28  -3.46  -414.290524    3      1      
iter:   6  02:42:08  -4.08  -3.55  -414.288112    2      1      
iter:   7  02:44:01  -4.95  -3.71  -414.289494    2      1      
iter:   8  02:45:55  -4.94  -3.92  -414.289646    3      1      
iter:   9  02:47:48  -5.11  -4.01  -414.291133    3      1      
iter:  10  02:49:41  -5.18  -3.41  -414.292870    3      1      
iter:  11  02:51:33  -5.32  -3.57  -414.288771    3      1      
iter:  12  02:53:26  -5.44  -3.83  -414.290125    2      1      
iter:  13  02:55:20  -5.68  -4.07  -414.289806    3      1      
iter:  14  02:57:13  -6.20  -4.28  -414.289674    2      1      
iter:  15  02:59:07  -6.43  -4.49  -414.289614    2      1      
iter:  16  03:01:00  -6.31  -4.19  -414.289227    2      1      
iter:  17  03:02:51  -6.61  -4.54  -414.289654    2      1      
iter:  18  03:04:41  -6.95  -4.69  -414.289357    2      1      
iter:  19  03:06:32  -7.37  -4.89  -414.289490    2      1      
iter:  20  03:08:19  -7.66  -5.21  -414.289475    2      1      

Converged after 20 iterations.

Dipole moment: (-55.963260, -32.495004, 0.008016) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.339315
Potential:     -137.359189
External:        +0.000000
XC:            -304.993274
Entropy (-ST):   -1.564800
Local:          +10.506072
--------------------------
Free energy:   -415.071875
Extrapolated:  -414.289475

Fermi level: -6.52774

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58718    0.14319
  0   340     -6.58118    0.14012
  0   341     -6.58044    0.13973
  0   342     -6.55477    0.12604

  1   339     -6.50201    0.19378
  1   340     -6.45364    0.14346
  1   341     -6.42320    0.11560
  1   342     -6.41345    0.10746



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17470
  1 Pt    0.00000   -0.00286   -0.37646
  2 Pt    0.00000   -0.01901   -0.43376
  3 O    -1.68314    0.00026   -0.71871
  4 O     1.68314    0.00026   -0.71871
  5 O     0.00000   -0.01195   -1.38748
  6 O     0.00000   -0.00284    1.76646
  7 Pt   -0.00000    0.01368    0.45100
  8 Pt    0.00000   -0.03899    0.75368
  9 O    -1.58070    0.00062    0.05116
 10 O     1.58070    0.00062    0.05116
 11 O     0.00000   -0.00881   -0.56723
 12 O    -0.00000    0.01838    0.13736
 13 Pt   -0.00000    0.32240   -0.03151
 14 Pt    0.00000   -0.02034    0.00778
 15 O     0.00018    0.01107    0.00280
 16 O    -0.00018    0.01107    0.00280
 17 O    -0.00000    0.00554   -1.20942
 18 O    -0.00000    0.00333    0.03065
 19 Pt    0.00000   -0.01834    0.14157
 20 Pt    0.00000   -0.02058    0.26389
 21 O    -0.21877    0.41148    0.24854
 22 O     0.21877    0.41148    0.24854
 23 O     0.00000   -0.01531   -0.07338
 24 O     0.00000   -0.00073    1.15052
 25 Pt   -0.00000    0.01783   -0.37920
 26 Pt    0.00000   -0.00005   -0.43530
 27 O    -1.69169    0.01331   -0.71801
 28 O     1.69169    0.01331   -0.71801
 29 O    -0.00000    0.04378   -1.39123
 30 O     0.00000   -0.00440    1.83325
 31 Pt   -0.00000    0.01986    0.51120
 32 Pt    0.00000   -0.13557    0.58765
 33 O    -1.61360   -0.01928    0.06998
 34 O     1.61360   -0.01928    0.06998
 35 O     0.00000   -0.03254   -0.52690
 36 O    -0.00000    0.23450   -0.13172
 37 Pt    0.00000   -0.38472   -0.04698
 38 Pt    0.00000   -0.00357   -0.01350
 39 O     0.01154    0.01161    0.01557
 40 O    -0.01154    0.01161    0.01557
 41 O    -0.00000    0.01199    0.11220
 42 O    -0.00000    0.03923   -0.01800
 43 Pt    0.00000   -0.01297    0.12252
 44 Pt    0.00000   -0.10188   -0.06094
 45 O    -0.22343   -0.44360    0.26996
 46 O     0.22343   -0.44360    0.26996
 47 O     0.00000   -0.02511   -0.05705
 48 O    -0.00000    0.02237    1.17254
 49 Pt    0.00000   -0.02309   -0.37887
 50 Pt   -0.00000    0.02098   -0.43676
 51 O    -1.69116   -0.01389   -0.71802
 52 O     1.69116   -0.01389   -0.71802
 53 O     0.00000   -0.00902   -1.40636
 54 O     0.00000   -0.00199    1.77571
 55 Pt    0.00000   -0.01257    0.51664
 56 Pt   -0.00000    0.11565    0.65787
 57 O    -1.61430    0.01393    0.09009
 58 O     1.61430    0.01393    0.09009
 59 O     0.00000   -0.02127   -0.51759
 60 O     0.00000   -0.23551   -0.12326
 61 Pt   -0.00000    0.04269   -0.10314
 62 Pt   -0.00000    0.01694   -0.00648
 63 O    -0.01428   -0.00825    0.00300
 64 O     0.01428   -0.00825    0.00300
 65 O    -0.00000    0.00320   -0.00294
 66 O     0.00000   -0.01956   -0.00540
 67 Pt   -0.00000    0.00987    0.00472
 68 Pt   -0.00000    0.14044    0.02233
 69 O    -0.00225    0.01042   -0.03226
 70 O     0.00225    0.01042   -0.03226
 71 O    -0.00000    0.00967   -0.04522
 72 N    -0.00000    0.13307   -0.16208
 73 N     0.00000   -0.15905    0.29463

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.531760   24.397746    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.962591   25.341677    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:12:31  -2.83   +inf  -414.295697    3      1      
iter:   2  03:14:25  -3.72  -3.45  -414.318453    3      1      
iter:   3  03:16:18  -4.26  -2.82  -414.291420    3      1      
iter:   4  03:18:10  -4.69  -3.47  -414.293549    3      1      
iter:   5  03:20:03  -4.36  -3.67  -414.289542    3      1      
iter:   6  03:21:57  -5.13  -3.88  -414.290078    2      1      
iter:   7  03:23:50  -5.64  -4.43  -414.290201    2      1      
iter:   8  03:25:43  -5.58  -4.32  -414.290224    3      1      
iter:   9  03:27:37  -5.83  -4.53  -414.290516    2      1      
iter:  10  03:29:30  -6.18  -4.36  -414.290212    2      1      
iter:  11  03:31:24  -6.90  -4.49  -414.290206    2      1      
iter:  12  03:33:16  -7.16  -4.93  -414.290199    2      1      
iter:  13  03:35:09  -7.21  -5.09  -414.290079    2      1      
iter:  14  03:37:01  -7.59  -4.83  -414.290194    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963224, -32.495037, 0.005538) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.446423
Potential:     -137.460434
External:        +0.000000
XC:            -305.003635
Entropy (-ST):   -1.564777
Local:          +10.509840
--------------------------
Free energy:   -415.072583
Extrapolated:  -414.290194

Fermi level: -6.52988

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58948    0.14328
  0   340     -6.58336    0.14014
  0   341     -6.58266    0.13977
  0   342     -6.55695    0.12606

  1   339     -6.50406    0.19370
  1   340     -6.45581    0.14349
  1   341     -6.42537    0.11564
  1   342     -6.41570    0.10756



Forces in eV/Ang:
  0 O     0.00000   -0.01774    1.17487
  1 Pt    0.00000   -0.00285   -0.37644
  2 Pt    0.00000   -0.01909   -0.43389
  3 O    -1.68297    0.00027   -0.71868
  4 O     1.68297    0.00027   -0.71868
  5 O     0.00000   -0.01183   -1.38732
  6 O     0.00000   -0.00271    1.76681
  7 Pt   -0.00000    0.01368    0.45148
  8 Pt    0.00000   -0.03901    0.75386
  9 O    -1.58052    0.00061    0.05132
 10 O     1.58052    0.00061    0.05132
 11 O     0.00000   -0.00877   -0.56685
 12 O    -0.00000    0.01755    0.13737
 13 Pt   -0.00000    0.32233   -0.03055
 14 Pt    0.00000   -0.02051    0.00872
 15 O     0.00008    0.01108    0.00317
 16 O    -0.00008    0.01108    0.00317
 17 O    -0.00000    0.00564   -1.20801
 18 O    -0.00000    0.00345    0.03089
 19 Pt    0.00000   -0.01847    0.14047
 20 Pt    0.00000   -0.02043    0.26221
 21 O    -0.21910    0.41155    0.24734
 22 O     0.21910    0.41155    0.24734
 23 O     0.00000   -0.01577   -0.07511
 24 O     0.00000   -0.00074    1.15068
 25 Pt   -0.00000    0.01779   -0.37910
 26 Pt    0.00000   -0.00007   -0.43525
 27 O    -1.69146    0.01326   -0.71798
 28 O     1.69146    0.01326   -0.71798
 29 O    -0.00000    0.04381   -1.39085
 30 O     0.00000   -0.00436    1.83404
 31 Pt   -0.00000    0.01983    0.51154
 32 Pt    0.00000   -0.13552    0.58737
 33 O    -1.61351   -0.01922    0.07014
 34 O     1.61351   -0.01922    0.07014
 35 O     0.00000   -0.03252   -0.52686
 36 O    -0.00000    0.23443   -0.13103
 37 Pt    0.00000   -0.38313   -0.04535
 38 Pt    0.00000   -0.00363   -0.01218
 39 O     0.01168    0.01154    0.01604
 40 O    -0.01168    0.01154    0.01604
 41 O    -0.00000    0.01177    0.10950
 42 O    -0.00000    0.03910   -0.01760
 43 Pt    0.00000   -0.01263    0.12130
 44 Pt    0.00000   -0.10227   -0.05885
 45 O    -0.22357   -0.44286    0.26855
 46 O     0.22357   -0.44286    0.26855
 47 O     0.00000   -0.02481   -0.05943
 48 O    -0.00000    0.02242    1.17270
 49 Pt    0.00000   -0.02306   -0.37872
 50 Pt   -0.00000    0.02107   -0.43686
 51 O    -1.69091   -0.01385   -0.71799
 52 O     1.69091   -0.01385   -0.71799
 53 O     0.00000   -0.00916   -1.40615
 54 O     0.00000   -0.00216    1.77616
 55 Pt    0.00000   -0.01254    0.51694
 56 Pt   -0.00000    0.11560    0.65797
 57 O    -1.61424    0.01388    0.09024
 58 O     1.61424    0.01388    0.09024
 59 O     0.00000   -0.02133   -0.51730
 60 O     0.00000   -0.23458   -0.12319
 61 Pt   -0.00000    0.04119   -0.10140
 62 Pt   -0.00000    0.01718   -0.00548
 63 O    -0.01413   -0.00819    0.00343
 64 O     0.01413   -0.00819    0.00343
 65 O    -0.00000    0.00309   -0.00182
 66 O     0.00000   -0.01958   -0.00515
 67 Pt   -0.00000    0.00960    0.00376
 68 Pt   -0.00000    0.14086    0.02036
 69 O    -0.00256    0.00971   -0.03338
 70 O     0.00256    0.00971   -0.03338
 71 O    -0.00000    0.00987   -0.04701
 72 N    -0.00000    0.22772   -0.24699
 73 N     0.00000   -0.19866    0.30247

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.517125   24.432734    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.949029   25.376539    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:46:03  -2.29   +inf  -414.310209    3      1      
iter:   2  03:47:57  -3.17  -3.11  -414.465746    3      1      
iter:   3  03:49:50  -3.71  -2.46  -414.298801    3      1      
iter:   4  03:51:44  -4.17  -3.18  -414.300299    3      1      
iter:   5  03:53:37  -3.88  -3.40  -414.290402    3      1      
iter:   6  03:55:30  -4.24  -3.46  -414.291085    3      1      
iter:   7  03:57:22  -5.03  -4.07  -414.291846    2      1      
iter:   8  03:59:15  -5.23  -4.03  -414.291175    3      1      
iter:   9  04:01:08  -5.14  -4.08  -414.292485    3      1      
iter:  10  04:03:02  -5.45  -3.80  -414.292178    3      1      
iter:  11  04:04:55  -6.30  -3.85  -414.291572    2      1      
iter:  12  04:06:49  -6.49  -4.24  -414.291726    2      1      
iter:  13  04:08:42  -6.49  -4.36  -414.291461    2      1      
iter:  14  04:10:36  -6.69  -4.75  -414.291489    2      1      
iter:  15  04:12:27  -6.70  -4.60  -414.291422    2      1      
iter:  16  04:14:20  -7.26  -4.88  -414.291462    2      1      
iter:  17  04:16:13  -7.74  -4.73  -414.291446    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963292, -32.495031, 0.001169) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.506665
Potential:     -137.521169
External:        +0.000000
XC:            -305.008605
Entropy (-ST):   -1.564985
Local:          +10.514156
--------------------------
Free energy:   -415.073939
Extrapolated:  -414.291446

Fermi level: -6.53355

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59358    0.14349
  0   340     -6.58699    0.14011
  0   341     -6.58645    0.13983
  0   342     -6.56080    0.12616

  1   339     -6.50770    0.19366
  1   340     -6.45942    0.14343
  1   341     -6.42916    0.11574
  1   342     -6.41964    0.10778



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17487
  1 Pt    0.00000   -0.00286   -0.37614
  2 Pt    0.00000   -0.01900   -0.43368
  3 O    -1.68295    0.00026   -0.71855
  4 O     1.68295    0.00026   -0.71855
  5 O     0.00000   -0.01189   -1.38715
  6 O     0.00000   -0.00303    1.76659
  7 Pt   -0.00000    0.01367    0.45097
  8 Pt    0.00000   -0.03953    0.75364
  9 O    -1.58091    0.00063    0.05112
 10 O     1.58091    0.00063    0.05112
 11 O     0.00000   -0.00889   -0.56728
 12 O    -0.00000    0.01715    0.13712
 13 Pt   -0.00000    0.32234   -0.03182
 14 Pt    0.00000   -0.01997    0.00843
 15 O     0.00016    0.01102    0.00291
 16 O    -0.00016    0.01102    0.00291
 17 O    -0.00000    0.00578   -1.20927
 18 O    -0.00000    0.00350    0.03102
 19 Pt    0.00000   -0.01825    0.14136
 20 Pt    0.00000   -0.01911    0.26479
 21 O    -0.21855    0.41146    0.24774
 22 O     0.21855    0.41146    0.24774
 23 O     0.00000   -0.01551   -0.07470
 24 O     0.00000   -0.00072    1.15065
 25 Pt   -0.00000    0.01780   -0.37902
 26 Pt    0.00000   -0.00006   -0.43531
 27 O    -1.69152    0.01334   -0.71789
 28 O     1.69152    0.01334   -0.71789
 29 O    -0.00000    0.04377   -1.39103
 30 O     0.00000   -0.00442    1.83317
 31 Pt   -0.00000    0.01981    0.51135
 32 Pt    0.00000   -0.13556    0.58734
 33 O    -1.61371   -0.01936    0.07005
 34 O     1.61371   -0.01936    0.07005
 35 O     0.00000   -0.03255   -0.52673
 36 O    -0.00000    0.23455   -0.13089
 37 Pt    0.00000   -0.38103   -0.04660
 38 Pt    0.00000   -0.00349   -0.01249
 39 O     0.01140    0.01184    0.01572
 40 O    -0.01140    0.01184    0.01572
 41 O    -0.00000    0.01144    0.09896
 42 O    -0.00000    0.03921   -0.01793
 43 Pt    0.00000   -0.01232    0.12440
 44 Pt    0.00000   -0.10267   -0.04857
 45 O    -0.22422   -0.44123    0.27078
 46 O     0.22422   -0.44123    0.27078
 47 O     0.00000   -0.02515   -0.05890
 48 O    -0.00000    0.02234    1.17270
 49 Pt    0.00000   -0.02308   -0.37869
 50 Pt   -0.00000    0.02097   -0.43670
 51 O    -1.69099   -0.01392   -0.71791
 52 O     1.69099   -0.01392   -0.71791
 53 O     0.00000   -0.00906   -1.40602
 54 O     0.00000   -0.00178    1.77587
 55 Pt    0.00000   -0.01251    0.51681
 56 Pt   -0.00000    0.11617    0.65780
 57 O    -1.61441    0.01400    0.09016
 58 O     1.61441    0.01400    0.09016
 59 O     0.00000   -0.02118   -0.51763
 60 O     0.00000   -0.23434   -0.12347
 61 Pt   -0.00000    0.03913   -0.10241
 62 Pt   -0.00000    0.01652   -0.00578
 63 O    -0.01450   -0.00843    0.00318
 64 O     0.01450   -0.00843    0.00318
 65 O    -0.00000    0.00279   -0.00314
 66 O     0.00000   -0.01972   -0.00525
 67 Pt   -0.00000    0.00896    0.00634
 68 Pt   -0.00000    0.14049    0.02209
 69 O    -0.00328    0.00824   -0.03186
 70 O     0.00328    0.00824   -0.03186
 71 O    -0.00000    0.00994   -0.04679
 72 N    -0.00000    0.22099   -0.30327
 73 N     0.00000   -0.21302    0.43184

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.501292   24.466286    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.932180   25.407839    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:28:58  -2.33   +inf  -414.333504    3      1      
iter:   2  04:30:51  -3.08  -2.87  -414.989256    3      1      
iter:   3  04:32:45  -3.52  -2.17  -414.300476    3      1      
iter:   4  04:34:38  -4.10  -3.10  -414.300040    3      1      
iter:   5  04:36:32  -4.16  -3.50  -414.290651    3      1      
iter:   6  04:38:25  -4.17  -3.55  -414.290564    3      1      
iter:   7  04:40:17  -5.09  -3.87  -414.291918    2      1      
iter:   8  04:42:11  -5.27  -3.96  -414.291623    3      1      
iter:   9  04:44:04  -5.36  -4.05  -414.294239    3      1      
iter:  10  04:45:58  -5.16  -3.36  -414.295211    3      1      
iter:  11  04:47:51  -5.39  -3.52  -414.291426    3      1      
iter:  12  04:49:44  -5.65  -3.94  -414.292313    2      1      
iter:  13  04:51:37  -5.87  -4.10  -414.291946    2      1      
iter:  14  04:53:29  -6.47  -4.39  -414.291850    2      1      
iter:  15  04:55:22  -6.75  -4.60  -414.291753    2      1      
iter:  16  04:57:16  -6.67  -4.32  -414.291569    2      1      
iter:  17  04:59:04  -6.80  -4.70  -414.291777    2      1      
iter:  18  05:00:52  -7.38  -4.86  -414.291654    2      1      
iter:  19  05:02:40  -8.09  -5.15  -414.291690    2      1      

Converged after 19 iterations.

Dipole moment: (-55.963357, -32.494964, -0.002323) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.683731
Potential:     -137.672902
External:        +0.000000
XC:            -305.039974
Entropy (-ST):   -1.565093
Local:          +10.520001
--------------------------
Free energy:   -415.074237
Extrapolated:  -414.291690

Fermi level: -6.53647

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59680    0.14365
  0   340     -6.58989    0.14011
  0   341     -6.58943    0.13987
  0   342     -6.56381    0.12621

  1   339     -6.51059    0.19364
  1   340     -6.46233    0.14343
  1   341     -6.43214    0.11579
  1   342     -6.42275    0.10793



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17485
  1 Pt    0.00000   -0.00286   -0.37653
  2 Pt    0.00000   -0.01901   -0.43381
  3 O    -1.68318    0.00026   -0.71869
  4 O     1.68318    0.00026   -0.71869
  5 O     0.00000   -0.01179   -1.38735
  6 O     0.00000   -0.00288    1.76630
  7 Pt   -0.00000    0.01369    0.45093
  8 Pt    0.00000   -0.03959    0.75379
  9 O    -1.58072    0.00062    0.05104
 10 O     1.58072    0.00062    0.05104
 11 O     0.00000   -0.00884   -0.56736
 12 O    -0.00000    0.01648    0.13697
 13 Pt   -0.00000    0.32237   -0.03240
 14 Pt    0.00000   -0.02029    0.00785
 15 O     0.00006    0.01107    0.00274
 16 O    -0.00006    0.01107    0.00274
 17 O    -0.00000    0.00555   -1.20908
 18 O    -0.00000    0.00310    0.03045
 19 Pt    0.00000   -0.01824    0.14206
 20 Pt    0.00000   -0.01817    0.26647
 21 O    -0.21868    0.41144    0.24819
 22 O     0.21868    0.41144    0.24819
 23 O     0.00000   -0.01522   -0.07446
 24 O     0.00000   -0.00072    1.15067
 25 Pt   -0.00000    0.01780   -0.37928
 26 Pt    0.00000   -0.00005   -0.43529
 27 O    -1.69173    0.01333   -0.71802
 28 O     1.69173    0.01333   -0.71802
 29 O    -0.00000    0.04377   -1.39107
 30 O     0.00000   -0.00440    1.83291
 31 Pt   -0.00000    0.01980    0.51114
 32 Pt    0.00000   -0.13553    0.58711
 33 O    -1.61357   -0.01928    0.06993
 34 O     1.61357   -0.01928    0.06993
 35 O     0.00000   -0.03254   -0.52694
 36 O    -0.00000    0.23453   -0.13106
 37 Pt    0.00000   -0.37933   -0.04707
 38 Pt    0.00000   -0.00355   -0.01310
 39 O     0.01143    0.01163    0.01549
 40 O    -0.01143    0.01163    0.01549
 41 O    -0.00000    0.01116    0.09279
 42 O    -0.00000    0.03919   -0.01800
 43 Pt    0.00000   -0.01162    0.12760
 44 Pt    0.00000   -0.10300   -0.03872
 45 O    -0.22522   -0.43972    0.27279
 46 O     0.22522   -0.43972    0.27279
 47 O     0.00000   -0.02529   -0.05879
 48 O    -0.00000    0.02236    1.17269
 49 Pt    0.00000   -0.02307   -0.37894
 50 Pt   -0.00000    0.02098   -0.43681
 51 O    -1.69120   -0.01391   -0.71802
 52 O     1.69120   -0.01391   -0.71802
 53 O     0.00000   -0.00916   -1.40620
 54 O     0.00000   -0.00196    1.77555
 55 Pt    0.00000   -0.01251    0.51656
 56 Pt   -0.00000    0.11618    0.65792
 57 O    -1.61429    0.01393    0.09004
 58 O     1.61429    0.01393    0.09004
 59 O     0.00000   -0.02124   -0.51775
 60 O     0.00000   -0.23364   -0.12362
 61 Pt   -0.00000    0.03741   -0.10272
 62 Pt   -0.00000    0.01690   -0.00634
 63 O    -0.01444   -0.00828    0.00293
 64 O     0.01444   -0.00828    0.00293
 65 O    -0.00000    0.00293   -0.00309
 66 O     0.00000   -0.01928   -0.00575
 67 Pt   -0.00000    0.00814    0.00941
 68 Pt   -0.00000    0.14031    0.02301
 69 O    -0.00446    0.00681   -0.03044
 70 O     0.00446    0.00681   -0.03044
 71 O    -0.00000    0.00978   -0.04680
 72 N    -0.00000    0.37747   -0.47364
 73 N     0.00000   -0.30942    0.68357

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.488585   24.482187    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.906101   25.413588    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:07:29  -2.67   +inf  -414.309710    3      1      
iter:   2  05:09:22  -3.37  -3.06  -414.585158    3      1      
iter:   3  05:11:15  -3.79  -2.35  -414.292719    3      1      
iter:   4  05:13:09  -4.31  -3.33  -414.294423    3      1      
iter:   5  05:15:02  -4.42  -3.78  -414.290358    3      1      
iter:   6  05:16:55  -4.44  -3.65  -414.290714    3      1      
iter:   7  05:18:46  -5.29  -4.07  -414.291549    2      1      
iter:   8  05:20:40  -5.52  -4.19  -414.291187    3      1      
iter:   9  05:22:33  -5.57  -4.23  -414.292775    2      1      
iter:  10  05:24:27  -5.51  -3.58  -414.293148    2      1      
iter:  11  05:26:20  -5.81  -3.64  -414.291227    3      1      
iter:  12  05:28:13  -6.14  -4.29  -414.291560    2      1      
iter:  13  05:30:07  -6.40  -4.48  -414.291426    2      1      
iter:  14  05:31:58  -6.93  -4.75  -414.291409    2      1      
iter:  15  05:33:52  -6.99  -4.85  -414.291268    2      1      
iter:  16  05:35:44  -6.95  -4.56  -414.291240    2      1      
iter:  17  05:37:36  -7.64  -4.93  -414.291455    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963337, -32.494316, -0.005538) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.985545
Potential:     -137.922540
External:        +0.000000
XC:            -305.091698
Entropy (-ST):   -1.564895
Local:          +10.519685
--------------------------
Free energy:   -415.073902
Extrapolated:  -414.291455

Fermi level: -6.53893

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59931    0.14367
  0   340     -6.59260    0.14023
  0   341     -6.59203    0.13993
  0   342     -6.56622    0.12618

  1   339     -6.51300    0.19357
  1   340     -6.46498    0.14360
  1   341     -6.43462    0.11580
  1   342     -6.42528    0.10799



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17509
  1 Pt    0.00000   -0.00286   -0.37664
  2 Pt    0.00000   -0.01904   -0.43385
  3 O    -1.68247    0.00026   -0.71875
  4 O     1.68247    0.00026   -0.71875
  5 O     0.00000   -0.01176   -1.38769
  6 O     0.00000   -0.00287    1.76872
  7 Pt   -0.00000    0.01368    0.45184
  8 Pt    0.00000   -0.03969    0.75422
  9 O    -1.58040    0.00061    0.05113
 10 O     1.58040    0.00061    0.05113
 11 O     0.00000   -0.00884   -0.56678
 12 O    -0.00000    0.01609    0.13714
 13 Pt   -0.00000    0.32245   -0.03059
 14 Pt    0.00000   -0.02030    0.00948
 15 O    -0.00011    0.01110    0.00315
 16 O     0.00011    0.01110    0.00315
 17 O    -0.00000    0.00565   -1.20445
 18 O    -0.00000    0.00306    0.03035
 19 Pt    0.00000   -0.01824    0.14285
 20 Pt    0.00000   -0.01814    0.26664
 21 O    -0.21925    0.41196    0.24767
 22 O     0.21925    0.41196    0.24767
 23 O     0.00000   -0.01531   -0.07619
 24 O     0.00000   -0.00073    1.15092
 25 Pt   -0.00000    0.01781   -0.37939
 26 Pt    0.00000   -0.00006   -0.43529
 27 O    -1.69100    0.01331   -0.71808
 28 O     1.69100    0.01331   -0.71808
 29 O    -0.00000    0.04379   -1.39137
 30 O     0.00000   -0.00437    1.83544
 31 Pt   -0.00000    0.01978    0.51208
 32 Pt    0.00000   -0.13550    0.58740
 33 O    -1.61324   -0.01925    0.07005
 34 O     1.61324   -0.01925    0.07005
 35 O     0.00000   -0.03253   -0.52635
 36 O    -0.00000    0.23448   -0.13064
 37 Pt    0.00000   -0.37841   -0.04517
 38 Pt    0.00000   -0.00359   -0.01158
 39 O     0.01131    0.01161    0.01588
 40 O    -0.01131    0.01161    0.01588
 41 O    -0.00000    0.01098    0.09365
 42 O    -0.00000    0.03915   -0.01805
 43 Pt    0.00000   -0.01151    0.12884
 44 Pt    0.00000   -0.10295   -0.03666
 45 O    -0.22614   -0.43960    0.27290
 46 O     0.22614   -0.43960    0.27290
 47 O     0.00000   -0.02573   -0.06149
 48 O    -0.00000    0.02236    1.17293
 49 Pt    0.00000   -0.02308   -0.37903
 50 Pt   -0.00000    0.02101   -0.43685
 51 O    -1.69046   -0.01390   -0.71808
 52 O     1.69046   -0.01390   -0.71808
 53 O     0.00000   -0.00920   -1.40651
 54 O     0.00000   -0.00198    1.77799
 55 Pt    0.00000   -0.01250    0.51748
 56 Pt   -0.00000    0.11624    0.65833
 57 O    -1.61397    0.01392    0.09016
 58 O     1.61397    0.01392    0.09016
 59 O     0.00000   -0.02126   -0.51720
 60 O     0.00000   -0.23321   -0.12348
 61 Pt   -0.00000    0.03640   -0.10081
 62 Pt   -0.00000    0.01696   -0.00473
 63 O    -0.01453   -0.00829    0.00326
 64 O     0.01453   -0.00829    0.00326
 65 O    -0.00000    0.00287    0.00192
 66 O     0.00000   -0.01921   -0.00584
 67 Pt   -0.00000    0.00796    0.00997
 68 Pt   -0.00000    0.14049    0.02219
 69 O    -0.00546    0.00621   -0.03131
 70 O     0.00546    0.00621   -0.03131
 71 O    -0.00000    0.01029   -0.04907
 72 N    -0.00000    0.47866   -0.70484
 73 N     0.00000   -0.50401    0.79535

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.477207   24.496744    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.882951   25.427264    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:54:02  -2.67   +inf  -414.437272    4      1      
iter:   2  05:55:54  -2.71  -2.51  -418.204665    3      1      
iter:   3  05:57:46  -3.11  -1.83  -414.341262    3      1      
iter:   4  05:59:38  -3.61  -2.91  -414.301976    3      1      
iter:   5  06:01:30  -3.98  -3.51  -414.304229    3      1      
iter:   6  06:03:24  -4.31  -3.34  -414.296043    3      1      
iter:   7  06:05:17  -4.86  -3.77  -414.297379    3      1      
iter:   8  06:07:10  -5.00  -3.72  -414.296785    3      1      
iter:   9  06:09:02  -5.15  -3.99  -414.296540    3      1      
iter:  10  06:10:56  -5.54  -4.05  -414.296256    3      1      
iter:  11  06:12:49  -5.50  -4.26  -414.295656    3      1      
iter:  12  06:14:42  -5.86  -4.35  -414.296253    3      1      
iter:  13  06:16:33  -5.87  -4.20  -414.295337    2      1      
iter:  14  06:18:24  -6.53  -4.15  -414.295756    2      1      
iter:  15  06:20:15  -6.80  -4.58  -414.295738    2      1      
iter:  16  06:22:03  -6.68  -4.53  -414.295828    2      1      
iter:  17  06:23:50  -7.02  -4.60  -414.295812    2      1      
iter:  18  06:25:38  -7.12  -4.97  -414.295730    2      1      
iter:  19  06:27:25  -7.75  -5.04  -414.295873    2      1      

Converged after 19 iterations.

Dipole moment: (-55.963277, -32.494556, -0.005435) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.156611
Potential:     -137.278035
External:        +0.000000
XC:            -304.907174
Entropy (-ST):   -1.565022
Local:          +10.515235
--------------------------
Free energy:   -415.078384
Extrapolated:  -414.295873

Fermi level: -6.53917

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59990    0.14385
  0   340     -6.59263    0.14012
  0   341     -6.59224    0.13992
  0   342     -6.56658    0.12625

  1   339     -6.51317    0.19350
  1   340     -6.46506    0.14345
  1   341     -6.43492    0.11585
  1   342     -6.42565    0.10809



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17609
  1 Pt    0.00000   -0.00286   -0.37588
  2 Pt    0.00000   -0.01904   -0.43330
  3 O    -1.68339    0.00026   -0.71807
  4 O     1.68339    0.00026   -0.71807
  5 O     0.00000   -0.01169   -1.38740
  6 O     0.00000   -0.00282    1.76485
  7 Pt   -0.00000    0.01369    0.45098
  8 Pt    0.00000   -0.03969    0.75365
  9 O    -1.58062    0.00062    0.05115
 10 O     1.58062    0.00062    0.05115
 11 O     0.00000   -0.00880   -0.56716
 12 O    -0.00000    0.01575    0.13741
 13 Pt   -0.00000    0.32243   -0.03155
 14 Pt    0.00000   -0.02034    0.00891
 15 O     0.00006    0.01106    0.00325
 16 O    -0.00006    0.01106    0.00325
 17 O    -0.00000    0.00572   -1.20795
 18 O    -0.00000    0.00307    0.03076
 19 Pt    0.00000   -0.01863    0.13775
 20 Pt    0.00000   -0.01796    0.25899
 21 O    -0.21949    0.41175    0.24369
 22 O     0.21949    0.41175    0.24369
 23 O     0.00000   -0.01640   -0.07949
 24 O     0.00000   -0.00073    1.15192
 25 Pt   -0.00000    0.01779   -0.37858
 26 Pt    0.00000   -0.00005   -0.43471
 27 O    -1.69192    0.01331   -0.71739
 28 O     1.69192    0.01331   -0.71739
 29 O    -0.00000    0.04378   -1.39106
 30 O     0.00000   -0.00439    1.83153
 31 Pt   -0.00000    0.01977    0.51114
 32 Pt    0.00000   -0.13552    0.58666
 33 O    -1.61348   -0.01923    0.07006
 34 O     1.61348   -0.01923    0.07006
 35 O     0.00000   -0.03254   -0.52680
 36 O    -0.00000    0.23467   -0.13054
 37 Pt    0.00000   -0.37740   -0.04566
 38 Pt    0.00000   -0.00359   -0.01194
 39 O     0.01152    0.01157    0.01604
 40 O    -0.01152    0.01157    0.01604
 41 O    -0.00000    0.01067    0.08706
 42 O    -0.00000    0.03903   -0.01734
 43 Pt    0.00000   -0.01119    0.12314
 44 Pt    0.00000   -0.10255   -0.03640
 45 O    -0.22631   -0.43916    0.26750
 46 O     0.22631   -0.43916    0.26750
 47 O     0.00000   -0.02491   -0.06469
 48 O    -0.00000    0.02237    1.17393
 49 Pt    0.00000   -0.02306   -0.37823
 50 Pt   -0.00000    0.02101   -0.43630
 51 O    -1.69138   -0.01389   -0.71740
 52 O     1.69138   -0.01389   -0.71740
 53 O     0.00000   -0.00926   -1.40627
 54 O     0.00000   -0.00202    1.77409
 55 Pt    0.00000   -0.01249    0.51654
 56 Pt   -0.00000    0.11627    0.65776
 57 O    -1.61420    0.01388    0.09016
 58 O     1.61420    0.01388    0.09016
 59 O     0.00000   -0.02128   -0.51757
 60 O     0.00000   -0.23303   -0.12334
 61 Pt   -0.00000    0.03541   -0.10129
 62 Pt   -0.00000    0.01700   -0.00532
 63 O    -0.01437   -0.00821    0.00341
 64 O     0.01437   -0.00821    0.00341
 65 O    -0.00000    0.00291   -0.00179
 66 O     0.00000   -0.01913   -0.00533
 67 Pt   -0.00000    0.00801    0.00553
 68 Pt   -0.00000    0.13993    0.01523
 69 O    -0.00597    0.00602   -0.03547
 70 O     0.00597    0.00602   -0.03547
 71 O    -0.00000    0.01053   -0.05232
 72 N    -0.00000    0.02940   -0.04616
 73 N     0.00000   -0.04396    0.12721

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.460411   24.521379    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.853336   25.448666    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:31:38  -2.38   +inf  -414.304756    3      1      
iter:   2  06:33:32  -3.21  -3.03  -414.511551    4      1      
iter:   3  06:35:26  -3.67  -2.45  -414.323959    3      1      
iter:   4  06:37:20  -4.14  -2.98  -414.301093    3      1      
iter:   5  06:39:12  -3.79  -3.55  -414.296251    3      1      
iter:   6  06:41:05  -4.62  -3.51  -414.298142    3      1      
iter:   7  06:42:59  -5.26  -3.83  -414.297739    2      1      
iter:   8  06:44:52  -5.37  -4.16  -414.297714    3      1      
iter:   9  06:46:46  -5.06  -4.20  -414.298988    3      1      
iter:  10  06:48:39  -5.28  -3.78  -414.297396    2      1      
iter:  11  06:50:33  -5.90  -4.35  -414.297552    2      1      
iter:  12  06:52:26  -6.22  -4.43  -414.297219    2      1      
iter:  13  06:54:17  -6.30  -4.13  -414.297616    2      1      
iter:  14  06:56:11  -6.88  -4.66  -414.297581    2      1      
iter:  15  06:58:02  -7.06  -4.62  -414.297510    2      1      
iter:  16  06:59:53  -7.03  -4.87  -414.297605    2      1      
iter:  17  07:01:45  -7.28  -4.75  -414.297569    1      1      
iter:  18  07:03:33  -7.50  -5.16  -414.297653    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963333, -32.494538, -0.008090) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +17.360917
Potential:     -136.630316
External:        +0.000000
XC:            -304.755647
Entropy (-ST):   -1.565212
Local:          +10.509999
--------------------------
Free energy:   -415.080259
Extrapolated:  -414.297653

Fermi level: -6.54114

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60206    0.14394
  0   340     -6.59467    0.14016
  0   341     -6.59428    0.13996
  0   342     -6.56859    0.12626

  1   339     -6.51523    0.19359
  1   340     -6.46708    0.14350
  1   341     -6.43693    0.11589
  1   342     -6.42776    0.10820



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17542
  1 Pt    0.00000   -0.00286   -0.37621
  2 Pt    0.00000   -0.01902   -0.43334
  3 O    -1.68289    0.00026   -0.71843
  4 O     1.68289    0.00026   -0.71843
  5 O     0.00000   -0.01166   -1.38736
  6 O     0.00000   -0.00284    1.76758
  7 Pt   -0.00000    0.01369    0.45209
  8 Pt    0.00000   -0.03988    0.75509
  9 O    -1.58058    0.00062    0.05141
 10 O     1.58058    0.00062    0.05141
 11 O     0.00000   -0.00881   -0.56679
 12 O    -0.00000    0.01528    0.13730
 13 Pt   -0.00000    0.32237   -0.03186
 14 Pt    0.00000   -0.02033    0.00815
 15 O    -0.00002    0.01109    0.00300
 16 O     0.00002    0.01109    0.00300
 17 O    -0.00000    0.00579   -1.20623
 18 O    -0.00000    0.00289    0.03033
 19 Pt    0.00000   -0.01845    0.14079
 20 Pt    0.00000   -0.01785    0.26249
 21 O    -0.21951    0.41183    0.24533
 22 O     0.21951    0.41183    0.24533
 23 O     0.00000   -0.01623   -0.07882
 24 O     0.00000   -0.00072    1.15125
 25 Pt   -0.00000    0.01779   -0.37894
 26 Pt    0.00000   -0.00005   -0.43477
 27 O    -1.69143    0.01333   -0.71775
 28 O     1.69143    0.01333   -0.71775
 29 O    -0.00000    0.04378   -1.39103
 30 O     0.00000   -0.00440    1.83407
 31 Pt   -0.00000    0.01973    0.51225
 32 Pt    0.00000   -0.13552    0.58798
 33 O    -1.61339   -0.01924    0.07035
 34 O     1.61339   -0.01924    0.07035
 35 O     0.00000   -0.03254   -0.52636
 36 O    -0.00000    0.23448   -0.13024
 37 Pt    0.00000   -0.37595   -0.04587
 38 Pt    0.00000   -0.00358   -0.01265
 39 O     0.01143    0.01155    0.01572
 40 O    -0.01143    0.01155    0.01572
 41 O    -0.00000    0.01048    0.08261
 42 O    -0.00000    0.03913   -0.01779
 43 Pt    0.00000   -0.01087    0.12726
 44 Pt    0.00000   -0.10240   -0.03005
 45 O    -0.22670   -0.43829    0.26998
 46 O     0.22670   -0.43829    0.26998
 47 O     0.00000   -0.02498   -0.06431
 48 O    -0.00000    0.02235    1.17327
 49 Pt    0.00000   -0.02306   -0.37860
 50 Pt   -0.00000    0.02099   -0.43635
 51 O    -1.69090   -0.01391   -0.71776
 52 O     1.69090   -0.01391   -0.71776
 53 O     0.00000   -0.00929   -1.40621
 54 O     0.00000   -0.00199    1.77680
 55 Pt    0.00000   -0.01246    0.51765
 56 Pt   -0.00000    0.11646    0.65919
 57 O    -1.61412    0.01390    0.09045
 58 O     1.61412    0.01390    0.09045
 59 O     0.00000   -0.02127   -0.51718
 60 O     0.00000   -0.23238   -0.12332
 61 Pt   -0.00000    0.03400   -0.10129
 62 Pt   -0.00000    0.01699   -0.00606
 63 O    -0.01448   -0.00823    0.00312
 64 O     0.01448   -0.00823    0.00312
 65 O    -0.00000    0.00282   -0.00032
 66 O     0.00000   -0.01905   -0.00589
 67 Pt   -0.00000    0.00741    0.00971
 68 Pt   -0.00000    0.14002    0.01865
 69 O    -0.00664    0.00509   -0.03328
 70 O     0.00664    0.00509   -0.03328
 71 O    -0.00000    0.01048   -0.05155
 72 N     0.00000   -0.31394    0.46447
 73 N    -0.00000    0.25897   -0.35271

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.442652   24.546963    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.823164   25.468399    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:10:39  -2.38   +inf  -414.309888    3      1      
iter:   2  07:12:34  -3.20  -3.01  -414.641480    3      1      
iter:   3  07:14:28  -3.67  -2.33  -414.304214    2      1      
iter:   4  07:16:19  -3.92  -3.57  -414.295652    3      1      
iter:   5  07:18:13  -3.84  -3.30  -414.298685    3      1      
iter:   6  07:20:06  -4.77  -3.52  -414.298153    2      1      
iter:   7  07:22:00  -5.39  -4.11  -414.297849    2      1      
iter:   8  07:23:53  -5.40  -4.15  -414.297801    2      1      
iter:   9  07:25:47  -5.18  -4.23  -414.298410    3      1      
iter:  10  07:27:38  -5.73  -4.40  -414.297807    2      1      
iter:  11  07:29:32  -6.34  -4.55  -414.298357    2      1      
iter:  12  07:31:25  -6.53  -4.45  -414.298023    2      1      
iter:  13  07:33:18  -7.11  -4.66  -414.297952    2      1      
iter:  14  07:35:12  -7.13  -4.58  -414.298038    2      1      
iter:  15  07:37:05  -7.08  -5.00  -414.298017    2      1      
iter:  16  07:38:55  -7.55  -5.04  -414.298036    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963402, -32.494413, -0.011007) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +16.976507
Potential:     -136.317559
External:        +0.000000
XC:            -304.680616
Entropy (-ST):   -1.565365
Local:          +10.506315
--------------------------
Free energy:   -415.080718
Extrapolated:  -414.298036

Fermi level: -6.54366

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60500    0.14416
  0   340     -6.59708    0.14010
  0   341     -6.59679    0.13995
  0   342     -6.57127    0.12635

  1   339     -6.51769    0.19352
  1   340     -6.46947    0.14337
  1   341     -6.43957    0.11598
  1   342     -6.43047    0.10836



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17568
  1 Pt    0.00000   -0.00285   -0.37546
  2 Pt    0.00000   -0.01901   -0.43271
  3 O    -1.68333    0.00026   -0.71832
  4 O     1.68333    0.00026   -0.71832
  5 O     0.00000   -0.01170   -1.38733
  6 O     0.00000   -0.00298    1.76613
  7 Pt   -0.00000    0.01367    0.45096
  8 Pt    0.00000   -0.04008    0.75366
  9 O    -1.58075    0.00063    0.05104
 10 O     1.58075    0.00063    0.05104
 11 O     0.00000   -0.00884   -0.56750
 12 O    -0.00000    0.01511    0.13724
 13 Pt   -0.00000    0.32235   -0.03239
 14 Pt    0.00000   -0.02025    0.00866
 15 O     0.00011    0.01103    0.00323
 16 O    -0.00011    0.01103    0.00323
 17 O    -0.00000    0.00561   -1.20929
 18 O    -0.00000    0.00275    0.03060
 19 Pt    0.00000   -0.01863    0.13964
 20 Pt    0.00000   -0.01685    0.26320
 21 O    -0.21850    0.41142    0.24595
 22 O     0.21850    0.41142    0.24595
 23 O     0.00000   -0.01577   -0.07820
 24 O     0.00000   -0.00073    1.15150
 25 Pt   -0.00000    0.01783   -0.37826
 26 Pt    0.00000   -0.00006   -0.43416
 27 O    -1.69188    0.01334   -0.71766
 28 O     1.69188    0.01334   -0.71766
 29 O    -0.00000    0.04378   -1.39112
 30 O     0.00000   -0.00441    1.83256
 31 Pt   -0.00000    0.01980    0.51123
 32 Pt    0.00000   -0.13551    0.58652
 33 O    -1.61354   -0.01922    0.06999
 34 O     1.61354   -0.01922    0.06999
 35 O     0.00000   -0.03254   -0.52684
 36 O    -0.00000    0.23461   -0.13066
 37 Pt    0.00000   -0.37495   -0.04663
 38 Pt    0.00000   -0.00354   -0.01262
 39 O     0.01129    0.01161    0.01581
 40 O    -0.01129    0.01161    0.01581
 41 O    -0.00000    0.01024    0.07519
 42 O    -0.00000    0.03893   -0.01740
 43 Pt    0.00000   -0.01043    0.12832
 44 Pt    0.00000   -0.10274   -0.02237
 45 O    -0.22680   -0.43702    0.27183
 46 O     0.22680   -0.43702    0.27183
 47 O     0.00000   -0.02532   -0.06332
 48 O    -0.00000    0.02236    1.17352
 49 Pt    0.00000   -0.02312   -0.37792
 50 Pt   -0.00000    0.02098   -0.43571
 51 O    -1.69135   -0.01393   -0.71767
 52 O     1.69135   -0.01393   -0.71767
 53 O     0.00000   -0.00925   -1.40617
 54 O     0.00000   -0.00185    1.77541
 55 Pt    0.00000   -0.01250    0.51666
 56 Pt   -0.00000    0.11664    0.65777
 57 O    -1.61425    0.01387    0.09010
 58 O     1.61425    0.01387    0.09010
 59 O     0.00000   -0.02124   -0.51789
 60 O     0.00000   -0.23233   -0.12343
 61 Pt   -0.00000    0.03302   -0.10191
 62 Pt   -0.00000    0.01689   -0.00555
 63 O    -0.01465   -0.00823    0.00322
 64 O     0.01465   -0.00823    0.00322
 65 O    -0.00000    0.00297   -0.00323
 66 O     0.00000   -0.01871   -0.00553
 67 Pt   -0.00000    0.00707    0.01073
 68 Pt   -0.00000    0.13966    0.01913
 69 O    -0.00657    0.00418   -0.03170
 70 O     0.00657    0.00418   -0.03170
 71 O    -0.00000    0.01036   -0.05125
 72 N     0.00000   -0.43589    0.68678
 73 N    -0.00000    0.48808   -0.61538

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.425034   24.572618    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.793977   25.487432    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:46:09  -2.42   +inf  -414.311104    3      1      
iter:   2  07:48:02  -3.25  -3.11  -414.499643    3      1      
iter:   3  07:49:55  -3.72  -2.43  -414.301823    3      1      
iter:   4  07:51:47  -3.90  -3.50  -414.305950    3      1      
iter:   5  07:53:41  -3.90  -3.37  -414.295945    3      1      
iter:   6  07:55:34  -4.84  -3.72  -414.297951    3      1      
iter:   7  07:57:28  -5.26  -4.18  -414.298385    2      1      
iter:   8  07:59:21  -5.26  -4.18  -414.297978    2      1      
iter:   9  08:01:15  -5.40  -4.12  -414.299004    3      1      
iter:  10  08:03:07  -5.63  -3.66  -414.298135    2      1      
iter:  11  08:05:00  -6.44  -4.44  -414.297912    2      1      
iter:  12  08:06:54  -6.81  -4.65  -414.298132    2      1      
iter:  13  08:08:47  -7.12  -4.89  -414.298019    2      1      
iter:  14  08:10:41  -7.22  -4.89  -414.298053    2      1      
iter:  15  08:12:34  -7.18  -5.21  -414.298069    2      1      
iter:  16  08:14:24  -7.77  -5.07  -414.298093    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963411, -32.494158, -0.012922) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +16.761299
Potential:     -136.146021
External:        +0.000000
XC:            -304.636993
Entropy (-ST):   -1.565415
Local:          +10.506329
--------------------------
Free energy:   -415.080801
Extrapolated:  -414.298093

Fermi level: -6.54582

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60759    0.14438
  0   340     -6.59907    0.14001
  0   341     -6.59879    0.13987
  0   342     -6.57354    0.12641

  1   339     -6.51962    0.19327
  1   340     -6.47149    0.14324
  1   341     -6.44177    0.11602
  1   342     -6.43274    0.10845



Forces in eV/Ang:
  0 O     0.00000   -0.01772    1.17566
  1 Pt    0.00000   -0.00287   -0.37684
  2 Pt    0.00000   -0.01906   -0.43385
  3 O    -1.68475    0.00026   -0.71834
  4 O     1.68475    0.00026   -0.71834
  5 O     0.00000   -0.01154   -1.38678
  6 O     0.00000   -0.00282    1.76085
  7 Pt   -0.00000    0.01368    0.44969
  8 Pt    0.00000   -0.04007    0.75308
  9 O    -1.58072    0.00061    0.05084
 10 O     1.58072    0.00061    0.05084
 11 O     0.00000   -0.00877   -0.56755
 12 O    -0.00000    0.01418    0.13672
 13 Pt   -0.00000    0.32239   -0.03402
 14 Pt    0.00000   -0.02047    0.00744
 15 O     0.00020    0.01104    0.00272
 16 O    -0.00020    0.01104    0.00272
 17 O    -0.00000    0.00571   -1.21157
 18 O    -0.00000    0.00278    0.03066
 19 Pt    0.00000   -0.01856    0.14114
 20 Pt    0.00000   -0.01694    0.26597
 21 O    -0.21848    0.41137    0.24593
 22 O     0.21848    0.41137    0.24593
 23 O     0.00000   -0.01544   -0.07751
 24 O     0.00000   -0.00072    1.15151
 25 Pt   -0.00000    0.01778   -0.37949
 26 Pt    0.00000   -0.00005   -0.43513
 27 O    -1.69326    0.01331   -0.71767
 28 O     1.69326    0.01331   -0.71767
 29 O    -0.00000    0.04377   -1.39037
 30 O     0.00000   -0.00441    1.82761
 31 Pt   -0.00000    0.01973    0.50980
 32 Pt    0.00000   -0.13550    0.58550
 33 O    -1.61360   -0.01918    0.06980
 34 O     1.61360   -0.01918    0.06980
 35 O     0.00000   -0.03254   -0.52721
 36 O    -0.00000    0.23462   -0.13036
 37 Pt    0.00000   -0.37314   -0.04741
 38 Pt    0.00000   -0.00350   -0.01325
 39 O     0.01167    0.01156    0.01536
 40 O    -0.01167    0.01156    0.01536
 41 O    -0.00000    0.00997    0.06775
 42 O    -0.00000    0.03908   -0.01721
 43 Pt    0.00000   -0.00995    0.13101
 44 Pt    0.00000   -0.10264   -0.01635
 45 O    -0.22652   -0.43602    0.27303
 46 O     0.22652   -0.43602    0.27303
 47 O     0.00000   -0.02568   -0.06298
 48 O    -0.00000    0.02239    1.17351
 49 Pt    0.00000   -0.02304   -0.37914
 50 Pt   -0.00000    0.02103   -0.43686
 51 O    -1.69272   -0.01388   -0.71768
 52 O     1.69272   -0.01388   -0.71768
 53 O     0.00000   -0.00940   -1.40563
 54 O     0.00000   -0.00201    1.77010
 55 Pt    0.00000   -0.01245    0.51520
 56 Pt   -0.00000    0.11662    0.65717
 57 O    -1.61433    0.01384    0.08991
 58 O     1.61433    0.01384    0.08991
 59 O     0.00000   -0.02130   -0.51794
 60 O     0.00000   -0.23138   -0.12395
 61 Pt   -0.00000    0.03116   -0.10248
 62 Pt   -0.00000    0.01707   -0.00672
 63 O    -0.01432   -0.00819    0.00289
 64 O     0.01432   -0.00819    0.00289
 65 O    -0.00000    0.00290   -0.00625
 66 O     0.00000   -0.01890   -0.00554
 67 Pt   -0.00000    0.00648    0.01264
 68 Pt   -0.00000    0.13985    0.02000
 69 O    -0.00636    0.00341   -0.03165
 70 O     0.00636    0.00341   -0.03165
 71 O    -0.00000    0.01036   -0.05095
 72 N     0.00000   -0.53765    0.72661
 73 N    -0.00000    0.54405   -0.69505

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.406468   24.597363    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.764290   25.503815    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:23:03  -2.43   +inf  -414.444606    3      1      
iter:   2  08:24:56  -2.69  -2.52  -418.032626    3      1      
iter:   3  08:26:49  -3.10  -1.85  -414.318599    3      1      
iter:   4  08:28:42  -3.71  -2.99  -414.308071    3      1      
iter:   5  08:30:36  -4.04  -3.48  -414.298863    3      1      
iter:   6  08:32:29  -4.09  -3.37  -414.299259    3      1      
iter:   7  08:34:22  -4.75  -3.61  -414.299374    3      1      
iter:   8  08:36:14  -5.01  -3.82  -414.300085    3      1      
iter:   9  08:38:07  -5.38  -4.02  -414.300066    2      1      
iter:  10  08:40:01  -5.35  -4.31  -414.300742    3      1      
iter:  11  08:41:54  -5.49  -4.02  -414.299157    3      1      
iter:  12  08:43:48  -5.89  -4.07  -414.300160    2      1      
iter:  13  08:45:41  -6.55  -4.55  -414.299986    2      1      
iter:  14  08:47:32  -6.71  -4.76  -414.300061    2      1      
iter:  15  08:49:26  -7.00  -4.67  -414.300059    2      1      
iter:  16  08:51:19  -7.11  -4.27  -414.299968    2      1      
iter:  17  08:53:11  -7.16  -4.85  -414.299983    2      1      
iter:  18  08:54:59  -7.41  -4.90  -414.299907    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963460, -32.493866, -0.015938) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +16.814020
Potential:     -136.193982
External:        +0.000000
XC:            -304.644272
Entropy (-ST):   -1.565692
Local:          +10.507173
--------------------------
Free energy:   -415.082752
Extrapolated:  -414.299907

Fermi level: -6.54762

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60945    0.14441
  0   340     -6.60106    0.14011
  0   341     -6.60079    0.13997
  0   342     -6.57537    0.12643

  1   339     -6.52170    0.19357
  1   340     -6.47340    0.14334
  1   341     -6.44366    0.11610
  1   342     -6.43469    0.10857



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17527
  1 Pt    0.00000   -0.00286   -0.37577
  2 Pt    0.00000   -0.01904   -0.43295
  3 O    -1.68297    0.00026   -0.71858
  4 O     1.68297    0.00026   -0.71858
  5 O     0.00000   -0.01153   -1.38746
  6 O     0.00000   -0.00285    1.76719
  7 Pt   -0.00000    0.01373    0.45175
  8 Pt    0.00000   -0.04023    0.75454
  9 O    -1.58095    0.00062    0.05105
 10 O     1.58095    0.00062    0.05105
 11 O     0.00000   -0.00881   -0.56742
 12 O    -0.00000    0.01405    0.13670
 13 Pt   -0.00000    0.32240   -0.03378
 14 Pt    0.00000   -0.02035    0.00733
 15 O    -0.00062    0.01117    0.00271
 16 O     0.00062    0.01117    0.00271
 17 O    -0.00000    0.00575   -1.20856
 18 O    -0.00000    0.00256    0.03022
 19 Pt    0.00000   -0.01835    0.14229
 20 Pt    0.00000   -0.01666    0.26817
 21 O    -0.21885    0.41167    0.24687
 22 O     0.21885    0.41167    0.24687
 23 O     0.00000   -0.01523   -0.07650
 24 O     0.00000   -0.00073    1.15108
 25 Pt   -0.00000    0.01777   -0.37846
 26 Pt    0.00000   -0.00006   -0.43428
 27 O    -1.69150    0.01332   -0.71792
 28 O     1.69150    0.01332   -0.71792
 29 O    -0.00000    0.04377   -1.39109
 30 O     0.00000   -0.00436    1.83373
 31 Pt   -0.00000    0.01968    0.51194
 32 Pt    0.00000   -0.13547    0.58705
 33 O    -1.61373   -0.01919    0.07002
 34 O     1.61373   -0.01919    0.07002
 35 O     0.00000   -0.03254   -0.52697
 36 O    -0.00000    0.23456   -0.13039
 37 Pt    0.00000   -0.37229   -0.04736
 38 Pt    0.00000   -0.00353   -0.01340
 39 O     0.01074    0.01144    0.01534
 40 O    -0.01074    0.01144    0.01534
 41 O    -0.00000    0.00988    0.06609
 42 O    -0.00000    0.03937   -0.01776
 43 Pt    0.00000   -0.00986    0.13346
 44 Pt    0.00000   -0.10237   -0.00996
 45 O    -0.22744   -0.43560    0.27493
 46 O     0.22744   -0.43560    0.27493
 47 O     0.00000   -0.02548   -0.06202
 48 O    -0.00000    0.02237    1.17310
 49 Pt    0.00000   -0.02305   -0.37811
 50 Pt   -0.00000    0.02102   -0.43596
 51 O    -1.69097   -0.01390   -0.71793
 52 O     1.69097   -0.01390   -0.71793
 53 O     0.00000   -0.00941   -1.40629
 54 O     0.00000   -0.00204    1.77643
 55 Pt    0.00000   -0.01245    0.51730
 56 Pt   -0.00000    0.11676    0.65868
 57 O    -1.61449    0.01385    0.09014
 58 O     1.61449    0.01385    0.09014
 59 O     0.00000   -0.02128   -0.51788
 60 O     0.00000   -0.23118   -0.12393
 61 Pt   -0.00000    0.03028   -0.10242
 62 Pt   -0.00000    0.01700   -0.00674
 63 O    -0.01510   -0.00821    0.00280
 64 O     0.01510   -0.00821    0.00280
 65 O    -0.00000    0.00279   -0.00336
 66 O     0.00000   -0.01894   -0.00611
 67 Pt   -0.00000    0.00611    0.01520
 68 Pt   -0.00000    0.13957    0.02239
 69 O    -0.00744    0.00267   -0.02988
 70 O     0.00744    0.00267   -0.02988
 71 O    -0.00000    0.00997   -0.05027
 72 N     0.00000   -0.48572    0.71160
 73 N    -0.00000    0.44738   -0.65518

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.387377   24.621079    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.731736   25.515994    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:00:04  -2.40   +inf  -414.343133    3      1      
iter:   2  09:01:58  -3.07  -2.87  -414.922731    3      1      
iter:   3  09:03:51  -3.46  -2.20  -414.314053    3      1      
iter:   4  09:05:44  -3.96  -2.98  -414.306627    3      1      
iter:   5  09:07:37  -4.21  -3.56  -414.299860    3      1      
iter:   6  09:09:31  -4.10  -3.57  -414.298777    3      1      
iter:   7  09:11:24  -5.03  -3.84  -414.299999    2      1      
iter:   8  09:13:16  -5.21  -4.13  -414.300083    3      1      
iter:   9  09:15:09  -5.05  -4.16  -414.300344    3      1      
iter:  10  09:17:03  -5.35  -3.80  -414.306381    2      1      
iter:  11  09:18:56  -5.27  -3.22  -414.299714    3      1      
iter:  12  09:20:49  -5.90  -4.25  -414.300678    2      1      
iter:  13  09:22:43  -6.30  -4.27  -414.300130    2      1      
iter:  14  09:24:34  -6.70  -4.56  -414.300188    2      1      
iter:  15  09:26:26  -6.71  -4.65  -414.300089    2      1      
iter:  16  09:28:17  -6.68  -4.71  -414.300166    2      1      
iter:  17  09:30:04  -6.94  -4.08  -414.300127    2      1      
iter:  18  09:31:52  -7.22  -4.85  -414.299973    2      1      
iter:  19  09:33:39  -7.46  -4.82  -414.300144    2      1      

Converged after 19 iterations.

Dipole moment: (-55.963462, -32.493439, -0.019449) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +17.077281
Potential:     -136.417673
External:        +0.000000
XC:            -304.688024
Entropy (-ST):   -1.565477
Local:          +10.511011
--------------------------
Free energy:   -415.082883
Extrapolated:  -414.300144

Fermi level: -6.55033

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61218    0.14442
  0   340     -6.60397    0.14022
  0   341     -6.60366    0.14006
  0   342     -6.57802    0.12640

  1   339     -6.52435    0.19351
  1   340     -6.47628    0.14351
  1   341     -6.44639    0.11612
  1   342     -6.43745    0.10861



Forces in eV/Ang:
  0 O     0.00000   -0.01771    1.17553
  1 Pt    0.00000   -0.00285   -0.37608
  2 Pt    0.00000   -0.01905   -0.43302
  3 O    -1.68251    0.00027   -0.71856
  4 O     1.68251    0.00027   -0.71856
  5 O     0.00000   -0.01153   -1.38780
  6 O     0.00000   -0.00287    1.76914
  7 Pt   -0.00000    0.01371    0.45266
  8 Pt    0.00000   -0.04034    0.75543
  9 O    -1.58069    0.00063    0.05142
 10 O     1.58069    0.00063    0.05142
 11 O     0.00000   -0.00881   -0.56678
 12 O    -0.00000    0.01389    0.13692
 13 Pt   -0.00000    0.32232   -0.03244
 14 Pt    0.00000   -0.02030    0.00868
 15 O    -0.00054    0.01113    0.00320
 16 O     0.00054    0.01113    0.00320
 17 O    -0.00000    0.00583   -1.20470
 18 O    -0.00000    0.00243    0.03006
 19 Pt    0.00000   -0.01840    0.14214
 20 Pt    0.00000   -0.01731    0.26291
 21 O    -0.21942    0.41204    0.24651
 22 O     0.21942    0.41204    0.24651
 23 O     0.00000   -0.01596   -0.07986
 24 O     0.00000   -0.00073    1.15135
 25 Pt   -0.00000    0.01777   -0.37880
 26 Pt    0.00000   -0.00006   -0.43433
 27 O    -1.69103    0.01332   -0.71792
 28 O     1.69103    0.01332   -0.71792
 29 O    -0.00000    0.04378   -1.39147
 30 O     0.00000   -0.00436    1.83573
 31 Pt   -0.00000    0.01971    0.51292
 32 Pt    0.00000   -0.13548    0.58792
 33 O    -1.61344   -0.01919    0.07039
 34 O     1.61344   -0.01919    0.07039
 35 O     0.00000   -0.03252   -0.52618
 36 O    -0.00000    0.23450   -0.13015
 37 Pt    0.00000   -0.37144   -0.04620
 38 Pt    0.00000   -0.00355   -0.01233
 39 O     0.01076    0.01150    0.01579
 40 O    -0.01076    0.01150    0.01579
 41 O    -0.00000    0.00968    0.06621
 42 O    -0.00000    0.03919   -0.01778
 43 Pt    0.00000   -0.00960    0.13230
 44 Pt    0.00000   -0.10119   -0.01266
 45 O    -0.22821   -0.43543    0.27387
 46 O     0.22821   -0.43543    0.27387
 47 O     0.00000   -0.02480   -0.06583
 48 O    -0.00000    0.02238    1.17337
 49 Pt    0.00000   -0.02305   -0.37845
 50 Pt   -0.00000    0.02102   -0.43601
 51 O    -1.69049   -0.01390   -0.71792
 52 O     1.69049   -0.01390   -0.71792
 53 O     0.00000   -0.00941   -1.40664
 54 O     0.00000   -0.00199    1.77840
 55 Pt    0.00000   -0.01246    0.51830
 56 Pt   -0.00000    0.11687    0.65955
 57 O    -1.61418    0.01385    0.09050
 58 O     1.61418    0.01385    0.09050
 59 O     0.00000   -0.02129   -0.51717
 60 O     0.00000   -0.23097   -0.12369
 61 Pt   -0.00000    0.02950   -0.10115
 62 Pt   -0.00000    0.01697   -0.00550
 63 O    -0.01513   -0.00823    0.00317
 64 O     0.01513   -0.00823    0.00317
 65 O    -0.00000    0.00278    0.00120
 66 O     0.00000   -0.01866   -0.00618
 67 Pt   -0.00000    0.00580    0.01600
 68 Pt   -0.00000    0.13947    0.02048
 69 O    -0.00876    0.00210   -0.02992
 70 O     0.00876    0.00210   -0.02992
 71 O    -0.00000    0.01011   -0.05280
 72 N     0.00000   -0.25468    0.50438
 73 N    -0.00000    0.33983   -0.49555

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.376394   24.630922    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.708019   25.512872    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:37:50  -2.82   +inf  -414.313926    3      1      
iter:   2  09:39:43  -3.49  -3.17  -414.433845    3      1      
iter:   3  09:41:36  -3.89  -2.54  -414.300908    3      1      
iter:   4  09:43:30  -4.31  -3.37  -414.304193    3      1      
iter:   5  09:45:23  -4.38  -3.90  -414.301724    3      1      
iter:   6  09:47:17  -4.53  -3.64  -414.302110    3      1      
iter:   7  09:49:10  -5.09  -3.90  -414.301967    2      1      
iter:   8  09:51:01  -5.43  -4.19  -414.302449    3      1      
iter:   9  09:52:55  -5.49  -3.76  -414.302069    3      1      
iter:  10  09:54:48  -6.05  -4.25  -414.301912    2      1      
iter:  11  09:56:41  -6.21  -4.42  -414.302507    2      1      
iter:  12  09:58:35  -6.75  -4.39  -414.302007    2      1      
iter:  13  10:00:26  -6.81  -4.66  -414.302004    2      1      
iter:  14  10:02:18  -6.77  -4.61  -414.301958    2      1      
iter:  15  10:04:08  -7.13  -4.42  -414.301985    2      1      
iter:  16  10:06:00  -7.47  -4.79  -414.302054    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963504, -32.493001, -0.019542) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +17.416320
Potential:     -136.677696
External:        +0.000000
XC:            -304.769442
Entropy (-ST):   -1.565588
Local:          +10.511558
--------------------------
Free energy:   -415.084848
Extrapolated:  -414.302054

Fermi level: -6.55082

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61287    0.14452
  0   340     -6.60433    0.14015
  0   341     -6.60406    0.14001
  0   342     -6.57857    0.12643

  1   339     -6.52473    0.19340
  1   340     -6.47667    0.14341
  1   341     -6.44690    0.11614
  1   342     -6.43798    0.10865



Forces in eV/Ang:
  0 O     0.00000   -0.01773    1.17504
  1 Pt    0.00000   -0.00286   -0.37683
  2 Pt    0.00000   -0.01910   -0.43396
  3 O    -1.68294    0.00024   -0.71875
  4 O     1.68294    0.00024   -0.71875
  5 O     0.00000   -0.01148   -1.38720
  6 O     0.00000   -0.00282    1.76703
  7 Pt   -0.00000    0.01370    0.45163
  8 Pt    0.00000   -0.04031    0.75454
  9 O    -1.58065    0.00064    0.05116
 10 O     1.58065    0.00064    0.05116
 11 O     0.00000   -0.00876   -0.56704
 12 O    -0.00000    0.01360    0.13668
 13 Pt   -0.00000    0.32251   -0.03330
 14 Pt    0.00000   -0.02037    0.00799
 15 O    -0.00039    0.01112    0.00280
 16 O     0.00039    0.01112    0.00280
 17 O    -0.00000    0.00591   -1.20659
 18 O    -0.00000    0.00237    0.02983
 19 Pt    0.00000   -0.01848    0.14550
 20 Pt    0.00000   -0.01711    0.27180
 21 O    -0.21883    0.41179    0.24831
 22 O     0.21883    0.41179    0.24831
 23 O     0.00000   -0.01481   -0.07680
 24 O     0.00000   -0.00071    1.15086
 25 Pt   -0.00000    0.01777   -0.37948
 26 Pt    0.00000   -0.00003   -0.43522
 27 O    -1.69141    0.01330   -0.71809
 28 O     1.69141    0.01330   -0.71809
 29 O    -0.00000    0.04377   -1.39078
 30 O     0.00000   -0.00440    1.83376
 31 Pt   -0.00000    0.01970    0.51193
 32 Pt    0.00000   -0.13551    0.58691
 33 O    -1.61348   -0.01917    0.07020
 34 O     1.61348   -0.01917    0.07020
 35 O     0.00000   -0.03255   -0.52652
 36 O    -0.00000    0.23448   -0.13005
 37 Pt    0.00000   -0.37071   -0.04683
 38 Pt    0.00000   -0.00352   -0.01285
 39 O     0.01107    0.01153    0.01531
 40 O    -0.01107    0.01153    0.01531
 41 O    -0.00000    0.00955    0.06270
 42 O    -0.00000    0.03913   -0.01802
 43 Pt    0.00000   -0.00938    0.13779
 44 Pt    0.00000   -0.10201   -0.00197
 45 O    -0.22782   -0.43472    0.27770
 46 O     0.22782   -0.43472    0.27770
 47 O     0.00000   -0.02623   -0.06280
 48 O    -0.00000    0.02238    1.17288
 49 Pt    0.00000   -0.02304   -0.37915
 50 Pt   -0.00000    0.02105   -0.43701
 51 O    -1.69090   -0.01387   -0.71809
 52 O     1.69090   -0.01387   -0.71809
 53 O     0.00000   -0.00945   -1.40605
 54 O     0.00000   -0.00201    1.77615
 55 Pt    0.00000   -0.01244    0.51727
 56 Pt   -0.00000    0.11687    0.65864
 57 O    -1.61419    0.01381    0.09029
 58 O     1.61419    0.01381    0.09029
 59 O     0.00000   -0.02131   -0.51742
 60 O     0.00000   -0.23063   -0.12398
 61 Pt   -0.00000    0.02858   -0.10167
 62 Pt   -0.00000    0.01701   -0.00619
 63 O    -0.01488   -0.00825    0.00279
 64 O     0.01488   -0.00825    0.00279
 65 O    -0.00000    0.00274   -0.00087
 66 O     0.00000   -0.01852   -0.00639
 67 Pt   -0.00000    0.00568    0.01954
 68 Pt   -0.00000    0.14013    0.02580
 69 O    -0.00781    0.00173   -0.02812
 70 O     0.00781    0.00173   -0.02812
 71 O    -0.00000    0.01028   -0.05075
 72 N     0.00000   -0.19715    0.27606
 73 N    -0.00000    0.13773   -0.16701

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.359713   24.639514    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.671726   25.500181    ( 0.0000,  0.0000,  0.0000)

Unit cell:
           periodic     x           y           z      points  spacing
  1. axis:    yes    6.503596    0.000000    0.000000    36     0.1807
  2. axis:    yes   -0.000000    9.816217    0.000000    56     0.1753
  3. axis:    no     0.000000    0.000000   33.007191   184     0.1794

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

Effective grid spacing dv^(1/3) = 0.1784

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:15:15  -2.47   +inf  -414.354491    4      1      
iter:   2  10:17:06  -3.00  -2.81  -415.197103    4      1      
iter:   3  10:19:00  -3.35  -2.13  -414.315437    3      1      
iter:   4  10:20:53  -3.84  -2.98  -414.308116    3      1      
iter:   5  10:22:47  -4.31  -3.56  -414.303681    3      1      
iter:   6  10:24:40  -4.19  -3.62  -414.300330    3      1      
iter:   7  10:26:34  -4.84  -3.69  -414.301651    2      1      
iter:   8  10:28:25  -4.61  -3.85  -414.301914    3      1      
iter:   9  10:30:19  -4.97  -4.15  -414.301793    3      1      
iter:  10  10:32:12  -5.25  -3.82  -414.303297    2      1      
iter:  11  10:34:06  -5.70  -3.77  -414.300779    3      1      
iter:  12  10:35:57  -5.86  -3.88  -414.302151    2      1      
iter:  13  10:37:51  -5.98  -4.20  -414.301791    3      1      
iter:  14  10:39:44  -6.26  -4.39  -414.301625    2      1      
iter:  15  10:41:36  -6.52  -4.56  -414.301560    2      1      
iter:  16  10:43:29  -6.57  -4.60  -414.301415    2      1      
iter:  17  10:45:20  -6.65  -4.41  -414.301960    2      1      
iter:  18  10:47:08  -6.65  -4.58  -414.301326    2      1      
iter:  19  10:48:55  -7.06  -4.61  -414.301618    2      1      
iter:  20  10:50:42  -7.25  -5.12  -414.301622    2      1      
iter:  21  10:52:29  -7.85  -5.19  -414.301626    2      1      

Converged after 21 iterations.

Dipole moment: (-55.963491, -32.492252, -0.020072) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12110383.864724)

Kinetic:        +18.229298
Potential:     -137.332356
External:        +0.000000
XC:            -304.927204
Entropy (-ST):   -1.565619
Local:          +10.511445
--------------------------
Free energy:   -415.084435
Extrapolated:  -414.301626

Fermi level: -6.55118

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61339    0.14460
  0   340     -6.60467    0.14014
  0   341     -6.60439    0.14000
  0   342     -6.57896    0.12645

  1   339     -6.52509    0.19340
  1   340     -6.47700    0.14338
  1   341     -6.44729    0.11616
  1   342     -6.43839    0.10869


