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

User:   hao@node063.cluster
Date:   Wed Jan 19 04:12:49 2022
Arch:   x86_64
Pid:    32377
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: 124.71 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                     
                     Pt            
          O Pt   N     O           
             O  N                  
        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    2.385084   24.198732    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.663552   23.243921    ( 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  04:15:40  +0.87   +inf  -535.969837    4      1      
iter:   2  04:17:47  -0.13  -1.04  -493.927873    37     1      
iter:   3  04:19:53  +0.02  -1.12  -609.156301    3      1      
iter:   4  04:21:59  -0.15  -1.03  -443.421824    36     1      
iter:   5  04:24:05  -0.64  -1.34  -418.465401    35     1      
iter:   6  04:26:11  -1.29  -1.47  -419.768002    3      1      
iter:   7  04:28:17  -1.89  -1.48  -418.097760    4      1      
iter:   8  04:30:23  -1.96  -1.50  -416.878777    3      1      
iter:   9  04:32:29  -1.73  -1.52  -424.467120    35     1      
iter:  10  04:34:38  -1.88  -1.54  -415.968242    4      1      
iter:  11  04:36:46  -1.78  -1.63  -417.442730    36     1      
iter:  12  04:38:55  -1.71  -1.79  -416.020986    36     1      
iter:  13  04:41:04  -1.97  -1.79  -414.515090    36     1      
iter:  14  04:43:12  -2.14  -2.00  -413.982263    4      1      
iter:  15  04:45:21  -2.55  -2.16  -414.020901    3      1      
iter:  16  04:47:29  -2.56  -2.20  -414.192045    3      1      
iter:  17  04:49:38  -2.65  -2.20  -413.963104    3      1      
iter:  18  04:51:46  -2.88  -2.34  -413.825382    3      1      
iter:  19  04:53:55  -3.37  -2.57  -413.798458    3      1      
iter:  20  04:56:04  -3.33  -2.55  -413.855047    3      1      
iter:  21  04:58:12  -3.87  -2.49  -413.789711    3      1      
iter:  22  05:00:20  -3.55  -2.63  -413.771040    3      1      
iter:  23  05:02:29  -3.65  -2.93  -413.772266    3      1      
iter:  24  05:04:38  -4.01  -2.98  -413.763526    3      1      
iter:  25  05:06:46  -4.42  -3.22  -413.759259    3      1      
iter:  26  05:08:54  -4.70  -3.24  -413.763608    2      1      
iter:  27  05:11:02  -4.66  -3.22  -413.757384    3      1      
iter:  28  05:13:10  -5.04  -3.47  -413.758848    3      1      
iter:  29  05:15:19  -5.12  -3.71  -413.758807    2      1      
iter:  30  05:17:28  -5.39  -3.87  -413.759501    3      1      
iter:  31  05:19:37  -5.88  -3.91  -413.759277    2      1      
iter:  32  05:21:45  -6.12  -4.01  -413.759274    2      1      
iter:  33  05:23:54  -6.41  -4.03  -413.759440    2      1      
iter:  34  05:26:02  -6.38  -4.08  -413.758993    2      1      
iter:  35  05:28:05  -6.49  -4.25  -413.759117    2      1      
iter:  36  05:30:07  -6.61  -4.38  -413.759093    2      1      
iter:  37  05:32:13  -6.64  -4.49  -413.759263    2      1      
iter:  38  05:34:21  -7.30  -4.57  -413.759267    2      1      
iter:  39  05:36:29  -7.43  -4.66  -413.759253    2      1      

Converged after 39 iterations.

Dipole moment: (-55.961309, -32.912879, 0.206351) |e|*Ang

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

Kinetic:         +7.822265
Potential:     -127.618031
External:        +0.000000
XC:            -303.724321
Entropy (-ST):   -1.558994
Local:          +10.540331
--------------------------
Free energy:   -414.538750
Extrapolated:  -413.759253

Fermi level: -6.36252

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.44402    0.15404
  0   340     -6.41840    0.14137
  0   341     -6.41660    0.14045
  0   342     -6.38033    0.12098

  1   339     -6.33942    0.19667
  1   340     -6.29000    0.14500
  1   341     -6.24877    0.10790
  1   342     -6.24769    0.10702



Forces in eV/Ang:
  0 O     0.00000   -0.01619    1.17151
  1 Pt   -0.00000    0.00849   -0.38128
  2 Pt    0.00000   -0.01910   -0.43432
  3 O    -1.68045   -0.00012   -0.71739
  4 O     1.68045   -0.00012   -0.71739
  5 O     0.00000   -0.01267   -1.40969
  6 O     0.00000   -0.00276    1.77000
  7 Pt   -0.00000    0.01314    0.45265
  8 Pt    0.00000   -0.03637    0.79737
  9 O    -1.58038    0.00085    0.04892
 10 O     1.58038    0.00085    0.04892
 11 O     0.00000   -0.00875   -0.55754
 12 O    -0.00000    0.02021    0.03672
 13 Pt   -0.00000    0.08388    0.00713
 14 Pt    0.00000   -0.02484    0.00715
 15 O     0.00023    0.01022    0.00193
 16 O    -0.00023    0.01022    0.00193
 17 O    -0.00000    0.16923   -0.33271
 18 O     0.00000   -0.00153    0.01264
 19 Pt    0.00000   -0.03390   -0.00702
 20 Pt    0.00000   -0.38964    0.20009
 21 O    -0.04196    0.06378   -0.02567
 22 O     0.04196    0.06378   -0.02567
 23 O     0.00000   -0.02155   -0.04413
 24 O     0.00000    0.00001    1.14953
 25 Pt   -0.00000    0.00544   -0.38390
 26 Pt    0.00000    0.00004   -0.43353
 27 O    -1.68912    0.01366   -0.71676
 28 O     1.68912    0.01366   -0.71676
 29 O    -0.00000    0.05512   -1.38105
 30 O     0.00000   -0.00499    1.83258
 31 Pt   -0.00000    0.02071    0.51321
 32 Pt    0.00000   -0.17731    0.54396
 33 O    -1.61272   -0.02025    0.06678
 34 O     1.61272   -0.02025    0.06678
 35 O     0.00000   -0.03277   -0.51875
 36 O    -0.00000    0.06677   -0.04643
 37 Pt    0.00000   -0.14860   -0.00082
 38 Pt    0.00000   -0.00393   -0.00901
 39 O     0.00667    0.01379    0.01320
 40 O    -0.00667    0.01379    0.01320
 41 O     0.00000    0.00428    0.00753
 42 O    -0.00000    0.01825   -0.01165
 43 Pt    0.00000   -0.00156    0.02095
 44 Pt    0.00000   -0.02930    0.01127
 45 O    -0.05171   -0.08057    0.01898
 46 O     0.05171   -0.08057    0.01898
 47 O     0.00000   -0.02533   -0.03116
 48 O    -0.00000    0.02072    1.17156
 49 Pt    0.00000   -0.02185   -0.38595
 50 Pt   -0.00000    0.02094   -0.43474
 51 O    -1.68753   -0.01398   -0.71750
 52 O     1.68753   -0.01398   -0.71750
 53 O     0.00000   -0.02196   -1.40283
 54 O     0.00000   -0.00143    1.77506
 55 Pt    0.00000   -0.01207    0.51626
 56 Pt   -0.00000    0.15837    0.62838
 57 O    -1.61307    0.01334    0.09717
 58 O     1.61307    0.01334    0.09717
 59 O     0.00000   -0.02112   -0.51070
 60 O     0.00000   -0.07811   -0.05729
 61 Pt   -0.00000    0.01394   -0.01347
 62 Pt   -0.00000    0.02076   -0.00192
 63 O    -0.00254   -0.00824    0.00346
 64 O     0.00254   -0.00824    0.00346
 65 O     0.00000   -0.01124    0.00633
 66 O     0.00000    0.00481    0.00109
 67 Pt   -0.00000    0.00993    0.01227
 68 Pt   -0.00000    0.10690   -0.02255
 69 O    -0.00480   -0.00692   -0.00666
 70 O     0.00480   -0.00692   -0.00666
 71 O    -0.00000    0.00684   -0.02352
 72 N     0.00000   -5.26512   -6.57674
 73 N    -0.00000    5.54929    6.82840

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                     Pt            
          O Pt   N     O           
             O  N                  
        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    2.352608   24.175379    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.681298   23.271018    ( 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  05:49:35  -1.85   +inf  -421.313039    36     1      
iter:   2  05:51:42  -1.12  -1.73  -506.096288    37     1      
iter:   3  05:53:49  -1.53  -1.20  -417.754645    34     1      
iter:   4  05:55:57  -2.19  -1.86  -415.495109    33     1      
iter:   5  05:58:05  -2.74  -2.17  -414.629123    4      1      
iter:   6  06:00:14  -3.13  -2.52  -414.541794    3      1      
iter:   7  06:02:22  -2.76  -2.54  -414.339671    3      1      
iter:   8  06:04:31  -3.31  -2.68  -414.415401    3      1      
iter:   9  06:06:39  -3.19  -2.48  -414.234693    3      1      
iter:  10  06:08:47  -3.26  -3.05  -414.204858    3      1      
iter:  11  06:10:55  -3.48  -3.20  -414.184525    3      1      
iter:  12  06:13:04  -3.77  -3.18  -414.187110    2      1      
iter:  13  06:15:13  -4.13  -3.20  -414.180069    3      1      
iter:  14  06:17:21  -4.20  -3.37  -414.177991    3      1      
iter:  15  06:19:30  -4.32  -3.35  -414.176827    3      1      
iter:  16  06:21:38  -4.38  -3.28  -414.176832    3      1      
iter:  17  06:23:47  -4.69  -3.46  -414.174680    3      1      
iter:  18  06:25:45  -5.00  -3.82  -414.175133    3      1      
iter:  19  06:27:42  -5.56  -3.72  -414.173657    3      1      
iter:  20  06:29:40  -5.77  -3.92  -414.174413    2      1      
iter:  21  06:31:37  -5.85  -4.23  -414.174190    3      1      
iter:  22  06:33:34  -6.09  -4.06  -414.174315    2      1      
iter:  23  06:35:31  -6.53  -4.47  -414.174330    2      1      
iter:  24  06:37:29  -6.69  -4.52  -414.174315    2      1      
iter:  25  06:39:26  -6.77  -4.45  -414.174579    2      1      
iter:  26  06:41:23  -6.88  -4.53  -414.174189    2      1      
iter:  27  06:43:20  -7.22  -4.71  -414.174334    2      1      
iter:  28  06:45:18  -7.35  -4.67  -414.174281    2      1      
iter:  29  06:47:15  -7.72  -4.94  -414.174296    2      1      

Converged after 29 iterations.

Dipole moment: (-55.961098, -32.958407, 0.248244) |e|*Ang

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

Kinetic:        +16.936540
Potential:     -135.118450
External:        +0.000000
XC:            -305.751766
Entropy (-ST):   -1.553635
Local:          +10.536197
--------------------------
Free energy:   -414.951114
Extrapolated:  -414.174296

Fermi level: -6.32730

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.40958    0.15441
  0   340     -6.38308    0.14132
  0   341     -6.38127    0.14039
  0   342     -6.34588    0.12140

  1   339     -6.30468    0.19719
  1   340     -6.25468    0.14491
  1   341     -6.21389    0.10818
  1   342     -6.21315    0.10757



Forces in eV/Ang:
  0 O     0.00000   -0.01657    1.17320
  1 Pt   -0.00000    0.00848   -0.37991
  2 Pt    0.00000   -0.01911   -0.43588
  3 O    -1.68262   -0.00014   -0.71917
  4 O     1.68262   -0.00014   -0.71917
  5 O     0.00000   -0.01230   -1.40858
  6 O     0.00000   -0.00276    1.77282
  7 Pt   -0.00000    0.01326    0.45130
  8 Pt    0.00000   -0.03754    0.79675
  9 O    -1.58078    0.00088    0.04948
 10 O     1.58078    0.00088    0.04948
 11 O     0.00000   -0.00871   -0.55849
 12 O    -0.00000    0.01767    0.03925
 13 Pt   -0.00000    0.06368    0.00551
 14 Pt    0.00000   -0.02373    0.00459
 15 O    -0.00056    0.00997    0.00159
 16 O     0.00056    0.00997    0.00159
 17 O    -0.00000    0.14728   -0.28302
 18 O     0.00000   -0.00114    0.01306
 19 Pt    0.00000   -0.03985   -0.01719
 20 Pt    0.00000   -0.39788    0.00690
 21 O    -0.05267    0.08482    0.00478
 22 O     0.05267    0.08482    0.00478
 23 O     0.00000   -0.01925   -0.01665
 24 O     0.00000    0.00004    1.15118
 25 Pt   -0.00000    0.00583   -0.38256
 26 Pt    0.00000   -0.00001   -0.43455
 27 O    -1.69126    0.01371   -0.71857
 28 O     1.69126    0.01371   -0.71857
 29 O    -0.00000    0.05566   -1.38121
 30 O     0.00000   -0.00502    1.83508
 31 Pt   -0.00000    0.02038    0.51182
 32 Pt    0.00000   -0.17850    0.54446
 33 O    -1.61322   -0.02005    0.06761
 34 O     1.61322   -0.02005    0.06761
 35 O     0.00000   -0.03271   -0.52007
 36 O    -0.00000    0.06666   -0.05001
 37 Pt    0.00000   -0.12620   -0.00264
 38 Pt    0.00000   -0.00418   -0.01015
 39 O     0.00711    0.01363    0.01345
 40 O    -0.00711    0.01363    0.01345
 41 O     0.00000    0.00399   -0.00188
 42 O    -0.00000    0.01771   -0.01063
 43 Pt   -0.00000    0.00645    0.00531
 44 Pt    0.00000   -0.01302    0.00539
 45 O    -0.06281   -0.10172    0.05169
 46 O     0.06281   -0.10172    0.05169
 47 O     0.00000   -0.02760   -0.02117
 48 O    -0.00000    0.02084    1.17322
 49 Pt    0.00000   -0.02215   -0.38461
 50 Pt   -0.00000    0.02100   -0.43603
 51 O    -1.68966   -0.01396   -0.71939
 52 O     1.68966   -0.01396   -0.71939
 53 O     0.00000   -0.02254   -1.40138
 54 O     0.00000   -0.00140    1.77771
 55 Pt    0.00000   -0.01212    0.51479
 56 Pt   -0.00000    0.16051    0.62575
 57 O    -1.61284    0.01343    0.09765
 58 O     1.61284    0.01343    0.09765
 59 O     0.00000   -0.02121   -0.51183
 60 O     0.00000   -0.07059   -0.05674
 61 Pt   -0.00000    0.01229   -0.01205
 62 Pt   -0.00000    0.02039   -0.00351
 63 O    -0.00342   -0.00824    0.00197
 64 O     0.00342   -0.00824    0.00197
 65 O     0.00000   -0.00915    0.00104
 66 O     0.00000    0.00563    0.00203
 67 Pt   -0.00000    0.00887    0.00672
 68 Pt   -0.00000    0.09874   -0.02838
 69 O    -0.00397   -0.00696   -0.00720
 70 O     0.00397   -0.00696   -0.00720
 71 O    -0.00000    0.00896   -0.01464
 72 N     0.00000   -1.61883   -1.48473
 73 N    -0.00000    1.84061    1.90772

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                     Pt            
          O Pt   N     O           
             O  N                  
        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    2.331040   24.160756    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.703718   23.293138    ( 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  06:55:26  -1.97   +inf  -419.825187    36     1      
iter:   2  06:57:32  -1.21  -1.78  -492.275029    37     1      
iter:   3  06:59:39  -1.64  -1.22  -416.341602    34     1      
iter:   4  07:01:47  -2.34  -1.96  -415.034073    34     1      
iter:   5  07:03:55  -2.89  -2.24  -414.414720    4      1      
iter:   6  07:06:03  -3.20  -2.58  -414.320911    3      1      
iter:   7  07:08:11  -2.97  -2.69  -414.233555    3      1      
iter:   8  07:10:20  -3.41  -2.72  -414.173733    3      1      
iter:   9  07:12:28  -3.56  -3.12  -414.194796    3      1      
iter:  10  07:14:36  -3.58  -2.70  -414.133817    3      1      
iter:  11  07:16:45  -3.52  -3.17  -414.114056    3      1      
iter:  12  07:18:54  -3.91  -3.28  -414.117783    3      1      
iter:  13  07:21:03  -4.36  -3.24  -414.111945    3      1      
iter:  14  07:23:11  -4.43  -3.41  -414.110872    3      1      
iter:  15  07:25:20  -4.37  -3.56  -414.108624    3      1      
iter:  16  07:27:29  -4.68  -3.64  -414.110930    3      1      
iter:  17  07:29:37  -5.17  -3.40  -414.108418    3      1      
iter:  18  07:31:46  -5.37  -3.78  -414.107974    3      1      
iter:  19  07:33:43  -5.43  -3.98  -414.108585    3      1      
iter:  20  07:35:40  -5.92  -3.85  -414.107640    3      1      
iter:  21  07:37:37  -6.15  -3.89  -414.107944    2      1      
iter:  22  07:39:34  -5.93  -3.86  -414.107632    3      1      
iter:  23  07:41:31  -6.09  -4.29  -414.107656    2      1      
iter:  24  07:43:28  -6.41  -4.56  -414.107693    2      1      
iter:  25  07:45:25  -6.69  -4.19  -414.107604    2      1      
iter:  26  07:47:22  -7.08  -4.72  -414.107777    2      1      
iter:  27  07:49:19  -7.50  -4.70  -414.107611    2      1      

Converged after 27 iterations.

Dipole moment: (-55.960322, -32.981941, 0.268557) |e|*Ang

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

Kinetic:        +26.561302
Potential:     -142.864578
External:        +0.000000
XC:            -307.575297
Entropy (-ST):   -1.550717
Local:          +10.546322
--------------------------
Free energy:   -414.882970
Extrapolated:  -414.107611

Fermi level: -6.31028

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39306    0.15464
  0   340     -6.36596    0.14127
  0   341     -6.36414    0.14033
  0   342     -6.32928    0.12163

  1   339     -6.28805    0.19762
  1   340     -6.23760    0.14484
  1   341     -6.19703    0.10831
  1   342     -6.19657    0.10793



Forces in eV/Ang:
  0 O     0.00000   -0.01687    1.17528
  1 Pt   -0.00000    0.00845   -0.37944
  2 Pt    0.00000   -0.01911   -0.43811
  3 O    -1.68322   -0.00018   -0.71869
  4 O     1.68322   -0.00018   -0.71869
  5 O     0.00000   -0.01201   -1.40794
  6 O     0.00000   -0.00276    1.76917
  7 Pt   -0.00000    0.01320    0.45067
  8 Pt    0.00000   -0.03852    0.79765
  9 O    -1.58150    0.00088    0.04967
 10 O     1.58150    0.00088    0.04967
 11 O     0.00000   -0.00871   -0.55775
 12 O    -0.00000    0.01546    0.04212
 13 Pt   -0.00000    0.05210    0.00240
 14 Pt    0.00000   -0.02313    0.00256
 15 O    -0.00102    0.00962    0.00123
 16 O     0.00102    0.00962    0.00123
 17 O    -0.00000    0.12096   -0.25312
 18 O     0.00000   -0.00101    0.01533
 19 Pt    0.00000   -0.04372   -0.01800
 20 Pt    0.00000   -0.37863   -0.09539
 21 O    -0.06087    0.10049    0.03096
 22 O     0.06087    0.10049    0.03096
 23 O     0.00000   -0.01792   -0.00593
 24 O     0.00000    0.00003    1.15329
 25 Pt   -0.00000    0.00603   -0.38211
 26 Pt    0.00000   -0.00002   -0.43647
 27 O    -1.69184    0.01377   -0.71808
 28 O     1.69184    0.01377   -0.71808
 29 O    -0.00000    0.05613   -1.38128
 30 O     0.00000   -0.00528    1.83109
 31 Pt   -0.00000    0.02026    0.51109
 32 Pt    0.00000   -0.17954    0.54560
 33 O    -1.61401   -0.01988    0.06802
 34 O     1.61401   -0.01988    0.06802
 35 O     0.00000   -0.03279   -0.51951
 36 O    -0.00000    0.06427   -0.04952
 37 Pt    0.00000   -0.10939   -0.00584
 38 Pt    0.00000   -0.00389   -0.01098
 39 O     0.00759    0.01371    0.01344
 40 O    -0.00759    0.01371    0.01344
 41 O     0.00000    0.00360   -0.01257
 42 O    -0.00000    0.01764   -0.00882
 43 Pt   -0.00000    0.01218   -0.00162
 44 Pt    0.00000   -0.00018    0.00863
 45 O    -0.06832   -0.11412    0.07151
 46 O     0.06832   -0.11412    0.07151
 47 O     0.00000   -0.02957   -0.01804
 48 O    -0.00000    0.02103    1.17532
 49 Pt    0.00000   -0.02235   -0.38414
 50 Pt   -0.00000    0.02103   -0.43810
 51 O    -1.69024   -0.01397   -0.71894
 52 O     1.69024   -0.01397   -0.71894
 53 O     0.00000   -0.02285   -1.40027
 54 O     0.00000   -0.00117    1.77385
 55 Pt    0.00000   -0.01210    0.51420
 56 Pt   -0.00000    0.16186    0.62493
 57 O    -1.61331    0.01354    0.09789
 58 O     1.61331    0.01354    0.09789
 59 O     0.00000   -0.02114   -0.51120
 60 O     0.00000   -0.06397   -0.05379
 61 Pt   -0.00000    0.01145   -0.01168
 62 Pt   -0.00000    0.01971   -0.00449
 63 O    -0.00420   -0.00822    0.00162
 64 O     0.00420   -0.00822    0.00162
 65 O     0.00000   -0.00771   -0.00672
 66 O     0.00000    0.00616    0.00381
 67 Pt   -0.00000    0.00797    0.00788
 68 Pt   -0.00000    0.09356   -0.02328
 69 O    -0.00311   -0.00691   -0.00334
 70 O     0.00311   -0.00691   -0.00334
 71 O    -0.00000    0.01098   -0.01213
 72 N    -0.00000    3.06907    5.01942
 73 N     0.00000   -2.84748   -4.60225

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                     Pt            
          O Pt   N     O           
             O  N                  
        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    2.345302   24.174846    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.702651   23.281248    ( 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  07:54:01  -2.39   +inf  -415.710211    35     1      
iter:   2  07:56:09  -1.86  -2.06  -437.519797    3      1      
iter:   3  07:58:17  -2.35  -1.47  -414.738185    30     1      
iter:   4  08:00:24  -2.72  -2.27  -414.358118    3      1      
iter:   5  08:02:30  -3.26  -2.66  -414.267617    3      1      
iter:   6  08:04:36  -3.62  -2.90  -414.238155    4      1      
iter:   7  08:06:42  -3.89  -3.29  -414.240222    3      1      
iter:   8  08:08:48  -3.99  -2.98  -414.213228    3      1      
iter:   9  08:10:54  -3.79  -3.43  -414.209716    3      1      
iter:  10  08:13:00  -4.17  -3.48  -414.206444    2      1      
iter:  11  08:15:06  -4.60  -3.63  -414.207248    3      1      
iter:  12  08:17:12  -4.95  -3.59  -414.206060    3      1      
iter:  13  08:19:19  -4.95  -3.68  -414.206699    3      1      
iter:  14  08:21:25  -5.09  -3.57  -414.207200    2      1      
iter:  15  08:23:32  -5.40  -3.80  -414.206238    2      1      
iter:  16  08:25:38  -5.32  -3.94  -414.206455    3      1      
iter:  17  08:27:45  -5.36  -3.96  -414.205858    3      1      
iter:  18  08:29:40  -5.87  -4.23  -414.205964    2      1      
iter:  19  08:31:35  -6.56  -4.32  -414.205811    2      1      
iter:  20  08:33:30  -6.75  -4.45  -414.205722    2      1      
iter:  21  08:35:25  -6.86  -4.41  -414.205983    2      1      
iter:  22  08:37:20  -7.06  -4.59  -414.205806    2      1      
iter:  23  08:39:16  -6.98  -4.69  -414.205872    2      1      
iter:  24  08:41:10  -7.00  -4.71  -414.205785    2      1      
iter:  25  08:43:06  -7.32  -4.87  -414.205799    2      1      
iter:  26  08:45:01  -7.93  -4.78  -414.205762    2      1      

Converged after 26 iterations.

Dipole moment: (-55.961153, -32.970035, 0.260761) |e|*Ang

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

Kinetic:        +20.948401
Potential:     -138.370295
External:        +0.000000
XC:            -306.545541
Entropy (-ST):   -1.551664
Local:          +10.537504
--------------------------
Free energy:   -414.981595
Extrapolated:  -414.205762

Fermi level: -6.31683

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39934    0.15451
  0   340     -6.37274    0.14138
  0   341     -6.37092    0.14045
  0   342     -6.33552    0.12146

  1   339     -6.29448    0.19749
  1   340     -6.24429    0.14497
  1   341     -6.20349    0.10824
  1   342     -6.20290    0.10775



Forces in eV/Ang:
  0 O     0.00000   -0.01675    1.17301
  1 Pt   -0.00000    0.00859   -0.37992
  2 Pt    0.00000   -0.01911   -0.43703
  3 O    -1.68195   -0.00017   -0.71925
  4 O     1.68195   -0.00017   -0.71925
  5 O     0.00000   -0.01208   -1.40821
  6 O     0.00000   -0.00276    1.77398
  7 Pt   -0.00000    0.01323    0.45218
  8 Pt    0.00000   -0.03821    0.79759
  9 O    -1.58080    0.00095    0.04966
 10 O     1.58080    0.00095    0.04966
 11 O     0.00000   -0.00871   -0.55827
 12 O    -0.00000    0.01618    0.03954
 13 Pt   -0.00000    0.05527    0.00329
 14 Pt    0.00000   -0.02340    0.00305
 15 O    -0.00134    0.00964    0.00140
 16 O     0.00134    0.00964    0.00140
 17 O    -0.00000    0.12572   -0.25773
 18 O     0.00000   -0.00115    0.01445
 19 Pt    0.00000   -0.04238   -0.01706
 20 Pt    0.00000   -0.36854   -0.03124
 21 O    -0.05806    0.09200    0.02271
 22 O     0.05806    0.09200    0.02271
 23 O     0.00000   -0.01937   -0.01824
 24 O     0.00000    0.00006    1.15104
 25 Pt   -0.00000    0.00580   -0.38259
 26 Pt    0.00000   -0.00001   -0.43550
 27 O    -1.69057    0.01375   -0.71864
 28 O     1.69057    0.01375   -0.71864
 29 O    -0.00000    0.05607   -1.38111
 30 O     0.00000   -0.00516    1.83596
 31 Pt   -0.00000    0.02031    0.51264
 32 Pt    0.00000   -0.17963    0.54479
 33 O    -1.61328   -0.02001    0.06795
 34 O     1.61328   -0.02001    0.06795
 35 O     0.00000   -0.03273   -0.51989
 36 O    -0.00000    0.06392   -0.04904
 37 Pt    0.00000   -0.11301   -0.00486
 38 Pt    0.00000   -0.00374   -0.01060
 39 O     0.00689    0.01379    0.01336
 40 O    -0.00689    0.01379    0.01336
 41 O     0.00000    0.00430   -0.00615
 42 O    -0.00000    0.01858   -0.01006
 43 Pt   -0.00000    0.01021   -0.00139
 44 Pt    0.00000   -0.00339    0.00735
 45 O    -0.06180   -0.10190    0.05550
 46 O     0.06180   -0.10190    0.05550
 47 O     0.00000   -0.02756   -0.02133
 48 O    -0.00000    0.02093    1.17307
 49 Pt    0.00000   -0.02227   -0.38469
 50 Pt   -0.00000    0.02101   -0.43705
 51 O    -1.68895   -0.01397   -0.71950
 52 O     1.68895   -0.01397   -0.71950
 53 O     0.00000   -0.02283   -1.40054
 54 O     0.00000   -0.00127    1.77867
 55 Pt    0.00000   -0.01211    0.51576
 56 Pt   -0.00000    0.16174    0.62497
 57 O    -1.61271    0.01351    0.09805
 58 O     1.61271    0.01351    0.09805
 59 O     0.00000   -0.02119   -0.51166
 60 O     0.00000   -0.06559   -0.05448
 61 Pt   -0.00000    0.01189   -0.01069
 62 Pt   -0.00000    0.01970   -0.00394
 63 O    -0.00404   -0.00820    0.00201
 64 O     0.00404   -0.00820    0.00201
 65 O     0.00000   -0.00886   -0.00101
 66 O     0.00000    0.00518    0.00253
 67 Pt   -0.00000    0.00847    0.00916
 68 Pt   -0.00000    0.09480   -0.02232
 69 O    -0.00351   -0.00686   -0.00142
 70 O     0.00351   -0.00686   -0.00142
 71 O    -0.00000    0.00942   -0.01464
 72 N    -0.00000    0.35111    1.11948
 73 N     0.00000   -0.06042   -0.77711

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                     Pt            
          O Pt   N     O           
             O  N                  
        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    2.350905   24.183822    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.714553   23.278263    ( 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  08:53:45  -3.18   +inf  -414.312295    4      1      
iter:   2  08:55:50  -2.91  -2.61  -416.798598    3      1      
iter:   3  08:57:56  -3.30  -1.92  -414.241239    3      1      
iter:   4  09:00:03  -3.89  -3.07  -414.221097    3      1      
iter:   5  09:02:09  -4.26  -3.49  -414.221756    3      1      
iter:   6  09:04:16  -4.58  -3.60  -414.217673    3      1      
iter:   7  09:06:21  -4.77  -3.74  -414.217004    3      1      
iter:   8  09:08:24  -5.10  -3.77  -414.216716    3      1      
iter:   9  09:10:25  -5.30  -4.12  -414.216576    3      1      
iter:  10  09:12:27  -5.76  -4.05  -414.216347    2      1      
iter:  11  09:14:29  -6.11  -4.10  -414.216848    3      1      
iter:  12  09:16:32  -5.94  -4.20  -414.216086    2      1      
iter:  13  09:18:35  -6.12  -4.39  -414.216456    2      1      
iter:  14  09:20:31  -6.26  -4.49  -414.216417    2      1      
iter:  15  09:22:26  -6.63  -4.73  -414.216429    2      1      
iter:  16  09:24:22  -7.00  -4.75  -414.216443    2      1      
iter:  17  09:26:17  -7.34  -4.47  -414.216322    2      1      
iter:  18  09:28:13  -7.89  -4.93  -414.216389    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961044, -32.967439, 0.262203) |e|*Ang

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

Kinetic:        +20.002332
Potential:     -137.621393
External:        +0.000000
XC:            -306.356439
Entropy (-ST):   -1.551220
Local:          +10.534721
--------------------------
Free energy:   -414.991999
Extrapolated:  -414.216389

Fermi level: -6.31557

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39807    0.15451
  0   340     -6.37150    0.14140
  0   341     -6.36967    0.14046
  0   342     -6.33411    0.12138

  1   339     -6.29315    0.19742
  1   340     -6.24306    0.14502
  1   341     -6.20213    0.10816
  1   342     -6.20164    0.10776



Forces in eV/Ang:
  0 O     0.00000   -0.01677    1.17423
  1 Pt   -0.00000    0.00873   -0.37991
  2 Pt    0.00000   -0.01910   -0.43682
  3 O    -1.68214   -0.00015   -0.71879
  4 O     1.68214   -0.00015   -0.71879
  5 O     0.00000   -0.01205   -1.40901
  6 O     0.00000   -0.00276    1.77258
  7 Pt   -0.00000    0.01316    0.45183
  8 Pt    0.00000   -0.03839    0.79789
  9 O    -1.58057    0.00094    0.04954
 10 O     1.58057    0.00094    0.04954
 11 O     0.00000   -0.00872   -0.55830
 12 O    -0.00000    0.01577    0.03844
 13 Pt   -0.00000    0.05384    0.00422
 14 Pt    0.00000   -0.02330    0.00377
 15 O    -0.00106    0.00964    0.00211
 16 O     0.00106    0.00964    0.00211
 17 O    -0.00000    0.11562   -0.24582
 18 O     0.00000   -0.00096    0.01346
 19 Pt    0.00000   -0.04176   -0.01910
 20 Pt    0.00000   -0.33824   -0.01490
 21 O    -0.05920    0.09142    0.01860
 22 O     0.05920    0.09142    0.01860
 23 O     0.00000   -0.01891   -0.01694
 24 O     0.00000    0.00008    1.15232
 25 Pt   -0.00000    0.00563   -0.38261
 26 Pt    0.00000   -0.00002   -0.43523
 27 O    -1.69076    0.01374   -0.71818
 28 O     1.69076    0.01374   -0.71818
 29 O    -0.00000    0.05629   -1.38166
 30 O     0.00000   -0.00510    1.83468
 31 Pt   -0.00000    0.02036    0.51227
 32 Pt    0.00000   -0.18029    0.54393
 33 O    -1.61305   -0.01999    0.06786
 34 O     1.61305   -0.01999    0.06786
 35 O     0.00000   -0.03269   -0.52002
 36 O    -0.00000    0.06171   -0.04771
 37 Pt    0.00000   -0.10895   -0.00374
 38 Pt    0.00000   -0.00396   -0.00993
 39 O     0.00700    0.01381    0.01410
 40 O    -0.00700    0.01381    0.01410
 41 O     0.00000    0.00392   -0.00398
 42 O    -0.00000    0.01792   -0.01054
 43 Pt   -0.00000    0.00919   -0.00434
 44 Pt    0.00000   -0.00247    0.00033
 45 O    -0.05985   -0.09697    0.04557
 46 O     0.05985   -0.09697    0.04557
 47 O     0.00000   -0.02770   -0.02200
 48 O    -0.00000    0.02094    1.17435
 49 Pt    0.00000   -0.02228   -0.38475
 50 Pt   -0.00000    0.02101   -0.43677
 51 O    -1.68911   -0.01397   -0.71907
 52 O     1.68911   -0.01397   -0.71907
 53 O     0.00000   -0.02294   -1.40101
 54 O     0.00000   -0.00132    1.77743
 55 Pt    0.00000   -0.01210    0.51534
 56 Pt   -0.00000    0.16225    0.62423
 57 O    -1.61243    0.01353    0.09805
 58 O     1.61243    0.01353    0.09805
 59 O     0.00000   -0.02122   -0.51181
 60 O     0.00000   -0.06398   -0.05348
 61 Pt   -0.00000    0.01190   -0.00873
 62 Pt   -0.00000    0.01975   -0.00340
 63 O    -0.00372   -0.00817    0.00229
 64 O     0.00372   -0.00817    0.00229
 65 O     0.00000   -0.00829    0.00135
 66 O     0.00000    0.00570    0.00216
 67 Pt   -0.00000    0.00866    0.00612
 68 Pt   -0.00000    0.09317   -0.03055
 69 O    -0.00477   -0.00668   -0.00680
 70 O     0.00477   -0.00668   -0.00680
 71 O    -0.00000    0.00920   -0.01632
 72 N     0.00000   -0.18451    0.34244
 73 N    -0.00000    0.35140   -0.08064

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                     Pt            
          O Pt   N     O           
             O  N                  
        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    2.357363   24.194772    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.734000   23.276114    ( 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  09:32:49  -2.95   +inf  -414.266297    3      1      
iter:   2  09:34:55  -3.15  -2.77  -415.463429    3      1      
iter:   3  09:37:00  -3.50  -2.07  -414.237652    3      1      
iter:   4  09:39:05  -4.10  -3.28  -414.227065    3      1      
iter:   5  09:41:08  -4.39  -3.58  -414.226682    3      1      
iter:   6  09:43:10  -4.56  -3.64  -414.224994    3      1      
iter:   7  09:45:13  -4.90  -3.80  -414.224622    3      1      
iter:   8  09:47:15  -5.25  -4.00  -414.224796    3      1      
iter:   9  09:49:19  -5.49  -4.34  -414.224378    2      1      
iter:  10  09:51:18  -5.97  -4.27  -414.225607    3      1      
iter:  11  09:53:15  -5.93  -4.07  -414.224648    1      1      
iter:  12  09:55:14  -6.18  -4.59  -414.224633    2      1      
iter:  13  09:57:16  -6.62  -4.38  -414.224810    2      1      
iter:  14  09:59:17  -6.79  -4.32  -414.224703    2      1      
iter:  15  10:01:09  -6.87  -4.90  -414.224806    2      1      
iter:  16  10:03:07  -7.04  -4.75  -414.224492    2      1      
iter:  17  10:05:04  -7.32  -4.70  -414.224752    2      1      
iter:  18  10:07:02  -7.72  -5.07  -414.224704    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961104, -32.963696, 0.263861) |e|*Ang

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

Kinetic:        +19.354825
Potential:     -137.097057
External:        +0.000000
XC:            -306.243045
Entropy (-ST):   -1.550596
Local:          +10.535872
--------------------------
Free energy:   -415.000002
Extrapolated:  -414.224704

Fermi level: -6.31424

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39682    0.15455
  0   340     -6.37012    0.14137
  0   341     -6.36828    0.14042
  0   342     -6.33276    0.12137

  1   339     -6.29189    0.19749
  1   340     -6.24170    0.14498
  1   341     -6.20072    0.10809
  1   342     -6.20048    0.10789



Forces in eV/Ang:
  0 O     0.00000   -0.01685    1.17374
  1 Pt   -0.00000    0.00897   -0.38004
  2 Pt    0.00000   -0.01910   -0.43643
  3 O    -1.68268   -0.00018   -0.71904
  4 O     1.68268   -0.00018   -0.71904
  5 O     0.00000   -0.01194   -1.40909
  6 O     0.00000   -0.00274    1.77279
  7 Pt   -0.00000    0.01319    0.45166
  8 Pt    0.00000   -0.03872    0.79882
  9 O    -1.58095    0.00104    0.04939
 10 O     1.58095    0.00104    0.04939
 11 O     0.00000   -0.00872   -0.55820
 12 O    -0.00000    0.01496    0.03671
 13 Pt   -0.00000    0.05032    0.00253
 14 Pt    0.00000   -0.02324    0.00291
 15 O    -0.00124    0.00963    0.00194
 16 O     0.00124    0.00963    0.00194
 17 O    -0.00000    0.09795   -0.22860
 18 O     0.00000   -0.00079    0.01372
 19 Pt    0.00000   -0.04104   -0.01702
 20 Pt    0.00000   -0.29604    0.00770
 21 O    -0.05942    0.09097    0.02637
 22 O     0.05942    0.09097    0.02637
 23 O     0.00000   -0.01846   -0.01571
 24 O     0.00000    0.00013    1.15192
 25 Pt   -0.00000    0.00538   -0.38274
 26 Pt    0.00000    0.00001   -0.43483
 27 O    -1.69127    0.01377   -0.71843
 28 O     1.69127    0.01377   -0.71843
 29 O    -0.00000    0.05661   -1.38138
 30 O     0.00000   -0.00518    1.83458
 31 Pt   -0.00000    0.02029    0.51204
 32 Pt    0.00000   -0.18138    0.54320
 33 O    -1.61347   -0.02001    0.06779
 34 O     1.61347   -0.02001    0.06779
 35 O     0.00000   -0.03269   -0.52013
 36 O    -0.00000    0.05849   -0.04621
 37 Pt    0.00000   -0.10067   -0.00532
 38 Pt    0.00000   -0.00372   -0.00998
 39 O     0.00705    0.01379    0.01392
 40 O    -0.00705    0.01379    0.01392
 41 O     0.00000    0.00414   -0.00776
 42 O    -0.00000    0.01828   -0.00997
 43 Pt   -0.00000    0.00851   -0.00538
 44 Pt    0.00000    0.00137    0.00074
 45 O    -0.05471   -0.08927    0.04210
 46 O     0.05471   -0.08927    0.04210
 47 O     0.00000   -0.02787   -0.02044
 48 O    -0.00000    0.02095    1.17392
 49 Pt    0.00000   -0.02233   -0.38502
 50 Pt   -0.00000    0.02099   -0.43641
 51 O    -1.68963   -0.01397   -0.71935
 52 O     1.68963   -0.01397   -0.71935
 53 O     0.00000   -0.02313   -1.40049
 54 O     0.00000   -0.00128    1.77731
 55 Pt    0.00000   -0.01209    0.51511
 56 Pt   -0.00000    0.16313    0.62341
 57 O    -1.61278    0.01354    0.09812
 58 O     1.61278    0.01354    0.09812
 59 O     0.00000   -0.02121   -0.51187
 60 O     0.00000   -0.06073   -0.05200
 61 Pt   -0.00000    0.01180   -0.00774
 62 Pt   -0.00000    0.01941   -0.00361
 63 O    -0.00345   -0.00814    0.00210
 64 O     0.00345   -0.00814    0.00210
 65 O     0.00000   -0.00833   -0.00137
 66 O     0.00000    0.00539    0.00279
 67 Pt   -0.00000    0.00871    0.00608
 68 Pt   -0.00000    0.09014   -0.02986
 69 O    -0.00379   -0.00655   -0.00404
 70 O     0.00379   -0.00655   -0.00404
 71 O    -0.00000    0.00894   -0.01562
 72 N     0.00000   -0.45773   -0.10817
 73 N    -0.00000    0.55401    0.35384

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O Pt   N   PtO           
             O   N                 
        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    2.363189   24.204430    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.753731   23.275294    ( 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  10:11:45  -3.00   +inf  -414.231644    3      1      
iter:   2  10:13:56  -3.71  -3.35  -414.292960    3      1      
iter:   3  10:16:06  -4.09  -2.72  -414.236182    3      1      
iter:   4  10:18:17  -4.51  -3.41  -414.230643    3      1      
iter:   5  10:20:30  -4.44  -3.87  -414.231073    3      1      
iter:   6  10:22:40  -4.96  -3.76  -414.230977    2      1      
iter:   7  10:24:53  -5.30  -3.94  -414.230744    2      1      
iter:   8  10:27:04  -5.50  -4.25  -414.231186    3      1      
iter:   9  10:29:16  -5.70  -3.93  -414.231107    2      1      
iter:  10  10:31:26  -6.09  -4.07  -414.230532    2      1      
iter:  11  10:33:37  -6.48  -4.53  -414.230800    2      1      
iter:  12  10:35:48  -6.95  -4.81  -414.230680    2      1      
iter:  13  10:37:58  -7.08  -4.96  -414.230715    2      1      
iter:  14  10:40:08  -7.09  -4.91  -414.230691    2      1      
iter:  15  10:42:06  -7.45  -5.18  -414.230676    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961096, -32.962242, 0.266693) |e|*Ang

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

Kinetic:        +19.094137
Potential:     -136.881196
External:        +0.000000
XC:            -306.204741
Entropy (-ST):   -1.550034
Local:          +10.536140
--------------------------
Free energy:   -415.005694
Extrapolated:  -414.230676

Fermi level: -6.31125

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39377    0.15452
  0   340     -6.36744    0.14153
  0   341     -6.36559    0.14058
  0   342     -6.32951    0.12123

  1   339     -6.28912    0.19774
  1   340     -6.23891    0.14518
  1   341     -6.19767    0.10804
  1   342     -6.19753    0.10793



Forces in eV/Ang:
  0 O     0.00000   -0.01692    1.17353
  1 Pt   -0.00000    0.00916   -0.37972
  2 Pt    0.00000   -0.01910   -0.43584
  3 O    -1.68099   -0.00016   -0.71917
  4 O     1.68099   -0.00016   -0.71917
  5 O     0.00000   -0.01183   -1.41010
  6 O     0.00000   -0.00273    1.77860
  7 Pt   -0.00000    0.01304    0.45366
  8 Pt    0.00000   -0.03913    0.80114
  9 O    -1.58082    0.00098    0.04956
 10 O     1.58082    0.00098    0.04956
 11 O     0.00000   -0.00874   -0.55772
 12 O    -0.00000    0.01385    0.03537
 13 Pt   -0.00000    0.04745    0.00233
 14 Pt    0.00000   -0.02313    0.00305
 15 O    -0.00176    0.00961    0.00195
 16 O     0.00176    0.00961    0.00195
 17 O    -0.00000    0.07825   -0.21116
 18 O     0.00000   -0.00075    0.01287
 19 Pt    0.00000   -0.04041   -0.01428
 20 Pt    0.00000   -0.24790    0.02778
 21 O    -0.06063    0.09170    0.03284
 22 O     0.06063    0.09170    0.03284
 23 O     0.00000   -0.01796   -0.01455
 24 O     0.00000    0.00015    1.15172
 25 Pt   -0.00000    0.00519   -0.38243
 26 Pt    0.00000   -0.00001   -0.43412
 27 O    -1.68958    0.01376   -0.71856
 28 O     1.68958    0.01376   -0.71856
 29 O    -0.00000    0.05688   -1.38197
 30 O     0.00000   -0.00524    1.84059
 31 Pt   -0.00000    0.02038    0.51398
 32 Pt    0.00000   -0.18221    0.54421
 33 O    -1.61338   -0.01990    0.06806
 34 O     1.61338   -0.01990    0.06806
 35 O     0.00000   -0.03269   -0.51966
 36 O    -0.00000    0.05586   -0.04524
 37 Pt    0.00000   -0.09317   -0.00505
 38 Pt    0.00000   -0.00381   -0.00981
 39 O     0.00664    0.01379    0.01391
 40 O    -0.00664    0.01379    0.01391
 41 O     0.00000    0.00447   -0.00250
 42 O    -0.00000    0.01805   -0.01090
 43 Pt   -0.00000    0.00790   -0.00606
 44 Pt   -0.00000    0.00511    0.00089
 45 O    -0.05044   -0.08240    0.03589
 46 O     0.05044   -0.08240    0.03589
 47 O     0.00000   -0.02879   -0.01931
 48 O    -0.00000    0.02100    1.17371
 49 Pt    0.00000   -0.02239   -0.38476
 50 Pt   -0.00000    0.02102   -0.43573
 51 O    -1.68790   -0.01397   -0.71951
 52 O     1.68790   -0.01397   -0.71951
 53 O     0.00000   -0.02324   -1.40074
 54 O     0.00000   -0.00122    1.78336
 55 Pt    0.00000   -0.01207    0.51718
 56 Pt   -0.00000    0.16376    0.62427
 57 O    -1.61263    0.01358    0.09849
 58 O     1.61263    0.01358    0.09849
 59 O     0.00000   -0.02120   -0.51139
 60 O     0.00000   -0.05793   -0.05083
 61 Pt   -0.00000    0.01171   -0.00526
 62 Pt   -0.00000    0.01932   -0.00351
 63 O    -0.00367   -0.00813    0.00183
 64 O     0.00367   -0.00813    0.00183
 65 O     0.00000   -0.00810    0.00479
 66 O     0.00000    0.00581    0.00195
 67 Pt   -0.00000    0.00869    0.00711
 68 Pt   -0.00000    0.08788   -0.02921
 69 O    -0.00493   -0.00651   -0.00357
 70 O     0.00493   -0.00651   -0.00357
 71 O    -0.00000    0.00953   -0.01531
 72 N     0.00000   -0.52166   -0.23887
 73 N    -0.00000    0.61819    0.42722

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O Pt   N   PtO           
             O   N                 
        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    2.369068   24.213965    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.773890   23.274537    ( 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  10:51:52  -2.98   +inf  -414.360007    3      1      
iter:   2  10:54:03  -2.81  -2.56  -417.537821    3      1      
iter:   3  10:56:12  -3.20  -1.87  -414.262211    3      1      
iter:   4  10:58:23  -3.74  -2.93  -414.243465    3      1      
iter:   5  11:00:34  -4.24  -3.62  -414.239104    3      1      
iter:   6  11:02:46  -4.47  -3.72  -414.238280    3      1      
iter:   7  11:04:58  -4.96  -3.95  -414.238392    2      1      
iter:   8  11:07:09  -5.24  -4.06  -414.238570    2      1      
iter:   9  11:09:20  -5.66  -4.08  -414.238461    2      1      
iter:  10  11:11:32  -5.90  -4.39  -414.238542    2      1      
iter:  11  11:13:45  -5.85  -4.29  -414.238133    2      1      
iter:  12  11:15:55  -6.57  -4.41  -414.238566    2      1      
iter:  13  11:18:09  -6.64  -4.39  -414.238345    2      1      
iter:  14  11:20:07  -7.17  -4.76  -414.238375    2      1      
iter:  15  11:22:04  -7.08  -4.44  -414.238433    2      1      
iter:  16  11:24:03  -7.19  -4.50  -414.238367    2      1      
iter:  17  11:26:00  -7.70  -5.06  -414.238357    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961119, -32.959084, 0.269297) |e|*Ang

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

Kinetic:        +18.902637
Potential:     -136.731557
External:        +0.000000
XC:            -306.171103
Entropy (-ST):   -1.549280
Local:          +10.536306
--------------------------
Free energy:   -415.012997
Extrapolated:  -414.238357

Fermi level: -6.30968

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39237    0.15460
  0   340     -6.36564    0.14141
  0   341     -6.36377    0.14045
  0   342     -6.32805    0.12129

  1   339     -6.28742    0.19759
  1   340     -6.23718    0.14502
  1   341     -6.19609    0.10803
  1   342     -6.19602    0.10797



Forces in eV/Ang:
  0 O     0.00000   -0.01702    1.17375
  1 Pt   -0.00000    0.00933   -0.38021
  2 Pt    0.00000   -0.01910   -0.43628
  3 O    -1.68258   -0.00018   -0.71919
  4 O     1.68258   -0.00018   -0.71919
  5 O     0.00000   -0.01170   -1.40998
  6 O     0.00000   -0.00274    1.77445
  7 Pt   -0.00000    0.01299    0.45205
  8 Pt    0.00000   -0.03957    0.80035
  9 O    -1.58053    0.00106    0.04949
 10 O     1.58053    0.00106    0.04949
 11 O     0.00000   -0.00874   -0.55789
 12 O    -0.00000    0.01297    0.03437
 13 Pt   -0.00000    0.04490    0.00132
 14 Pt    0.00000   -0.02297    0.00222
 15 O    -0.00144    0.00945    0.00220
 16 O     0.00144    0.00945    0.00220
 17 O    -0.00000    0.05827   -0.19680
 18 O     0.00000   -0.00052    0.01311
 19 Pt    0.00000   -0.04028   -0.01284
 20 Pt    0.00000   -0.20420    0.03647
 21 O    -0.06151    0.09168    0.03862
 22 O     0.06151    0.09168    0.03862
 23 O     0.00000   -0.01752   -0.01346
 24 O     0.00000    0.00019    1.15205
 25 Pt   -0.00000    0.00499   -0.38294
 26 Pt    0.00000    0.00000   -0.43452
 27 O    -1.69114    0.01377   -0.71858
 28 O     1.69114    0.01377   -0.71858
 29 O    -0.00000    0.05722   -1.38174
 30 O     0.00000   -0.00530    1.83625
 31 Pt   -0.00000    0.02037    0.51232
 32 Pt    0.00000   -0.18315    0.54218
 33 O    -1.61312   -0.01990    0.06809
 34 O     1.61312   -0.01990    0.06809
 35 O     0.00000   -0.03268   -0.51990
 36 O    -0.00000    0.05328   -0.04407
 37 Pt    0.00000   -0.08484   -0.00620
 38 Pt    0.00000   -0.00374   -0.01018
 39 O     0.00723    0.01389    0.01418
 40 O    -0.00723    0.01389    0.01418
 41 O     0.00000    0.00424   -0.00784
 42 O    -0.00000    0.01793   -0.01045
 43 Pt   -0.00000    0.00777   -0.00829
 44 Pt   -0.00000    0.00846   -0.00047
 45 O    -0.04564   -0.07521    0.03099
 46 O     0.04564   -0.07521    0.03099
 47 O     0.00000   -0.02899   -0.01818
 48 O    -0.00000    0.02104    1.17403
 49 Pt    0.00000   -0.02245   -0.38537
 50 Pt   -0.00000    0.02101   -0.43616
 51 O    -1.68945   -0.01395   -0.71956
 52 O     1.68945   -0.01395   -0.71956
 53 O     0.00000   -0.02340   -1.40020
 54 O     0.00000   -0.00116    1.77904
 55 Pt    0.00000   -0.01206    0.51556
 56 Pt   -0.00000    0.16452    0.62197
 57 O    -1.61227    0.01362    0.09861
 58 O     1.61227    0.01362    0.09861
 59 O     0.00000   -0.02121   -0.51163
 60 O     0.00000   -0.05511   -0.04952
 61 Pt   -0.00000    0.01157   -0.00444
 62 Pt   -0.00000    0.01905   -0.00400
 63 O    -0.00309   -0.00808    0.00198
 64 O     0.00309   -0.00808    0.00198
 65 O     0.00000   -0.00782    0.00061
 66 O     0.00000    0.00594    0.00245
 67 Pt   -0.00000    0.00874    0.00687
 68 Pt   -0.00000    0.08609   -0.03027
 69 O    -0.00406   -0.00631   -0.00222
 70 O     0.00406   -0.00631   -0.00222
 71 O    -0.00000    0.00945   -0.01528
 72 N     0.00000   -0.55596   -0.36896
 73 N    -0.00000    0.61255    0.61054

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   PtO           
            Pt   N                 
        O          PtO             
         PtO PO      O             
               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    2.375296   24.223098    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.793546   23.275277    ( 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  11:30:43  -3.02   +inf  -414.245300    3      1      
iter:   2  11:32:54  -3.75  -3.36  -414.311578    3      1      
iter:   3  11:35:06  -4.13  -2.69  -414.247922    3      1      
iter:   4  11:37:18  -4.57  -3.51  -414.243602    3      1      
iter:   5  11:39:29  -4.50  -3.85  -414.244069    3      1      
iter:   6  11:41:40  -5.05  -3.89  -414.244122    2      1      
iter:   7  11:43:51  -5.33  -4.00  -414.243956    2      1      
iter:   8  11:46:04  -5.62  -4.24  -414.244328    2      1      
iter:   9  11:48:17  -5.79  -3.98  -414.244158    2      1      
iter:  10  11:50:28  -6.06  -4.37  -414.243733    2      1      
iter:  11  11:52:38  -6.42  -4.46  -414.244070    2      1      
iter:  12  11:54:49  -6.89  -4.77  -414.243942    2      1      
iter:  13  11:56:59  -7.25  -5.02  -414.243955    2      1      
iter:  14  11:59:09  -7.26  -4.96  -414.243909    2      1      
iter:  15  12:01:07  -7.42  -4.84  -414.243920    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961107, -32.956965, 0.272057) |e|*Ang

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

Kinetic:        +18.833783
Potential:     -136.677595
External:        +0.000000
XC:            -306.161601
Entropy (-ST):   -1.548789
Local:          +10.535887
--------------------------
Free energy:   -415.018315
Extrapolated:  -414.243920

Fermi level: -6.30715

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38984    0.15460
  0   340     -6.36319    0.14146
  0   341     -6.36131    0.14049
  0   342     -6.32545    0.12125

  1   339     -6.28501    0.19772
  1   340     -6.23471    0.14508
  1   341     -6.19362    0.10809
  1   342     -6.19344    0.10793



Forces in eV/Ang:
  0 O     0.00000   -0.01711    1.17368
  1 Pt   -0.00000    0.00943   -0.38024
  2 Pt    0.00000   -0.01910   -0.43610
  3 O    -1.68194   -0.00018   -0.71915
  4 O     1.68194   -0.00018   -0.71915
  5 O     0.00000   -0.01155   -1.41048
  6 O     0.00000   -0.00270    1.77535
  7 Pt   -0.00000    0.01291    0.45244
  8 Pt    0.00000   -0.04001    0.80141
  9 O    -1.58081    0.00104    0.04919
 10 O     1.58081    0.00104    0.04919
 11 O     0.00000   -0.00876   -0.55780
 12 O    -0.00000    0.01167    0.03326
 13 Pt   -0.00000    0.04327    0.00013
 14 Pt    0.00000   -0.02286    0.00195
 15 O    -0.00168    0.00942    0.00200
 16 O     0.00168    0.00942    0.00200
 17 O    -0.00000    0.03707   -0.18235
 18 O     0.00000   -0.00042    0.01281
 19 Pt    0.00000   -0.03998   -0.01068
 20 Pt    0.00000   -0.15323    0.05262
 21 O    -0.06339    0.09435    0.04633
 22 O     0.06339    0.09435    0.04633
 23 O     0.00000   -0.01752   -0.01178
 24 O     0.00000    0.00023    1.15198
 25 Pt   -0.00000    0.00490   -0.38297
 26 Pt    0.00000    0.00000   -0.43426
 27 O    -1.69048    0.01379   -0.71853
 28 O     1.69048    0.01379   -0.71853
 29 O    -0.00000    0.05744   -1.38208
 30 O     0.00000   -0.00537    1.83719
 31 Pt   -0.00000    0.02038    0.51263
 32 Pt    0.00000   -0.18382    0.54246
 33 O    -1.61344   -0.01982    0.06789
 34 O     1.61344   -0.01982    0.06789
 35 O     0.00000   -0.03268   -0.51986
 36 O    -0.00000    0.05124   -0.04353
 37 Pt    0.00000   -0.07830   -0.00678
 38 Pt    0.00000   -0.00372   -0.01014
 39 O     0.00715    0.01390    0.01399
 40 O    -0.00715    0.01390    0.01399
 41 O     0.00000    0.00443   -0.00711
 42 O    -0.00000    0.01802   -0.01068
 43 Pt   -0.00000    0.00756   -0.01051
 44 Pt   -0.00000    0.01269   -0.00155
 45 O    -0.04114   -0.07000    0.02435
 46 O     0.04114   -0.07000    0.02435
 47 O     0.00000   -0.02915   -0.01703
 48 O    -0.00000    0.02108    1.17394
 49 Pt    0.00000   -0.02251   -0.38545
 50 Pt   -0.00000    0.02101   -0.43596
 51 O    -1.68878   -0.01395   -0.71952
 52 O     1.68878   -0.01395   -0.71952
 53 O     0.00000   -0.02346   -1.40014
 54 O     0.00000   -0.00112    1.77999
 55 Pt    0.00000   -0.01203    0.51597
 56 Pt   -0.00000    0.16497    0.62206
 57 O    -1.61252    0.01366    0.09846
 58 O     1.61252    0.01366    0.09846
 59 O     0.00000   -0.02119   -0.51156
 60 O     0.00000   -0.05272   -0.04872
 61 Pt   -0.00000    0.01144   -0.00361
 62 Pt   -0.00000    0.01886   -0.00413
 63 O    -0.00313   -0.00805    0.00166
 64 O     0.00313   -0.00805    0.00166
 65 O     0.00000   -0.00744    0.00262
 66 O     0.00000    0.00595    0.00226
 67 Pt   -0.00000    0.00865    0.00682
 68 Pt   -0.00000    0.08435   -0.02944
 69 O    -0.00437   -0.00624   -0.00213
 70 O     0.00437   -0.00624   -0.00213
 71 O    -0.00000    0.00978   -0.01452
 72 N     0.00000   -0.53598   -0.45613
 73 N    -0.00000    0.55877    0.60673

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   PtO           
            Pt   N                 
        O          PtO             
         PtO PO      O             
               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    2.381872   24.231220    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.812751   23.276127    ( 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  12:08:37  -3.05   +inf  -414.264814    3      1      
iter:   2  12:10:47  -3.48  -2.97  -414.763824    2      1      
iter:   3  12:13:00  -3.82  -2.25  -414.248073    2      1      
iter:   4  12:15:13  -4.41  -3.83  -414.248610    3      1      
iter:   5  12:17:24  -4.62  -3.88  -414.245722    2      1      
iter:   6  12:19:35  -4.85  -3.87  -414.247187    3      1      
iter:   7  12:21:46  -5.42  -4.09  -414.247090    2      1      
iter:   8  12:23:57  -5.68  -4.38  -414.247159    2      1      
iter:   9  12:26:09  -5.76  -4.44  -414.247707    2      1      
iter:  10  12:28:21  -5.99  -3.73  -414.247160    2      1      
iter:  11  12:30:30  -6.35  -4.58  -414.247319    2      1      
iter:  12  12:32:41  -6.91  -4.70  -414.246994    2      1      
iter:  13  12:34:54  -7.17  -4.66  -414.247193    2      1      
iter:  14  12:37:04  -7.22  -4.93  -414.247164    2      1      
iter:  15  12:39:14  -7.34  -5.12  -414.247175    2      1      
iter:  16  12:41:11  -7.42  -4.58  -414.247183    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961099, -32.954055, 0.274859) |e|*Ang

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

Kinetic:        +18.840052
Potential:     -136.684820
External:        +0.000000
XC:            -306.163865
Entropy (-ST):   -1.548241
Local:          +10.535571
--------------------------
Free energy:   -415.021303
Extrapolated:  -414.247183

Fermi level: -6.30551

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38838    0.15468
  0   340     -6.36121    0.14128
  0   341     -6.35932    0.14030
  0   342     -6.32399    0.12135

  1   339     -6.28321    0.19754
  1   340     -6.23286    0.14487
  1   341     -6.19212    0.10819
  1   342     -6.19172    0.10787



Forces in eV/Ang:
  0 O     0.00000   -0.01720    1.17387
  1 Pt   -0.00000    0.00951   -0.38113
  2 Pt    0.00000   -0.01910   -0.43702
  3 O    -1.68378   -0.00020   -0.71908
  4 O     1.68378   -0.00020   -0.71908
  5 O     0.00000   -0.01141   -1.41023
  6 O     0.00000   -0.00269    1.76837
  7 Pt   -0.00000    0.01286    0.45007
  8 Pt    0.00000   -0.04044    0.80013
  9 O    -1.58092    0.00109    0.04887
 10 O     1.58092    0.00109    0.04887
 11 O     0.00000   -0.00876   -0.55821
 12 O    -0.00000    0.01056    0.03262
 13 Pt   -0.00000    0.04232   -0.00204
 14 Pt    0.00000   -0.02270    0.00056
 15 O    -0.00131    0.00931    0.00192
 16 O     0.00131    0.00931    0.00192
 17 O    -0.00000    0.01675   -0.17259
 18 O     0.00000   -0.00023    0.01329
 19 Pt    0.00000   -0.03996   -0.00962
 20 Pt    0.00000   -0.10676    0.05988
 21 O    -0.06397    0.09542    0.05266
 22 O     0.06397    0.09542    0.05266
 23 O     0.00000   -0.01704   -0.01056
 24 O     0.00000    0.00026    1.15223
 25 Pt   -0.00000    0.00480   -0.38387
 26 Pt    0.00000    0.00002   -0.43512
 27 O    -1.69229    0.01380   -0.71845
 28 O     1.69229    0.01380   -0.71845
 29 O    -0.00000    0.05770   -1.38191
 30 O     0.00000   -0.00541    1.83009
 31 Pt   -0.00000    0.02037    0.51020
 32 Pt    0.00000   -0.18442    0.54058
 33 O    -1.61358   -0.01978    0.06767
 34 O     1.61358   -0.01978    0.06767
 35 O     0.00000   -0.03268   -0.52031
 36 O    -0.00000    0.04961   -0.04327
 37 Pt    0.00000   -0.07197   -0.00873
 38 Pt    0.00000   -0.00373   -0.01120
 39 O     0.00777    0.01395    0.01390
 40 O    -0.00777    0.01395    0.01390
 41 O     0.00000    0.00417   -0.01340
 42 O    -0.00000    0.01809   -0.01017
 43 Pt   -0.00000    0.00747   -0.01266
 44 Pt   -0.00000    0.01592   -0.00199
 45 O    -0.03687   -0.06472    0.02018
 46 O     0.03687   -0.06472    0.02018
 47 O     0.00000   -0.02938   -0.01569
 48 O    -0.00000    0.02111    1.17418
 49 Pt    0.00000   -0.02258   -0.38640
 50 Pt   -0.00000    0.02100   -0.43684
 51 O    -1.69060   -0.01395   -0.71945
 52 O     1.69060   -0.01395   -0.71945
 53 O     0.00000   -0.02355   -1.39962
 54 O     0.00000   -0.00110    1.77291
 55 Pt    0.00000   -0.01201    0.51357
 56 Pt   -0.00000    0.16537    0.61990
 57 O    -1.61259    0.01370    0.09827
 58 O     1.61259    0.01370    0.09827
 59 O     0.00000   -0.02119   -0.51198
 60 O     0.00000   -0.05071   -0.04821
 61 Pt   -0.00000    0.01124   -0.00448
 62 Pt   -0.00000    0.01868   -0.00538
 63 O    -0.00256   -0.00802    0.00153
 64 O     0.00256   -0.00802    0.00153
 65 O     0.00000   -0.00690   -0.00235
 66 O     0.00000    0.00588    0.00280
 67 Pt   -0.00000    0.00862    0.00656
 68 Pt   -0.00000    0.08260   -0.03022
 69 O    -0.00359   -0.00611   -0.00125
 70 O     0.00359   -0.00611   -0.00125
 71 O    -0.00000    0.00976   -0.01412
 72 N     0.00000   -0.52217   -0.48317
 73 N    -0.00000    0.51677    0.62204

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   PtO           
            Pt   N                 
        O          PtO             
         PtO PO      O             
               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    2.388775   24.239085    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.832208   23.277242    ( 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  12:48:51  -3.03   +inf  -414.298266    3      1      
iter:   2  12:51:01  -3.14  -2.75  -415.691861    3      1      
iter:   3  12:53:11  -3.46  -2.05  -414.254750    3      1      
iter:   4  12:55:22  -4.15  -3.43  -414.252221    3      1      
iter:   5  12:57:34  -4.45  -3.84  -414.248669    2      1      
iter:   6  12:59:46  -4.71  -3.82  -414.249898    3      1      
iter:   7  13:01:56  -5.17  -3.93  -414.249732    2      1      
iter:   8  13:04:07  -5.56  -4.06  -414.250021    2      1      
iter:   9  13:06:17  -5.94  -4.46  -414.249985    2      1      
iter:  10  13:08:26  -6.07  -4.19  -414.249836    2      1      
iter:  11  13:10:35  -6.22  -4.27  -414.250161    2      1      
iter:  12  13:12:45  -6.61  -4.58  -414.249960    2      1      
iter:  13  13:14:57  -6.96  -4.71  -414.249982    2      1      
iter:  14  13:17:10  -7.27  -4.95  -414.249946    2      1      
iter:  15  13:19:08  -7.40  -4.68  -414.250031    2      1      
iter:  16  13:21:06  -7.22  -4.46  -414.249989    2      1      
iter:  17  13:23:04  -7.65  -5.12  -414.249914    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961086, -32.950696, 0.276311) |e|*Ang

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

Kinetic:        +18.900388
Potential:     -136.736862
External:        +0.000000
XC:            -306.173910
Entropy (-ST):   -1.547998
Local:          +10.534469
--------------------------
Free energy:   -415.023913
Extrapolated:  -414.249914

Fermi level: -6.30379

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38664    0.15468
  0   340     -6.35967    0.14137
  0   341     -6.35778    0.14040
  0   342     -6.32229    0.12136

  1   339     -6.28172    0.19780
  1   340     -6.23122    0.14496
  1   341     -6.19045    0.10824
  1   342     -6.19006    0.10792



Forces in eV/Ang:
  0 O     0.00000   -0.01730    1.17376
  1 Pt   -0.00000    0.00959   -0.38013
  2 Pt    0.00000   -0.01910   -0.43624
  3 O    -1.68264   -0.00020   -0.71909
  4 O     1.68264   -0.00020   -0.71909
  5 O     0.00000   -0.01129   -1.41029
  6 O     0.00000   -0.00269    1.77336
  7 Pt   -0.00000    0.01291    0.45193
  8 Pt    0.00000   -0.04091    0.80186
  9 O    -1.58112    0.00116    0.04891
 10 O     1.58112    0.00116    0.04891
 11 O     0.00000   -0.00878   -0.55767
 12 O    -0.00000    0.00952    0.03256
 13 Pt   -0.00000    0.04164   -0.00176
 14 Pt    0.00000   -0.02250    0.00080
 15 O    -0.00183    0.00935    0.00183
 16 O     0.00183    0.00935    0.00183
 17 O     0.00000   -0.00370   -0.16239
 18 O     0.00000    0.00007    0.01299
 19 Pt    0.00000   -0.04012   -0.00840
 20 Pt    0.00000   -0.06141    0.06324
 21 O    -0.06634    0.09859    0.05817
 22 O     0.06634    0.09859    0.05817
 23 O     0.00000   -0.01654   -0.00952
 24 O     0.00000    0.00030    1.15214
 25 Pt   -0.00000    0.00472   -0.38289
 26 Pt    0.00000    0.00001   -0.43431
 27 O    -1.69114    0.01381   -0.71847
 28 O     1.69114    0.01381   -0.71847
 29 O    -0.00000    0.05791   -1.38194
 30 O     0.00000   -0.00539    1.83498
 31 Pt   -0.00000    0.02027    0.51201
 32 Pt    0.00000   -0.18488    0.54182
 33 O    -1.61383   -0.01978    0.06784
 34 O     1.61383   -0.01978    0.06784
 35 O     0.00000   -0.03265   -0.51992
 36 O    -0.00000    0.04874   -0.04251
 37 Pt    0.00000   -0.06573   -0.00835
 38 Pt    0.00000   -0.00376   -0.01041
 39 O     0.00752    0.01386    0.01392
 40 O    -0.00752    0.01386    0.01392
 41 O     0.00000    0.00452   -0.01349
 42 O    -0.00000    0.01804   -0.01028
 43 Pt   -0.00000    0.00750   -0.01511
 44 Pt   -0.00000    0.01837   -0.00321
 45 O    -0.03399   -0.06147    0.01480
 46 O     0.03399   -0.06147    0.01480
 47 O     0.00000   -0.02935   -0.01487
 48 O    -0.00000    0.02115    1.17407
 49 Pt    0.00000   -0.02265   -0.38544
 50 Pt   -0.00000    0.02101   -0.43606
 51 O    -1.68943   -0.01395   -0.71948
 52 O     1.68943   -0.01395   -0.71948
 53 O     0.00000   -0.02358   -1.39928
 54 O     0.00000   -0.00113    1.77783
 55 Pt    0.00000   -0.01200    0.51537
 56 Pt   -0.00000    0.16566    0.62084
 57 O    -1.61279    0.01373    0.09846
 58 O     1.61279    0.01373    0.09846
 59 O     0.00000   -0.02119   -0.51158
 60 O     0.00000   -0.04934   -0.04713
 61 Pt   -0.00000    0.01108   -0.00291
 62 Pt   -0.00000    0.01848   -0.00466
 63 O    -0.00274   -0.00799    0.00144
 64 O     0.00274   -0.00799    0.00144
 65 O     0.00000   -0.00704   -0.00101
 66 O     0.00000    0.00584    0.00278
 67 Pt   -0.00000    0.00867    0.00573
 68 Pt   -0.00000    0.08193   -0.03120
 69 O    -0.00350   -0.00590   -0.00107
 70 O     0.00350   -0.00590   -0.00107
 71 O    -0.00000    0.00953   -0.01417
 72 N     0.00000   -0.46694   -0.41774
 73 N    -0.00000    0.34191    0.60409

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   PtO           
            Pt   N                 
        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    2.396468   24.246724    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.850776   23.279464    ( 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  13:28:47  -3.07   +inf  -414.256742    3      1      
iter:   2  13:30:54  -3.83  -3.38  -414.311302    3      1      
iter:   3  13:33:02  -4.24  -2.71  -414.250783    3      1      
iter:   4  13:35:11  -4.70  -3.65  -414.252920    3      1      
iter:   5  13:37:21  -4.64  -3.96  -414.251285    3      1      
iter:   6  13:39:30  -5.11  -4.16  -414.251670    2      1      
iter:   7  13:41:41  -5.52  -4.12  -414.251586    2      1      
iter:   8  13:43:53  -5.84  -4.35  -414.251668    2      1      
iter:   9  13:46:04  -6.01  -4.40  -414.252216    2      1      
iter:  10  13:48:14  -6.05  -3.95  -414.251498    2      1      
iter:  11  13:50:24  -6.52  -4.54  -414.251633    2      1      
iter:  12  13:52:34  -6.96  -4.86  -414.251555    2      1      
iter:  13  13:54:45  -7.18  -4.80  -414.251568    2      1      
iter:  14  13:56:54  -7.23  -4.77  -414.251535    2      1      
iter:  15  13:59:05  -7.59  -4.88  -414.251562    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961107, -32.946959, 0.277093) |e|*Ang

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

Kinetic:        +18.970264
Potential:     -136.796181
External:        +0.000000
XC:            -306.185745
Entropy (-ST):   -1.547584
Local:          +10.533891
--------------------------
Free energy:   -415.025354
Extrapolated:  -414.251562

Fermi level: -6.30266

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38537    0.15461
  0   340     -6.35894    0.14158
  0   341     -6.35705    0.14061
  0   342     -6.32096    0.12125

  1   339     -6.28067    0.19789
  1   340     -6.23039    0.14524
  1   341     -6.18918    0.10812
  1   342     -6.18893    0.10792



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17340
  1 Pt   -0.00000    0.00960   -0.38032
  2 Pt    0.00000   -0.01909   -0.43633
  3 O    -1.68113   -0.00018   -0.71925
  4 O     1.68113   -0.00018   -0.71925
  5 O     0.00000   -0.01116   -1.41092
  6 O     0.00000   -0.00271    1.77882
  7 Pt   -0.00000    0.01289    0.45375
  8 Pt    0.00000   -0.04138    0.80317
  9 O    -1.58071    0.00115    0.04928
 10 O     1.58071    0.00115    0.04928
 11 O     0.00000   -0.00881   -0.55729
 12 O    -0.00000    0.00855    0.03260
 13 Pt   -0.00000    0.04165   -0.00064
 14 Pt    0.00000   -0.02229    0.00236
 15 O    -0.00218    0.00947    0.00226
 16 O     0.00218    0.00947    0.00226
 17 O     0.00000   -0.02286   -0.15595
 18 O     0.00000   -0.00002    0.01230
 19 Pt    0.00000   -0.03941   -0.00575
 20 Pt    0.00000   -0.01902    0.06724
 21 O    -0.06882    0.10248    0.06369
 22 O     0.06882    0.10248    0.06369
 23 O     0.00000   -0.01607   -0.00974
 24 O     0.00000    0.00033    1.15180
 25 Pt   -0.00000    0.00471   -0.38311
 26 Pt    0.00000    0.00001   -0.43434
 27 O    -1.68962    0.01381   -0.71862
 28 O     1.68962    0.01381   -0.71862
 29 O    -0.00000    0.05805   -1.38270
 30 O     0.00000   -0.00534    1.84042
 31 Pt   -0.00000    0.02022    0.51381
 32 Pt    0.00000   -0.18510    0.54305
 33 O    -1.61343   -0.01973    0.06832
 34 O     1.61343   -0.01973    0.06832
 35 O     0.00000   -0.03265   -0.51951
 36 O    -0.00000    0.04884   -0.04285
 37 Pt    0.00000   -0.06038   -0.00703
 38 Pt    0.00000   -0.00399   -0.00888
 39 O     0.00739    0.01373    0.01441
 40 O    -0.00739    0.01373    0.01441
 41 O     0.00000    0.00484   -0.00579
 42 O    -0.00000    0.01830   -0.01111
 43 Pt   -0.00000    0.00689   -0.01555
 44 Pt   -0.00000    0.02097   -0.00274
 45 O    -0.03176   -0.05921    0.01076
 46 O     0.03176   -0.05921    0.01076
 47 O     0.00000   -0.02956   -0.01459
 48 O    -0.00000    0.02118    1.17373
 49 Pt    0.00000   -0.02273   -0.38561
 50 Pt   -0.00000    0.02101   -0.43610
 51 O    -1.68791   -0.01395   -0.71964
 52 O     1.68791   -0.01395   -0.71964
 53 O     0.00000   -0.02354   -1.39966
 54 O     0.00000   -0.00115    1.78337
 55 Pt    0.00000   -0.01198    0.51712
 56 Pt   -0.00000    0.16575    0.62173
 57 O    -1.61234    0.01382    0.09883
 58 O     1.61234    0.01382    0.09883
 59 O     0.00000   -0.02118   -0.51121
 60 O     0.00000   -0.04900   -0.04724
 61 Pt   -0.00000    0.01080   -0.00020
 62 Pt   -0.00000    0.01848   -0.00329
 63 O    -0.00275   -0.00802    0.00161
 64 O     0.00275   -0.00802    0.00161
 65 O     0.00000   -0.00719    0.00767
 66 O     0.00000    0.00587    0.00187
 67 Pt   -0.00000    0.00846    0.00672
 68 Pt   -0.00000    0.08132   -0.03105
 69 O    -0.00519   -0.00583   -0.00117
 70 O     0.00519   -0.00583   -0.00117
 71 O    -0.00000    0.00963   -0.01473
 72 N     0.00000   -0.44527   -0.40473
 73 N    -0.00000    0.37208    0.56416

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   PtO           
            Pt   N                 
        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    2.404039   24.254164    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.869497   23.281420    ( 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  14:07:53  -3.06   +inf  -414.366168    3      1      
iter:   2  14:10:02  -2.84  -2.57  -417.372670    3      1      
iter:   3  14:12:09  -3.22  -1.88  -414.273419    3      1      
iter:   4  14:14:20  -3.75  -2.95  -414.256226    3      1      
iter:   5  14:16:29  -4.27  -3.66  -414.252457    3      1      
iter:   6  14:18:41  -4.56  -3.76  -414.251704    3      1      
iter:   7  14:20:54  -5.01  -4.06  -414.251828    2      1      
iter:   8  14:23:07  -5.36  -4.07  -414.251930    2      1      
iter:   9  14:25:18  -5.79  -4.17  -414.251871    2      1      
iter:  10  14:27:28  -5.95  -4.42  -414.251926    2      1      
iter:  11  14:29:40  -5.97  -4.35  -414.251635    2      1      
iter:  12  14:31:50  -6.71  -4.55  -414.251989    2      1      
iter:  13  14:34:00  -6.81  -4.53  -414.251771    2      1      
iter:  14  14:36:11  -7.31  -4.79  -414.251799    2      1      
iter:  15  14:38:24  -7.25  -4.51  -414.251826    2      1      
iter:  16  14:40:24  -7.39  -4.53  -414.251769    2      1      
iter:  17  14:42:22  -7.82  -5.19  -414.251768    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961138, -32.943022, 0.278921) |e|*Ang

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

Kinetic:        +19.050482
Potential:     -136.865171
External:        +0.000000
XC:            -306.196644
Entropy (-ST):   -1.547302
Local:          +10.533216
--------------------------
Free energy:   -415.025418
Extrapolated:  -414.251768

Fermi level: -6.30172

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38462    0.15470
  0   340     -6.35768    0.14141
  0   341     -6.35578    0.14044
  0   342     -6.32033    0.12142

  1   339     -6.27963    0.19778
  1   340     -6.22920    0.14500
  1   341     -6.18834    0.10820
  1   342     -6.18801    0.10794



Forces in eV/Ang:
  0 O     0.00000   -0.01748    1.17357
  1 Pt   -0.00000    0.00960   -0.38052
  2 Pt    0.00000   -0.01910   -0.43634
  3 O    -1.68282   -0.00020   -0.71932
  4 O     1.68282   -0.00020   -0.71932
  5 O     0.00000   -0.01102   -1.41057
  6 O     0.00000   -0.00268    1.77433
  7 Pt   -0.00000    0.01288    0.45200
  8 Pt    0.00000   -0.04179    0.80163
  9 O    -1.58062    0.00123    0.04919
 10 O     1.58062    0.00123    0.04919
 11 O     0.00000   -0.00879   -0.55767
 12 O    -0.00000    0.00751    0.03249
 13 Pt   -0.00000    0.04210   -0.00219
 14 Pt    0.00000   -0.02216    0.00085
 15 O    -0.00188    0.00930    0.00246
 16 O     0.00188    0.00930    0.00246
 17 O     0.00000   -0.04223   -0.14965
 18 O     0.00000    0.00036    0.01301
 19 Pt    0.00000   -0.03973   -0.00447
 20 Pt   -0.00000    0.02261    0.06655
 21 O    -0.07104    0.10563    0.07101
 22 O     0.07104    0.10563    0.07101
 23 O     0.00000   -0.01599   -0.00868
 24 O     0.00000    0.00037    1.15198
 25 Pt   -0.00000    0.00469   -0.38331
 26 Pt    0.00000    0.00001   -0.43434
 27 O    -1.69128    0.01381   -0.71869
 28 O     1.69128    0.01381   -0.71869
 29 O    -0.00000    0.05821   -1.38260
 30 O     0.00000   -0.00539    1.83588
 31 Pt   -0.00000    0.02018    0.51195
 32 Pt    0.00000   -0.18546    0.54165
 33 O    -1.61339   -0.01971    0.06833
 34 O     1.61339   -0.01971    0.06833
 35 O     0.00000   -0.03263   -0.51996
 36 O    -0.00000    0.04812   -0.04306
 37 Pt    0.00000   -0.05568   -0.00836
 38 Pt    0.00000   -0.00386   -0.00995
 39 O     0.00792    0.01380    0.01463
 40 O    -0.00792    0.01380    0.01463
 41 O     0.00000    0.00459   -0.01363
 42 O    -0.00000    0.01822   -0.01049
 43 Pt   -0.00000    0.00709   -0.01885
 44 Pt   -0.00000    0.02343   -0.00549
 45 O    -0.02793   -0.05569    0.00566
 46 O     0.02793   -0.05569    0.00566
 47 O     0.00000   -0.02947   -0.01362
 48 O    -0.00000    0.02123    1.17389
 49 Pt    0.00000   -0.02277   -0.38588
 50 Pt   -0.00000    0.02102   -0.43616
 51 O    -1.68958   -0.01393   -0.71972
 52 O     1.68958   -0.01393   -0.71972
 53 O     0.00000   -0.02354   -1.39925
 54 O     0.00000   -0.00114    1.77879
 55 Pt    0.00000   -0.01197    0.51539
 56 Pt   -0.00000    0.16591    0.62003
 57 O    -1.61220    0.01382    0.09884
 58 O     1.61220    0.01382    0.09884
 59 O     0.00000   -0.02121   -0.51161
 60 O     0.00000   -0.04777   -0.04701
 61 Pt   -0.00000    0.01068   -0.00153
 62 Pt   -0.00000    0.01818   -0.00446
 63 O    -0.00252   -0.00792    0.00186
 64 O     0.00252   -0.00792    0.00186
 65 O     0.00000   -0.00670    0.00110
 66 O     0.00000    0.00575    0.00261
 67 Pt   -0.00000    0.00860    0.00588
 68 Pt   -0.00000    0.08154   -0.03167
 69 O    -0.00401   -0.00565    0.00011
 70 O     0.00401   -0.00565    0.00011
 71 O    -0.00000    0.00959   -0.01442
 72 N     0.00000   -0.37577   -0.32284
 73 N    -0.00000    0.19926    0.50952

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.412457   24.261557    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.887979   23.284260    ( 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  14:47:02  -3.08   +inf  -414.250868    3      1      
iter:   2  14:49:12  -3.96  -3.79  -414.253993    3      1      
iter:   3  14:51:23  -4.47  -3.73  -414.251056    3      1      
iter:   4  14:53:32  -4.60  -3.92  -414.254949    3      1      
iter:   5  14:55:42  -4.77  -3.32  -414.251977    3      1      
iter:   6  14:57:54  -5.30  -3.77  -414.251493    2      1      
iter:   7  15:00:07  -5.67  -4.29  -414.251377    2      1      
iter:   8  15:02:17  -5.68  -4.25  -414.251320    2      1      
iter:   9  15:04:28  -6.05  -4.37  -414.251402    2      1      
iter:  10  15:06:38  -6.50  -4.87  -414.251256    2      1      
iter:  11  15:08:47  -6.96  -4.71  -414.251475    2      1      
iter:  12  15:10:58  -7.32  -4.63  -414.251387    2      1      
iter:  13  15:13:09  -7.42  -4.83  -414.251346    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961111, -32.939201, 0.280615) |e|*Ang

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

Kinetic:        +19.171640
Potential:     -136.971256
External:        +0.000000
XC:            -306.211670
Entropy (-ST):   -1.547190
Local:          +10.533535
--------------------------
Free energy:   -415.024941
Extrapolated:  -414.251346

Fermi level: -6.30045

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38345    0.15475
  0   340     -6.35621    0.14131
  0   341     -6.35430    0.14033
  0   342     -6.31931    0.12156

  1   339     -6.27839    0.19781
  1   340     -6.22778    0.14486
  1   341     -6.18717    0.10829
  1   342     -6.18676    0.10796



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17394
  1 Pt   -0.00000    0.00957   -0.38039
  2 Pt    0.00000   -0.01909   -0.43617
  3 O    -1.68329   -0.00018   -0.71898
  4 O     1.68329   -0.00018   -0.71898
  5 O     0.00000   -0.01085   -1.41014
  6 O     0.00000   -0.00260    1.77073
  7 Pt   -0.00000    0.01283    0.45103
  8 Pt    0.00000   -0.04218    0.80110
  9 O    -1.58120    0.00124    0.04870
 10 O     1.58120    0.00124    0.04870
 11 O     0.00000   -0.00880   -0.55800
 12 O    -0.00000    0.00623    0.03260
 13 Pt   -0.00000    0.04290   -0.00434
 14 Pt    0.00000   -0.02219   -0.00038
 15 O    -0.00189    0.00918    0.00205
 16 O     0.00189    0.00918    0.00205
 17 O     0.00000   -0.06140   -0.14471
 18 O     0.00000    0.00044    0.01340
 19 Pt    0.00000   -0.03964   -0.00304
 20 Pt   -0.00000    0.06629    0.07008
 21 O    -0.07372    0.11040    0.07888
 22 O     0.07372    0.11040    0.07888
 23 O     0.00000   -0.01630   -0.00752
 24 O     0.00000    0.00040    1.15233
 25 Pt   -0.00000    0.00472   -0.38316
 26 Pt    0.00000   -0.00002   -0.43411
 27 O    -1.69175    0.01381   -0.71832
 28 O     1.69175    0.01381   -0.71832
 29 O    -0.00000    0.05828   -1.38253
 30 O     0.00000   -0.00546    1.83235
 31 Pt   -0.00000    0.02016    0.51080
 32 Pt    0.00000   -0.18564    0.54149
 33 O    -1.61401   -0.01964    0.06792
 34 O     1.61401   -0.01964    0.06792
 35 O     0.00000   -0.03262   -0.52031
 36 O    -0.00000    0.04817   -0.04368
 37 Pt    0.00000   -0.05210   -0.00977
 38 Pt    0.00000   -0.00365   -0.01091
 39 O     0.00810    0.01380    0.01419
 40 O    -0.00810    0.01380    0.01419
 41 O     0.00000    0.00464   -0.01829
 42 O    -0.00000    0.01854   -0.01020
 43 Pt   -0.00000    0.00715   -0.02255
 44 Pt   -0.00000    0.02669   -0.00892
 45 O    -0.02391   -0.05304   -0.00131
 46 O     0.02391   -0.05304   -0.00131
 47 O     0.00000   -0.02914   -0.01288
 48 O    -0.00000    0.02129    1.17421
 49 Pt    0.00000   -0.02283   -0.38576
 50 Pt   -0.00000    0.02104   -0.43599
 51 O    -1.69005   -0.01394   -0.71937
 52 O     1.69005   -0.01394   -0.71937
 53 O     0.00000   -0.02350   -1.39884
 54 O     0.00000   -0.00115    1.77538
 55 Pt    0.00000   -0.01194    0.51445
 56 Pt   -0.00000    0.16587    0.61972
 57 O    -1.61276    0.01385    0.09840
 58 O     1.61276    0.01385    0.09840
 59 O     0.00000   -0.02122   -0.51183
 60 O     0.00000   -0.04726   -0.04717
 61 Pt   -0.00000    0.01060   -0.00322
 62 Pt   -0.00000    0.01795   -0.00556
 63 O    -0.00260   -0.00779    0.00146
 64 O     0.00260   -0.00779    0.00146
 65 O     0.00000   -0.00616   -0.00257
 66 O     0.00000    0.00553    0.00288
 67 Pt   -0.00000    0.00855    0.00455
 68 Pt   -0.00000    0.08181   -0.03122
 69 O    -0.00342   -0.00561   -0.00055
 70 O     0.00342   -0.00561   -0.00055
 71 O    -0.00000    0.00968   -0.01390
 72 N     0.00000   -0.34175   -0.33207
 73 N    -0.00000    0.11109    0.36642

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.421071   24.268533    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.906282   23.287048    ( 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  15:29:16  -3.09   +inf  -414.281351    3      1      
iter:   2  15:31:24  -3.32  -2.85  -415.177226    3      1      
iter:   3  15:33:28  -3.63  -2.14  -414.249271    3      1      
iter:   4  15:35:35  -4.34  -3.59  -414.251183    3      1      
iter:   5  15:37:45  -4.83  -3.90  -414.249126    2      1      
iter:   6  15:39:51  -4.88  -3.98  -414.248779    3      1      
iter:   7  15:41:56  -5.27  -4.02  -414.249143    2      1      
iter:   8  15:44:05  -5.55  -4.35  -414.249188    2      1      
iter:   9  15:46:14  -6.00  -4.14  -414.249211    2      1      
iter:  10  15:48:20  -6.19  -4.14  -414.249543    2      1      
iter:  11  15:50:25  -6.06  -4.35  -414.248672    2      1      
iter:  12  15:52:32  -6.45  -4.34  -414.249182    2      1      
iter:  13  15:54:39  -6.89  -4.82  -414.249117    2      1      
iter:  14  15:56:45  -7.11  -5.04  -414.249130    2      1      
iter:  15  15:58:51  -7.65  -4.88  -414.249153    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961075, -32.934765, 0.282050) |e|*Ang

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

Kinetic:        +19.289806
Potential:     -137.070841
External:        +0.000000
XC:            -306.227631
Entropy (-ST):   -1.546915
Local:          +10.532970
--------------------------
Free energy:   -415.022610
Extrapolated:  -414.249153

Fermi level: -6.30011

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38329    0.15483
  0   340     -6.35546    0.14110
  0   341     -6.35355    0.14011
  0   342     -6.31924    0.12171

  1   339     -6.27781    0.19754
  1   340     -6.22721    0.14462
  1   341     -6.18690    0.10835
  1   342     -6.18638    0.10792



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17408
  1 Pt   -0.00000    0.00946   -0.38147
  2 Pt    0.00000   -0.01907   -0.43707
  3 O    -1.68571   -0.00021   -0.71885
  4 O     1.68571   -0.00021   -0.71885
  5 O     0.00000   -0.01077   -1.40934
  6 O     0.00000   -0.00268    1.76254
  7 Pt   -0.00000    0.01293    0.44848
  8 Pt    0.00000   -0.04267    0.79963
  9 O    -1.58123    0.00132    0.04832
 10 O     1.58123    0.00132    0.04832
 11 O     0.00000   -0.00880   -0.55781
 12 O    -0.00000    0.00544    0.03335
 13 Pt   -0.00000    0.04423   -0.00603
 14 Pt    0.00000   -0.02179   -0.00157
 15 O    -0.00128    0.00933    0.00193
 16 O     0.00128    0.00933    0.00193
 17 O     0.00000   -0.07918   -0.14340
 18 O    -0.00000    0.00052    0.01468
 19 Pt    0.00000   -0.03946   -0.00063
 20 Pt   -0.00000    0.10371    0.06849
 21 O    -0.07503    0.11311    0.08657
 22 O     0.07503    0.11311    0.08657
 23 O     0.00000   -0.01650   -0.00651
 24 O     0.00000    0.00044    1.15250
 25 Pt   -0.00000    0.00479   -0.38432
 26 Pt    0.00000    0.00004   -0.43505
 27 O    -1.69415    0.01383   -0.71821
 28 O     1.69415    0.01383   -0.71821
 29 O    -0.00000    0.05843   -1.38222
 30 O     0.00000   -0.00533    1.82382
 31 Pt   -0.00000    0.02004    0.50837
 32 Pt    0.00000   -0.18567    0.54037
 33 O    -1.61400   -0.01967    0.06770
 34 O     1.61400   -0.01967    0.06770
 35 O     0.00000   -0.03259   -0.52010
 36 O    -0.00000    0.04825   -0.04390
 37 Pt    0.00000   -0.04855   -0.01132
 38 Pt    0.00000   -0.00401   -0.01188
 39 O     0.00876    0.01370    0.01403
 40 O    -0.00876    0.01370    0.01403
 41 O     0.00000    0.00430   -0.02415
 42 O    -0.00000    0.01878   -0.00922
 43 Pt   -0.00000    0.00701   -0.02455
 44 Pt   -0.00000    0.02978   -0.01071
 45 O    -0.01944   -0.04964   -0.00581
 46 O     0.01944   -0.04964   -0.00581
 47 O     0.00000   -0.02896   -0.01176
 48 O    -0.00000    0.02128    1.17440
 49 Pt    0.00000   -0.02287   -0.38688
 50 Pt   -0.00000    0.02098   -0.43692
 51 O    -1.69249   -0.01393   -0.71922
 52 O     1.69249   -0.01393   -0.71922
 53 O     0.00000   -0.02345   -1.39808
 54 O     0.00000   -0.00122    1.76681
 55 Pt    0.00000   -0.01196    0.51174
 56 Pt   -0.00000    0.16584    0.61808
 57 O    -1.61270    0.01392    0.09801
 58 O     1.61270    0.01392    0.09801
 59 O     0.00000   -0.02124   -0.51185
 60 O     0.00000   -0.04687   -0.04707
 61 Pt   -0.00000    0.01035   -0.00434
 62 Pt   -0.00000    0.01790   -0.00646
 63 O    -0.00179   -0.00787    0.00131
 64 O     0.00179   -0.00787    0.00131
 65 O     0.00000   -0.00576   -0.00608
 66 O     0.00000    0.00536    0.00394
 67 Pt   -0.00000    0.00855    0.00489
 68 Pt   -0.00000    0.08163   -0.03023
 69 O    -0.00289   -0.00529    0.00024
 70 O     0.00289   -0.00529    0.00024
 71 O    -0.00000    0.00983   -0.01315
 72 N     0.00000   -0.31000   -0.26258
 73 N     0.00000   -0.00131    0.32301

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.430169   24.275601    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.924147   23.290423    ( 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  16:05:03  -3.05   +inf  -414.553520    3      1      
iter:   2  16:07:11  -2.44  -2.36  -421.622527    4      1      
iter:   3  16:09:16  -2.86  -1.73  -414.338165    4      1      
iter:   4  16:11:24  -3.30  -2.65  -414.256562    3      1      
iter:   5  16:13:32  -3.94  -3.36  -414.249055    3      1      
iter:   6  16:15:38  -4.37  -3.49  -414.247370    3      1      
iter:   7  16:17:45  -4.71  -3.61  -414.246099    2      1      
iter:   8  16:19:52  -5.05  -4.12  -414.246092    3      1      
iter:   9  16:21:58  -5.53  -4.06  -414.245737    2      1      
iter:  10  16:24:04  -5.81  -4.22  -414.245925    2      1      
iter:  11  16:26:12  -6.09  -4.32  -414.245082    3      1      
iter:  12  16:28:20  -6.37  -4.20  -414.245923    3      1      
iter:  13  16:30:26  -6.57  -4.41  -414.245668    2      1      
iter:  14  16:32:32  -6.78  -4.72  -414.245660    2      1      
iter:  15  16:34:35  -7.16  -4.70  -414.245664    2      1      
iter:  16  16:36:33  -7.60  -4.93  -414.245655    2      1      

Converged after 16 iterations.

Dipole moment: (-55.960964, -32.930178, 0.281690) |e|*Ang

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

Kinetic:        +19.400834
Potential:     -137.168224
External:        +0.000000
XC:            -306.237373
Entropy (-ST):   -1.546922
Local:          +10.532568
--------------------------
Free energy:   -415.019116
Extrapolated:  -414.245655

Fermi level: -6.29979

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38284    0.15477
  0   340     -6.35551    0.14129
  0   341     -6.35361    0.14031
  0   342     -6.31888    0.12168

  1   339     -6.27768    0.19775
  1   340     -6.22712    0.14485
  1   341     -6.18648    0.10826
  1   342     -6.18616    0.10799



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17375
  1 Pt   -0.00000    0.00941   -0.38127
  2 Pt    0.00000   -0.01908   -0.43739
  3 O    -1.68337   -0.00018   -0.71938
  4 O     1.68337   -0.00018   -0.71938
  5 O     0.00000   -0.01067   -1.40971
  6 O     0.00000   -0.00267    1.76980
  7 Pt   -0.00000    0.01296    0.45052
  8 Pt    0.00000   -0.04305    0.80090
  9 O    -1.58108    0.00142    0.04852
 10 O     1.58108    0.00142    0.04852
 11 O     0.00000   -0.00883   -0.55733
 12 O    -0.00000    0.00452    0.03356
 13 Pt   -0.00000    0.04568   -0.00504
 14 Pt    0.00000   -0.02160   -0.00034
 15 O    -0.00182    0.00942    0.00205
 16 O     0.00182    0.00942    0.00205
 17 O     0.00000   -0.09584   -0.14224
 18 O    -0.00000    0.00081    0.01427
 19 Pt    0.00000   -0.03912    0.00061
 20 Pt   -0.00000    0.14096    0.06551
 21 O    -0.07782    0.11840    0.09277
 22 O     0.07782    0.11840    0.09277
 23 O     0.00000   -0.01611   -0.00646
 24 O     0.00000    0.00047    1.15214
 25 Pt   -0.00000    0.00485   -0.38412
 26 Pt    0.00000    0.00003   -0.43530
 27 O    -1.69181    0.01381   -0.71874
 28 O     1.69181    0.01381   -0.71874
 29 O    -0.00000    0.05849   -1.38304
 30 O     0.00000   -0.00522    1.83122
 31 Pt   -0.00000    0.01996    0.51038
 32 Pt    0.00000   -0.18559    0.54239
 33 O    -1.61390   -0.01971    0.06800
 34 O     1.61390   -0.01971    0.06800
 35 O     0.00000   -0.03252   -0.51960
 36 O    -0.00000    0.04976   -0.04540
 37 Pt    0.00000   -0.04564   -0.00999
 38 Pt    0.00000   -0.00410   -0.01072
 39 O     0.00845    0.01352    0.01421
 40 O    -0.00845    0.01352    0.01421
 41 O     0.00000    0.00472   -0.01913
 42 O    -0.00000    0.01861   -0.00984
 43 Pt   -0.00000    0.00644   -0.02632
 44 Pt   -0.00000    0.03073   -0.01123
 45 O    -0.01794   -0.05008   -0.00918
 46 O     0.01794   -0.05008   -0.00918
 47 O     0.00000   -0.02895   -0.01117
 48 O    -0.00000    0.02130    1.17402
 49 Pt    0.00000   -0.02293   -0.38662
 50 Pt   -0.00000    0.02100   -0.43721
 51 O    -1.69014   -0.01393   -0.71976
 52 O     1.69014   -0.01393   -0.71976
 53 O     0.00000   -0.02336   -1.39858
 54 O     0.00000   -0.00133    1.77419
 55 Pt    0.00000   -0.01196    0.51376
 56 Pt   -0.00000    0.16563    0.61977
 57 O    -1.61248    0.01395    0.09823
 58 O     1.61248    0.01395    0.09823
 59 O     0.00000   -0.02129   -0.51132
 60 O     0.00000   -0.04779   -0.04812
 61 Pt   -0.00000    0.01012   -0.00291
 62 Pt   -0.00000    0.01779   -0.00540
 63 O    -0.00227   -0.00783    0.00121
 64 O     0.00227   -0.00783    0.00121
 65 O     0.00000   -0.00587    0.00007
 66 O     0.00000    0.00538    0.00339
 67 Pt   -0.00000    0.00864    0.00455
 68 Pt   -0.00000    0.08223   -0.03071
 69 O    -0.00378   -0.00511    0.00041
 70 O     0.00378   -0.00511    0.00041
 71 O    -0.00000    0.00966   -0.01331
 72 N     0.00000   -0.24066   -0.17807
 73 N     0.00000   -0.13195    0.31587

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.440492   24.282614    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.941029   23.295669    ( 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  16:41:10  -3.10   +inf  -414.283344    3      1      
iter:   2  16:43:20  -3.23  -2.79  -415.467332    3      1      
iter:   3  16:45:32  -3.55  -2.08  -414.243477    3      1      
iter:   4  16:47:43  -4.31  -3.57  -414.244166    3      1      
iter:   5  16:49:53  -4.78  -3.86  -414.241889    3      1      
iter:   6  16:52:05  -4.94  -3.91  -414.241707    3      1      
iter:   7  16:54:17  -5.25  -4.04  -414.241811    2      1      
iter:   8  16:56:28  -5.61  -4.21  -414.241996    2      1      
iter:   9  16:58:38  -5.98  -4.37  -414.241981    2      1      
iter:  10  17:00:50  -6.21  -4.23  -414.241886    2      1      
iter:  11  17:03:01  -6.18  -4.71  -414.242142    2      1      
iter:  12  17:05:11  -6.72  -4.62  -414.241789    2      1      
iter:  13  17:07:21  -7.12  -4.70  -414.241929    2      1      
iter:  14  17:09:31  -7.44  -4.99  -414.241927    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961111, -32.924692, 0.281284) |e|*Ang

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

Kinetic:        +19.617174
Potential:     -137.349313
External:        +0.000000
XC:            -306.268958
Entropy (-ST):   -1.546925
Local:          +10.532632
--------------------------
Free energy:   -415.015389
Extrapolated:  -414.241927

Fermi level: -6.30016

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38321    0.15477
  0   340     -6.35594    0.14132
  0   341     -6.35404    0.14034
  0   342     -6.31949    0.12182

  1   339     -6.27798    0.19768
  1   340     -6.22748    0.14485
  1   341     -6.18675    0.10818
  1   342     -6.18667    0.10812



Forces in eV/Ang:
  0 O     0.00000   -0.01781    1.17376
  1 Pt   -0.00000    0.00924   -0.38113
  2 Pt    0.00000   -0.01910   -0.43707
  3 O    -1.68351   -0.00017   -0.71919
  4 O     1.68351   -0.00017   -0.71919
  5 O     0.00000   -0.01055   -1.40946
  6 O     0.00000   -0.00264    1.77004
  7 Pt   -0.00000    0.01290    0.45092
  8 Pt    0.00000   -0.04336    0.80029
  9 O    -1.58115    0.00136    0.04864
 10 O     1.58115    0.00136    0.04864
 11 O     0.00000   -0.00882   -0.55730
 12 O    -0.00000    0.00378    0.03567
 13 Pt   -0.00000    0.04807   -0.00540
 14 Pt    0.00000   -0.02142    0.00023
 15 O    -0.00176    0.00940    0.00244
 16 O     0.00176    0.00940    0.00244
 17 O     0.00000   -0.10954   -0.14423
 18 O    -0.00000    0.00089    0.01445
 19 Pt    0.00000   -0.03940    0.00301
 20 Pt   -0.00000    0.16943    0.06114
 21 O    -0.08110    0.12391    0.09844
 22 O     0.08110    0.12391    0.09844
 23 O     0.00000   -0.01577   -0.00698
 24 O     0.00000    0.00048    1.15212
 25 Pt   -0.00000    0.00501   -0.38396
 26 Pt    0.00000    0.00003   -0.43491
 27 O    -1.69191    0.01380   -0.71855
 28 O     1.69191    0.01380   -0.71855
 29 O    -0.00000    0.05849   -1.38304
 30 O     0.00000   -0.00517    1.83157
 31 Pt   -0.00000    0.01997    0.51070
 32 Pt    0.00000   -0.18512    0.54285
 33 O    -1.61401   -0.01958    0.06819
 34 O     1.61401   -0.01958    0.06819
 35 O     0.00000   -0.03248   -0.51958
 36 O    -0.00000    0.05140   -0.04572
 37 Pt    0.00000   -0.04423   -0.01003
 38 Pt    0.00000   -0.00424   -0.01010
 39 O     0.00877    0.01350    0.01464
 40 O    -0.00877    0.01350    0.01464
 41 O     0.00000    0.00493   -0.02072
 42 O    -0.00000    0.01846   -0.00980
 43 Pt   -0.00000    0.00686   -0.02730
 44 Pt   -0.00000    0.03144   -0.01191
 45 O    -0.01704   -0.05120   -0.01167
 46 O     0.01704   -0.05120   -0.01167
 47 O     0.00000   -0.02918   -0.01103
 48 O    -0.00000    0.02137    1.17399
 49 Pt    0.00000   -0.02297   -0.38636
 50 Pt   -0.00000    0.02102   -0.43686
 51 O    -1.69027   -0.01392   -0.71953
 52 O     1.69027   -0.01392   -0.71953
 53 O     0.00000   -0.02327   -1.39838
 54 O     0.00000   -0.00141    1.77451
 55 Pt    0.00000   -0.01194    0.51420
 56 Pt   -0.00000    0.16509    0.61994
 57 O    -1.61258    0.01397    0.09829
 58 O     1.61258    0.01397    0.09829
 59 O     0.00000   -0.02133   -0.51127
 60 O     0.00000   -0.04875   -0.04806
 61 Pt   -0.00000    0.00980   -0.00366
 62 Pt   -0.00000    0.01777   -0.00498
 63 O    -0.00212   -0.00782    0.00158
 64 O     0.00212   -0.00782    0.00158
 65 O     0.00000   -0.00603   -0.00069
 66 O     0.00000    0.00558    0.00343
 67 Pt   -0.00000    0.00857    0.00533
 68 Pt   -0.00000    0.08385   -0.03023
 69 O    -0.00382   -0.00513    0.00069
 70 O     0.00382   -0.00513    0.00069
 71 O    -0.00000    0.00982   -0.01373
 72 N     0.00000   -0.17624   -0.03430
 73 N     0.00000   -0.25011    0.11278

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.451626   24.289688    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.959687   23.303306    ( 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  17:16:54  -2.99   +inf  -414.318033    3      1      
iter:   2  17:18:59  -2.97  -2.65  -416.429086    3      1      
iter:   3  17:21:07  -3.32  -1.97  -414.241024    3      1      
iter:   4  17:23:16  -3.98  -3.20  -414.240789    3      1      
iter:   5  17:25:22  -4.57  -3.61  -414.237259    3      1      
iter:   6  17:27:29  -4.75  -3.70  -414.236009    3      1      
iter:   7  17:29:35  -4.87  -3.94  -414.235650    2      1      
iter:   8  17:31:44  -5.19  -3.98  -414.236036    3      1      
iter:   9  17:33:50  -5.62  -4.20  -414.235996    2      1      
iter:  10  17:35:57  -5.92  -4.36  -414.235971    2      1      
iter:  11  17:38:04  -5.88  -4.45  -414.236178    2      1      
iter:  12  17:40:10  -6.54  -4.53  -414.235845    2      1      
iter:  13  17:42:16  -6.60  -4.44  -414.236073    2      1      
iter:  14  17:44:23  -6.58  -4.59  -414.235948    2      1      
iter:  15  17:46:29  -6.74  -4.13  -414.235960    2      1      
iter:  16  17:48:37  -7.34  -4.78  -414.235914    2      1      
iter:  17  17:50:44  -7.27  -5.09  -414.235904    2      1      
iter:  18  17:52:52  -7.62  -5.16  -414.236013    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961127, -32.919526, 0.280822) |e|*Ang

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

Kinetic:        +20.236128
Potential:     -137.858340
External:        +0.000000
XC:            -306.374217
Entropy (-ST):   -1.546870
Local:          +10.533852
--------------------------
Free energy:   -415.009448
Extrapolated:  -414.236013

Fermi level: -6.30031

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38335    0.15476
  0   340     -6.35618    0.14136
  0   341     -6.35428    0.14039
  0   342     -6.31981    0.12191

  1   339     -6.27820    0.19775
  1   340     -6.22772    0.14492
  1   341     -6.18694    0.10821
  1   342     -6.18678    0.10808



Forces in eV/Ang:
  0 O     0.00000   -0.01788    1.17368
  1 Pt   -0.00000    0.00898   -0.38115
  2 Pt    0.00000   -0.01908   -0.43702
  3 O    -1.68329   -0.00020   -0.71925
  4 O     1.68329   -0.00020   -0.71925
  5 O     0.00000   -0.01045   -1.40959
  6 O     0.00000   -0.00269    1.77108
  7 Pt   -0.00000    0.01309    0.45122
  8 Pt    0.00000   -0.04374    0.79963
  9 O    -1.58079    0.00135    0.04859
 10 O     1.58079    0.00135    0.04859
 11 O     0.00000   -0.00884   -0.55798
 12 O    -0.00000    0.00278    0.03700
 13 Pt   -0.00000    0.05053   -0.00600
 14 Pt    0.00000   -0.02107   -0.00024
 15 O    -0.00196    0.00937    0.00235
 16 O     0.00196    0.00937    0.00235
 17 O     0.00000   -0.12367   -0.14823
 18 O    -0.00000    0.00141    0.01440
 19 Pt    0.00000   -0.03966    0.00485
 20 Pt   -0.00000    0.20475    0.04980
 21 O    -0.08576    0.13222    0.10495
 22 O     0.08576    0.13222    0.10495
 23 O     0.00000   -0.01522   -0.00621
 24 O     0.00000    0.00049    1.15197
 25 Pt   -0.00000    0.00529   -0.38404
 26 Pt    0.00000    0.00002   -0.43503
 27 O    -1.69171    0.01384   -0.71860
 28 O     1.69171    0.01384   -0.71860
 29 O    -0.00000    0.05834   -1.38407
 30 O     0.00000   -0.00531    1.83224
 31 Pt   -0.00000    0.01976    0.51097
 32 Pt    0.00000   -0.18473    0.54402
 33 O    -1.61368   -0.01949    0.06822
 34 O     1.61368   -0.01949    0.06822
 35 O     0.00000   -0.03263   -0.52009
 36 O    -0.00000    0.05439   -0.04826
 37 Pt    0.00000   -0.04361   -0.01002
 38 Pt    0.00000   -0.00427   -0.00991
 39 O     0.00869    0.01343    0.01465
 40 O    -0.00869    0.01343    0.01465
 41 O     0.00000    0.00519   -0.01913
 42 O    -0.00000    0.01901   -0.01027
 43 Pt   -0.00000    0.00668   -0.02745
 44 Pt   -0.00000    0.03026   -0.00992
 45 O    -0.01974   -0.05732   -0.01288
 46 O     0.01974   -0.05732   -0.01288
 47 O     0.00000   -0.02905   -0.01017
 48 O    -0.00000    0.02140    1.17384
 49 Pt    0.00000   -0.02302   -0.38643
 50 Pt   -0.00000    0.02101   -0.43697
 51 O    -1.69011   -0.01392   -0.71960
 52 O     1.69011   -0.01392   -0.71960
 53 O     0.00000   -0.02300   -1.39904
 54 O     0.00000   -0.00122    1.77529
 55 Pt    0.00000   -0.01196    0.51448
 56 Pt   -0.00000    0.16471    0.62060
 57 O    -1.61228    0.01398    0.09809
 58 O     1.61228    0.01398    0.09809
 59 O     0.00000   -0.02117   -0.51183
 60 O     0.00000   -0.05072   -0.04981
 61 Pt   -0.00000    0.00956   -0.00452
 62 Pt   -0.00000    0.01750   -0.00481
 63 O    -0.00254   -0.00780    0.00161
 64 O     0.00254   -0.00780    0.00161
 65 O     0.00000   -0.00572    0.00251
 66 O     0.00000    0.00457    0.00303
 67 Pt   -0.00000    0.00885    0.00536
 68 Pt   -0.00000    0.08457   -0.03021
 69 O    -0.00451   -0.00479   -0.00022
 70 O     0.00451   -0.00479   -0.00022
 71 O    -0.00000    0.00940   -0.01381
 72 N    -0.00000    0.10694    0.43838
 73 N     0.00000   -0.48034   -0.36861

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.459277   24.292340    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.961923   23.297252    ( 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  18:01:44  -3.31   +inf  -414.369214    4      1      
iter:   2  18:03:50  -2.85  -2.56  -417.098424    4      1      
iter:   3  18:05:55  -3.22  -1.90  -414.280109    2      1      
iter:   4  18:08:04  -3.80  -2.91  -414.248858    3      1      
iter:   5  18:10:13  -4.18  -3.12  -414.241338    3      1      
iter:   6  18:12:23  -4.56  -3.61  -414.237357    3      1      
iter:   7  18:14:32  -4.51  -3.49  -414.233871    3      1      
iter:   8  18:16:43  -4.68  -3.63  -414.232849    3      1      
iter:   9  18:18:54  -4.77  -3.92  -414.231343    3      1      
iter:  10  18:21:06  -5.68  -3.98  -414.232415    3      1      
iter:  11  18:23:19  -5.50  -4.05  -414.231898    3      1      
iter:  12  18:25:29  -6.07  -3.85  -414.231906    2      1      
iter:  13  18:27:39  -5.85  -3.95  -414.231950    2      1      
iter:  14  18:29:51  -5.75  -4.35  -414.231983    2      1      
iter:  15  18:32:03  -6.09  -4.49  -414.232055    2      1      
iter:  16  18:34:15  -6.62  -4.57  -414.231709    2      1      
iter:  17  18:36:25  -6.86  -4.47  -414.231896    2      1      
iter:  18  18:38:35  -6.61  -4.56  -414.231871    2      1      
iter:  19  18:40:46  -6.78  -4.07  -414.231822    2      1      
iter:  20  18:42:59  -7.36  -4.79  -414.231813    2      1      
iter:  21  18:45:12  -7.34  -5.11  -414.231778    2      1      
iter:  22  18:47:24  -7.99  -5.20  -414.231789    2      1      

Converged after 22 iterations.

Dipole moment: (-55.961121, -32.916549, 0.279587) |e|*Ang

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

Kinetic:        +18.592787
Potential:     -136.531784
External:        +0.000000
XC:            -306.049201
Entropy (-ST):   -1.547040
Local:          +10.529929
--------------------------
Free energy:   -415.005309
Extrapolated:  -414.231789

Fermi level: -6.30124

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38424    0.15474
  0   340     -6.35713    0.14137
  0   341     -6.35523    0.14039
  0   342     -6.32065    0.12186

  1   339     -6.27922    0.19785
  1   340     -6.22865    0.14492
  1   341     -6.18780    0.10815
  1   342     -6.18777    0.10813



Forces in eV/Ang:
  0 O     0.00000   -0.01788    1.17370
  1 Pt   -0.00000    0.00913   -0.38058
  2 Pt    0.00000   -0.01908   -0.43676
  3 O    -1.68273   -0.00016   -0.71913
  4 O     1.68273   -0.00016   -0.71913
  5 O     0.00000   -0.01045   -1.41001
  6 O     0.00000   -0.00268    1.77216
  7 Pt   -0.00000    0.01295    0.45180
  8 Pt    0.00000   -0.04374    0.80046
  9 O    -1.58094    0.00131    0.04878
 10 O     1.58094    0.00131    0.04878
 11 O     0.00000   -0.00885   -0.55794
 12 O    -0.00000    0.00263    0.03591
 13 Pt   -0.00000    0.05060   -0.00629
 14 Pt    0.00000   -0.02115   -0.00053
 15 O    -0.00217    0.00944    0.00228
 16 O     0.00217    0.00944    0.00228
 17 O     0.00000   -0.12685   -0.14580
 18 O    -0.00000    0.00144    0.01403
 19 Pt    0.00000   -0.03933    0.00556
 20 Pt   -0.00000    0.21421    0.06274
 21 O    -0.08423    0.12878    0.10297
 22 O     0.08423    0.12878    0.10297
 23 O     0.00000   -0.01602   -0.00818
 24 O     0.00000    0.00047    1.15201
 25 Pt   -0.00000    0.00512   -0.38348
 26 Pt    0.00000   -0.00002   -0.43464
 27 O    -1.69113    0.01379   -0.71849
 28 O     1.69113    0.01379   -0.71849
 29 O    -0.00000    0.05851   -1.38400
 30 O     0.00000   -0.00521    1.83371
 31 Pt   -0.00000    0.01987    0.51152
 32 Pt    0.00000   -0.18502    0.54390
 33 O    -1.61383   -0.01946    0.06840
 34 O     1.61383   -0.01946    0.06840
 35 O     0.00000   -0.03254   -0.52017
 36 O    -0.00000    0.05269   -0.04711
 37 Pt    0.00000   -0.04260   -0.01023
 38 Pt    0.00000   -0.00436   -0.01043
 39 O     0.00846    0.01342    0.01459
 40 O    -0.00846    0.01342    0.01459
 41 O     0.00000    0.00507   -0.01944
 42 O    -0.00000    0.01874   -0.01035
 43 Pt   -0.00000    0.00590   -0.02755
 44 Pt   -0.00000    0.03053   -0.00923
 45 O    -0.01468   -0.05062   -0.01977
 46 O     0.01468   -0.05062   -0.01977
 47 O     0.00000   -0.02825   -0.01121
 48 O    -0.00000    0.02143    1.17387
 49 Pt    0.00000   -0.02303   -0.38580
 50 Pt   -0.00000    0.02105   -0.43658
 51 O    -1.68948   -0.01392   -0.71948
 52 O     1.68948   -0.01392   -0.71948
 53 O     0.00000   -0.02313   -1.39899
 54 O     0.00000   -0.00133    1.77675
 55 Pt    0.00000   -0.01193    0.51502
 56 Pt   -0.00000    0.16485    0.62071
 57 O    -1.61245    0.01400    0.09835
 58 O     1.61245    0.01400    0.09835
 59 O     0.00000   -0.02124   -0.51189
 60 O     0.00000   -0.04959   -0.04910
 61 Pt   -0.00000    0.00968   -0.00436
 62 Pt   -0.00000    0.01760   -0.00549
 63 O    -0.00259   -0.00781    0.00156
 64 O     0.00259   -0.00781    0.00156
 65 O     0.00000   -0.00577    0.00220
 66 O     0.00000    0.00487    0.00294
 67 Pt   -0.00000    0.00898    0.00545
 68 Pt   -0.00000    0.08486   -0.02915
 69 O    -0.00437   -0.00472   -0.00034
 70 O     0.00437   -0.00472   -0.00034
 71 O    -0.00000    0.00933   -0.01449
 72 N     0.00000   -0.51640   -0.82233
 73 N    -0.00000    0.11480    0.90479

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.473928   24.299103    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.979399   23.309432    ( 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  18:55:35  -2.90   +inf  -414.284069    3      1      
iter:   2  18:57:41  -3.17  -2.78  -415.419487    4      1      
iter:   3  18:59:48  -3.53  -2.09  -414.233587    3      1      
iter:   4  19:01:56  -4.19  -3.10  -414.233985    3      1      
iter:   5  19:04:05  -4.90  -3.64  -414.231012    3      1      
iter:   6  19:06:16  -4.79  -3.74  -414.229135    2      1      
iter:   7  19:08:27  -5.17  -3.89  -414.230349    3      1      
iter:   8  19:10:39  -5.05  -3.77  -414.229763    3      1      
iter:   9  19:12:49  -5.47  -4.27  -414.229573    2      1      
iter:  10  19:14:59  -5.47  -4.11  -414.230335    2      1      
iter:  11  19:17:08  -5.77  -4.10  -414.229134    3      1      
iter:  12  19:19:19  -5.97  -3.89  -414.229676    2      1      
iter:  13  19:21:30  -6.41  -4.48  -414.229607    2      1      
iter:  14  19:23:39  -6.29  -4.49  -414.229425    2      1      
iter:  15  19:25:51  -6.82  -4.55  -414.229470    2      1      
iter:  16  19:28:01  -6.98  -4.90  -414.229372    2      1      
iter:  17  19:30:12  -7.13  -4.70  -414.229588    2      1      
iter:  18  19:32:25  -7.49  -4.68  -414.229439    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961185, -32.909480, 0.277677) |e|*Ang

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

Kinetic:        +19.541711
Potential:     -137.315024
External:        +0.000000
XC:            -306.217133
Entropy (-ST):   -1.547304
Local:          +10.534659
--------------------------
Free energy:   -415.003091
Extrapolated:  -414.229439

Fermi level: -6.30262

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38564    0.15476
  0   340     -6.35856    0.14140
  0   341     -6.35666    0.14042
  0   342     -6.32241    0.12207

  1   339     -6.28062    0.19787
  1   340     -6.23000    0.14490
  1   341     -6.18943    0.10836
  1   342     -6.18901    0.10801



Forces in eV/Ang:
  0 O     0.00000   -0.01796    1.17352
  1 Pt   -0.00000    0.00874   -0.38030
  2 Pt    0.00000   -0.01910   -0.43626
  3 O    -1.68251   -0.00016   -0.71914
  4 O     1.68251   -0.00016   -0.71914
  5 O     0.00000   -0.01036   -1.40913
  6 O     0.00000   -0.00261    1.77350
  7 Pt   -0.00000    0.01299    0.45187
  8 Pt    0.00000   -0.04394    0.79922
  9 O    -1.58109    0.00130    0.04880
 10 O     1.58109    0.00130    0.04880
 11 O     0.00000   -0.00885   -0.55825
 12 O    -0.00000    0.00196    0.03938
 13 Pt   -0.00000    0.05434   -0.00721
 14 Pt    0.00000   -0.02107   -0.00032
 15 O    -0.00221    0.00926    0.00249
 16 O     0.00221    0.00926    0.00249
 17 O     0.00000   -0.13567   -0.15618
 18 O    -0.00000    0.00154    0.01427
 19 Pt    0.00000   -0.03945    0.00774
 20 Pt   -0.00000    0.23428    0.05323
 21 O    -0.08946    0.13939    0.11253
 22 O     0.08946    0.13939    0.11253
 23 O     0.00000   -0.01460   -0.00688
 24 O     0.00000    0.00046    1.15174
 25 Pt   -0.00000    0.00554   -0.38315
 26 Pt    0.00000   -0.00004   -0.43414
 27 O    -1.69088    0.01380   -0.71849
 28 O     1.69088    0.01380   -0.71849
 29 O    -0.00000    0.05825   -1.38428
 30 O     0.00000   -0.00531    1.83517
 31 Pt   -0.00000    0.01979    0.51148
 32 Pt    0.00000   -0.18403    0.54512
 33 O    -1.61405   -0.01938    0.06847
 34 O     1.61405   -0.01938    0.06847
 35 O     0.00000   -0.03261   -0.52036
 36 O    -0.00000    0.05760   -0.05014
 37 Pt    0.00000   -0.04441   -0.01066
 38 Pt    0.00000   -0.00426   -0.00994
 39 O     0.00870    0.01342    0.01473
 40 O    -0.00870    0.01342    0.01473
 41 O     0.00000    0.00526   -0.02076
 42 O    -0.00000    0.01871   -0.01064
 43 Pt   -0.00000    0.00630   -0.02683
 44 Pt   -0.00000    0.02928   -0.00885
 45 O    -0.01879   -0.05925   -0.01467
 46 O     0.01879   -0.05925   -0.01467
 47 O     0.00000   -0.02966   -0.00919
 48 O    -0.00000    0.02149    1.17360
 49 Pt    0.00000   -0.02307   -0.38539
 50 Pt   -0.00000    0.02109   -0.43615
 51 O    -1.68927   -0.01391   -0.71947
 52 O     1.68927   -0.01391   -0.71947
 53 O     0.00000   -0.02284   -1.39906
 54 O     0.00000   -0.00131    1.77813
 55 Pt    0.00000   -0.01193    0.51520
 56 Pt   -0.00000    0.16388    0.62161
 57 O    -1.61260    0.01398    0.09814
 58 O     1.61260    0.01398    0.09814
 59 O     0.00000   -0.02118   -0.51192
 60 O     0.00000   -0.05333   -0.05134
 61 Pt   -0.00000    0.00929   -0.00643
 62 Pt   -0.00000    0.01752   -0.00508
 63 O    -0.00309   -0.00772    0.00168
 64 O     0.00309   -0.00772    0.00168
 65 O     0.00000   -0.00551    0.00158
 66 O    -0.00000    0.00483    0.00270
 67 Pt   -0.00000    0.00886    0.00616
 68 Pt   -0.00000    0.08711   -0.02894
 69 O    -0.00448   -0.00494    0.00018
 70 O     0.00448   -0.00494    0.00018
 71 O    -0.00000    0.00951   -0.01359
 72 N     0.00000   -0.12286   -0.08063
 73 N     0.00000   -0.20086    0.13774

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.488653   24.305855    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.995541   23.318691    ( 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  19:42:24  -2.99   +inf  -414.231275    3      1      
iter:   2  19:44:33  -3.79  -3.29  -414.311778    3      1      
iter:   3  19:46:42  -4.21  -2.62  -414.223933    3      1      
iter:   4  19:48:50  -4.82  -3.40  -414.225058    3      1      
iter:   5  19:50:59  -4.97  -3.99  -414.223919    2      1      
iter:   6  19:53:11  -5.01  -3.91  -414.224085    2      1      
iter:   7  19:55:23  -5.70  -4.26  -414.224213    2      1      
iter:   8  19:57:34  -5.69  -4.42  -414.223935    2      1      
iter:   9  19:59:46  -5.70  -4.50  -414.224541    2      1      
iter:  10  20:01:56  -6.05  -4.18  -414.224199    2      1      
iter:  11  20:04:09  -6.70  -4.04  -414.223853    2      1      
iter:  12  20:06:20  -7.02  -4.64  -414.224077    2      1      
iter:  13  20:08:31  -6.96  -4.83  -414.224061    2      1      
iter:  14  20:10:43  -7.09  -4.98  -414.224034    2      1      
iter:  15  20:12:55  -7.32  -5.02  -414.223991    2      1      
iter:  16  20:15:07  -7.92  -5.29  -414.224028    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961196, -32.903226, 0.276855) |e|*Ang

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

Kinetic:        +20.005608
Potential:     -137.703351
External:        +0.000000
XC:            -306.285006
Entropy (-ST):   -1.547423
Local:          +10.532433
--------------------------
Free energy:   -414.997740
Extrapolated:  -414.224028

Fermi level: -6.30369

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38680    0.15479
  0   340     -6.35944    0.14130
  0   341     -6.35754    0.14032
  0   342     -6.32380    0.12224

  1   339     -6.28154    0.19771
  1   340     -6.23095    0.14478
  1   341     -6.19060    0.10844
  1   342     -6.18997    0.10793



Forces in eV/Ang:
  0 O     0.00000   -0.01801    1.17377
  1 Pt   -0.00000    0.00841   -0.38075
  2 Pt    0.00000   -0.01910   -0.43683
  3 O    -1.68364   -0.00016   -0.71911
  4 O     1.68364   -0.00016   -0.71911
  5 O     0.00000   -0.01028   -1.40835
  6 O     0.00000   -0.00262    1.76943
  7 Pt   -0.00000    0.01308    0.45043
  8 Pt    0.00000   -0.04414    0.79713
  9 O    -1.58108    0.00134    0.04851
 10 O     1.58108    0.00134    0.04851
 11 O     0.00000   -0.00884   -0.55898
 12 O    -0.00000    0.00147    0.04163
 13 Pt   -0.00000    0.05801   -0.00873
 14 Pt    0.00000   -0.02088   -0.00056
 15 O    -0.00175    0.00936    0.00245
 16 O     0.00175    0.00936    0.00245
 17 O     0.00000   -0.14331   -0.16826
 18 O    -0.00000    0.00161    0.01525
 19 Pt    0.00000   -0.03936    0.00726
 20 Pt   -0.00000    0.25431    0.04258
 21 O    -0.09253    0.14623    0.11804
 22 O     0.09253    0.14623    0.11804
 23 O     0.00000   -0.01386   -0.00746
 24 O     0.00000    0.00047    1.15194
 25 Pt   -0.00000    0.00588   -0.38361
 26 Pt    0.00000   -0.00002   -0.43474
 27 O    -1.69201    0.01379   -0.71846
 28 O     1.69201    0.01379   -0.71846
 29 O    -0.00000    0.05807   -1.38457
 30 O     0.00000   -0.00523    1.83095
 31 Pt   -0.00000    0.01965    0.51000
 32 Pt    0.00000   -0.18322    0.54533
 33 O    -1.61407   -0.01939    0.06825
 34 O     1.61407   -0.01939    0.06825
 35 O     0.00000   -0.03258   -0.52085
 36 O    -0.00000    0.06139   -0.05281
 37 Pt    0.00000   -0.04640   -0.01166
 38 Pt    0.00000   -0.00435   -0.01034
 39 O     0.00927    0.01325    0.01465
 40 O    -0.00927    0.01325    0.01465
 41 O     0.00000    0.00511   -0.02321
 42 O    -0.00000    0.01907   -0.01040
 43 Pt   -0.00000    0.00605   -0.02809
 44 Pt   -0.00000    0.02736   -0.00814
 45 O    -0.02120   -0.06496   -0.01273
 46 O     0.02120   -0.06496   -0.01273
 47 O     0.00000   -0.02956   -0.00878
 48 O    -0.00000    0.02150    1.17380
 49 Pt    0.00000   -0.02310   -0.38576
 50 Pt   -0.00000    0.02108   -0.43678
 51 O    -1.69046   -0.01391   -0.71943
 52 O     1.69046   -0.01391   -0.71943
 53 O     0.00000   -0.02263   -1.39912
 54 O     0.00000   -0.00138    1.77395
 55 Pt    0.00000   -0.01192    0.51372
 56 Pt   -0.00000    0.16312    0.62150
 57 O    -1.61253    0.01402    0.09762
 58 O     1.61253    0.01402    0.09762
 59 O     0.00000   -0.02120   -0.51243
 60 O     0.00000   -0.05628   -0.05342
 61 Pt   -0.00000    0.00896   -0.00896
 62 Pt   -0.00000    0.01748   -0.00568
 63 O    -0.00291   -0.00772    0.00143
 64 O     0.00291   -0.00772    0.00143
 65 O     0.00000   -0.00503   -0.00002
 66 O    -0.00000    0.00445    0.00293
 67 Pt   -0.00000    0.00897    0.00542
 68 Pt   -0.00000    0.08819   -0.03100
 69 O    -0.00462   -0.00476   -0.00044
 70 O     0.00462   -0.00476   -0.00044
 71 O    -0.00000    0.00897   -0.01419
 72 N    -0.00000    0.02071    0.24161
 73 N     0.00000   -0.44619   -0.15282

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.503151   24.311872    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.008615   23.327080    ( 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  20:23:30  -3.08   +inf  -414.246667    3      1      
iter:   2  20:25:39  -3.34  -2.85  -415.123503    3      1      
iter:   3  20:27:50  -3.71  -2.14  -414.220149    3      1      
iter:   4  20:30:00  -4.53  -3.76  -414.218906    2      1      
iter:   5  20:32:11  -4.75  -3.98  -414.218821    3      1      
iter:   6  20:34:23  -5.15  -3.88  -414.217102    3      1      
iter:   7  20:36:35  -5.59  -4.09  -414.217969    2      1      
iter:   8  20:38:43  -5.92  -4.27  -414.218024    2      1      
iter:   9  20:40:55  -6.22  -4.44  -414.217956    2      1      
iter:  10  20:43:08  -6.41  -4.24  -414.218086    2      1      
iter:  11  20:45:20  -6.29  -4.38  -414.217968    2      1      
iter:  12  20:47:30  -6.62  -4.66  -414.218162    2      1      
iter:  13  20:49:41  -7.12  -4.70  -414.217955    2      1      
iter:  14  20:51:53  -7.64  -5.02  -414.217986    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961181, -32.896361, 0.273932) |e|*Ang

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

Kinetic:        +20.276854
Potential:     -137.943399
External:        +0.000000
XC:            -306.312276
Entropy (-ST):   -1.547701
Local:          +10.534685
--------------------------
Free energy:   -414.991837
Extrapolated:  -414.217986

Fermi level: -6.30572

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38871    0.15474
  0   340     -6.36173    0.14144
  0   341     -6.35986    0.14048
  0   342     -6.32590    0.12229

  1   339     -6.28367    0.19783
  1   340     -6.23316    0.14497
  1   341     -6.19278    0.10857
  1   342     -6.19180    0.10777



Forces in eV/Ang:
  0 O     0.00000   -0.01803    1.17343
  1 Pt   -0.00000    0.00813   -0.38003
  2 Pt    0.00000   -0.01908   -0.43640
  3 O    -1.68222   -0.00016   -0.71915
  4 O     1.68222   -0.00016   -0.71915
  5 O     0.00000   -0.01027   -1.40763
  6 O     0.00000   -0.00263    1.77546
  7 Pt   -0.00000    0.01319    0.45322
  8 Pt    0.00000   -0.04433    0.79831
  9 O    -1.58081    0.00138    0.04931
 10 O     1.58081    0.00138    0.04931
 11 O     0.00000   -0.00886   -0.55785
 12 O    -0.00000    0.00120    0.04449
 13 Pt   -0.00000    0.06122   -0.00765
 14 Pt    0.00000   -0.02065    0.00074
 15 O    -0.00196    0.00948    0.00301
 16 O     0.00196    0.00948    0.00301
 17 O     0.00000   -0.14757   -0.17564
 18 O    -0.00000    0.00149    0.01532
 19 Pt    0.00000   -0.03955    0.01013
 20 Pt   -0.00000    0.25912    0.04105
 21 O    -0.09757    0.15393    0.12500
 22 O     0.09757    0.15393    0.12500
 23 O     0.00000   -0.01529   -0.00933
 24 O     0.00000    0.00049    1.15147
 25 Pt   -0.00000    0.00618   -0.38294
 26 Pt    0.00000    0.00000   -0.43443
 27 O    -1.69060    0.01382   -0.71850
 28 O     1.69060    0.01382   -0.71850
 29 O    -0.00000    0.05786   -1.38449
 30 O     0.00000   -0.00523    1.83676
 31 Pt   -0.00000    0.01951    0.51278
 32 Pt    0.00000   -0.18240    0.54863
 33 O    -1.61376   -0.01946    0.06910
 34 O     1.61376   -0.01946    0.06910
 35 O     0.00000   -0.03259   -0.51954
 36 O    -0.00000    0.06452   -0.05343
 37 Pt    0.00000   -0.04854   -0.01022
 38 Pt    0.00000   -0.00440   -0.00898
 39 O     0.00915    0.01312    0.01527
 40 O    -0.00915    0.01312    0.01527
 41 O     0.00000    0.00587   -0.01863
 42 O    -0.00000    0.01900   -0.01032
 43 Pt   -0.00000    0.00675   -0.03076
 44 Pt   -0.00000    0.02858   -0.01448
 45 O    -0.02155   -0.06981   -0.01499
 46 O     0.02155   -0.06981   -0.01499
 47 O     0.00000   -0.02845   -0.01054
 48 O    -0.00000    0.02149    1.17332
 49 Pt    0.00000   -0.02312   -0.38503
 50 Pt   -0.00000    0.02104   -0.43643
 51 O    -1.68910   -0.01393   -0.71943
 52 O     1.68910   -0.01393   -0.71943
 53 O     0.00000   -0.02238   -1.39891
 54 O     0.00000   -0.00136    1.77989
 55 Pt    0.00000   -0.01191    0.51657
 56 Pt   -0.00000    0.16242    0.62451
 57 O    -1.61214    0.01408    0.09829
 58 O     1.61214    0.01408    0.09829
 59 O     0.00000   -0.02118   -0.51111
 60 O     0.00000   -0.05882   -0.05382
 61 Pt   -0.00000    0.00869   -0.00806
 62 Pt   -0.00000    0.01734   -0.00444
 63 O    -0.00317   -0.00774    0.00204
 64 O     0.00317   -0.00774    0.00204
 65 O     0.00000   -0.00592    0.00534
 66 O    -0.00000    0.00465    0.00289
 67 Pt   -0.00000    0.00888    0.00566
 68 Pt   -0.00000    0.09106   -0.02942
 69 O    -0.00586   -0.00470   -0.00062
 70 O     0.00586   -0.00470   -0.00062
 71 O    -0.00000    0.00908   -0.01512
 72 N    -0.00000    0.07740    0.49300
 73 N     0.00000   -0.63731   -0.31827

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   Pt            
            Pt   N     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    2.517355   24.318089    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.020967   23.335396    ( 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  21:03:42  -3.09   +inf  -414.233704    3      1      
iter:   2  21:05:53  -3.44  -2.91  -414.911503    3      1      
iter:   3  21:08:05  -3.78  -2.19  -414.215495    2      1      
iter:   4  21:10:17  -4.50  -3.53  -414.212884    2      1      
iter:   5  21:12:27  -4.67  -3.97  -414.214362    3      1      
iter:   6  21:14:37  -5.00  -3.74  -414.212159    2      1      
iter:   7  21:16:48  -5.57  -4.13  -414.212473    2      1      
iter:   8  21:18:59  -5.94  -4.29  -414.212439    2      1      
iter:   9  21:21:09  -5.88  -4.47  -414.212269    2      1      
iter:  10  21:23:20  -6.42  -4.17  -414.212793    2      1      
iter:  11  21:25:31  -6.45  -4.16  -414.212316    2      1      
iter:  12  21:27:42  -6.82  -4.76  -414.212524    2      1      
iter:  13  21:29:55  -7.11  -4.77  -414.212414    2      1      
iter:  14  21:32:07  -7.46  -4.82  -414.212494    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961235, -32.890326, 0.272058) |e|*Ang

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

Kinetic:        +20.450806
Potential:     -138.100747
External:        +0.000000
XC:            -306.324575
Entropy (-ST):   -1.547851
Local:          +10.535946
--------------------------
Free energy:   -414.986420
Extrapolated:  -414.212494

Fermi level: -6.30735

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39035    0.15475
  0   340     -6.36334    0.14143
  0   341     -6.36147    0.14046
  0   342     -6.32777    0.12242

  1   339     -6.28521    0.19772
  1   340     -6.23478    0.14495
  1   341     -6.19454    0.10867
  1   342     -6.19328    0.10764



Forces in eV/Ang:
  0 O     0.00000   -0.01805    1.17352
  1 Pt   -0.00000    0.00787   -0.38078
  2 Pt    0.00000   -0.01906   -0.43660
  3 O    -1.68281   -0.00015   -0.71931
  4 O     1.68281   -0.00015   -0.71931
  5 O     0.00000   -0.01021   -1.40789
  6 O     0.00000   -0.00265    1.77341
  7 Pt   -0.00000    0.01324    0.45172
  8 Pt    0.00000   -0.04444    0.79599
  9 O    -1.58062    0.00136    0.04900
 10 O     1.58062    0.00136    0.04900
 11 O     0.00000   -0.00885   -0.55931
 12 O     0.00000    0.00086    0.04573
 13 Pt   -0.00000    0.06454   -0.00994
 14 Pt    0.00000   -0.02047   -0.00049
 15 O    -0.00175    0.00954    0.00277
 16 O     0.00175    0.00954    0.00277
 17 O     0.00000   -0.15114   -0.18657
 18 O    -0.00000    0.00146    0.01474
 19 Pt    0.00000   -0.03954    0.01125
 20 Pt   -0.00000    0.27048    0.03327
 21 O    -0.10167    0.16106    0.12952
 22 O     0.10167    0.16106    0.12952
 23 O     0.00000   -0.01520   -0.01014
 24 O     0.00000    0.00047    1.15151
 25 Pt   -0.00000    0.00644   -0.38370
 26 Pt    0.00000   -0.00001   -0.43467
 27 O    -1.69120    0.01380   -0.71865
 28 O     1.69120    0.01380   -0.71865
 29 O    -0.00000    0.05768   -1.38572
 30 O     0.00000   -0.00519    1.83472
 31 Pt   -0.00000    0.01944    0.51126
 32 Pt    0.00000   -0.18158    0.54851
 33 O    -1.61356   -0.01944    0.06879
 34 O     1.61356   -0.01944    0.06879
 35 O     0.00000   -0.03256   -0.52081
 36 O    -0.00000    0.06845   -0.05701
 37 Pt    0.00000   -0.05129   -0.01213
 38 Pt    0.00000   -0.00440   -0.01031
 39 O     0.00938    0.01301    0.01496
 40 O    -0.00938    0.01301    0.01496
 41 O     0.00000    0.00583   -0.01997
 42 O    -0.00000    0.01915   -0.01129
 43 Pt   -0.00000    0.00665   -0.03065
 44 Pt   -0.00000    0.02623   -0.01459
 45 O    -0.02480   -0.07629   -0.01401
 46 O     0.02480   -0.07629   -0.01401
 47 O     0.00000   -0.02812   -0.01067
 48 O    -0.00000    0.02151    1.17336
 49 Pt    0.00000   -0.02312   -0.38570
 50 Pt   -0.00000    0.02102   -0.43667
 51 O    -1.68973   -0.01391   -0.71957
 52 O     1.68973   -0.01391   -0.71957
 53 O     0.00000   -0.02221   -1.39999
 54 O     0.00000   -0.00138    1.77790
 55 Pt    0.00000   -0.01191    0.51511
 56 Pt   -0.00000    0.16169    0.62408
 57 O    -1.61193    0.01411    0.09776
 58 O     1.61193    0.01411    0.09776
 59 O     0.00000   -0.02121   -0.51244
 60 O     0.00000   -0.06205   -0.05695
 61 Pt   -0.00000    0.00845   -0.01157
 62 Pt   -0.00000    0.01720   -0.00583
 63 O    -0.00334   -0.00773    0.00168
 64 O     0.00334   -0.00773    0.00168
 65 O     0.00000   -0.00557    0.00469
 66 O    -0.00000    0.00449    0.00190
 67 Pt   -0.00000    0.00897    0.00596
 68 Pt   -0.00000    0.09295   -0.03011
 69 O    -0.00627   -0.00459   -0.00159
 70 O     0.00627   -0.00459   -0.00159
 71 O    -0.00000    0.00878   -0.01566
 72 N    -0.00000    0.12485    0.53302
 73 N     0.00000   -0.64812   -0.42989

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   Pt            
            Pt   N     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    2.532108   24.323019    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.032301   23.342914    ( 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  21:42:08  -3.11   +inf  -414.219908    3      1      
iter:   2  21:44:17  -3.55  -2.99  -414.686856    3      1      
iter:   3  21:46:27  -3.87  -2.27  -414.213659    3      1      
iter:   4  21:48:35  -4.54  -3.48  -414.208276    3      1      
iter:   5  21:50:40  -4.91  -3.80  -414.207906    3      1      
iter:   6  21:52:46  -5.05  -4.04  -414.207648    3      1      
iter:   7  21:54:51  -5.45  -4.19  -414.207624    2      1      
iter:   8  21:56:58  -5.73  -4.34  -414.207663    2      1      
iter:   9  21:59:05  -5.93  -4.60  -414.207513    2      1      
iter:  10  22:01:14  -6.22  -4.69  -414.207727    2      1      
iter:  11  22:03:25  -6.81  -4.74  -414.207456    2      1      
iter:  12  22:05:37  -7.21  -4.68  -414.207693    2      1      
iter:  13  22:07:49  -7.43  -4.53  -414.207665    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961261, -32.884030, 0.269138) |e|*Ang

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

Kinetic:        +20.571642
Potential:     -138.211186
External:        +0.000000
XC:            -306.329279
Entropy (-ST):   -1.548233
Local:          +10.535274
--------------------------
Free energy:   -414.981782
Extrapolated:  -414.207665

Fermi level: -6.30942

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39236    0.15472
  0   340     -6.36550    0.14147
  0   341     -6.36363    0.14051
  0   342     -6.33000    0.12251

  1   339     -6.28741    0.19786
  1   340     -6.23687    0.14498
  1   341     -6.19674    0.10878
  1   342     -6.19524    0.10756



Forces in eV/Ang:
  0 O     0.00000   -0.01806    1.17350
  1 Pt   -0.00000    0.00757   -0.37983
  2 Pt    0.00000   -0.01904   -0.43586
  3 O    -1.68193   -0.00016   -0.71917
  4 O     1.68193   -0.00016   -0.71917
  5 O     0.00000   -0.01021   -1.40746
  6 O     0.00000   -0.00269    1.77655
  7 Pt   -0.00000    0.01330    0.45282
  8 Pt    0.00000   -0.04455    0.79608
  9 O    -1.58078    0.00128    0.04907
 10 O     1.58078    0.00128    0.04907
 11 O     0.00000   -0.00887   -0.55967
 12 O     0.00000    0.00068    0.04781
 13 Pt   -0.00000    0.06782   -0.01048
 14 Pt    0.00000   -0.02029   -0.00023
 15 O    -0.00181    0.00955    0.00274
 16 O     0.00181    0.00955    0.00274
 17 O     0.00000   -0.15341   -0.19723
 18 O    -0.00000    0.00159    0.01478
 19 Pt    0.00000   -0.03980    0.01315
 20 Pt   -0.00000    0.27571    0.03033
 21 O    -0.10502    0.16715    0.13526
 22 O     0.10502    0.16715    0.13526
 23 O     0.00000   -0.01553   -0.01026
 24 O     0.00000    0.00044    1.15139
 25 Pt   -0.00000    0.00677   -0.38279
 26 Pt    0.00000   -0.00002   -0.43403
 27 O    -1.69034    0.01383   -0.71851
 28 O     1.69034    0.01383   -0.71851
 29 O    -0.00000    0.05745   -1.38590
 30 O     0.00000   -0.00529    1.83774
 31 Pt   -0.00000    0.01938    0.51236
 32 Pt    0.00000   -0.18085    0.55032
 33 O    -1.61369   -0.01935    0.06890
 34 O     1.61369   -0.01935    0.06890
 35 O     0.00000   -0.03266   -0.52099
 36 O    -0.00000    0.07148   -0.05895
 37 Pt    0.00000   -0.05433   -0.01235
 38 Pt    0.00000   -0.00448   -0.00998
 39 O     0.00934    0.01294    0.01495
 40 O    -0.00934    0.01294    0.01495
 41 O     0.00000    0.00605   -0.01913
 42 O    -0.00000    0.01916   -0.01130
 43 Pt   -0.00000    0.00685   -0.03124
 44 Pt   -0.00000    0.02482   -0.01616
 45 O    -0.02646   -0.08146   -0.01370
 46 O     0.02646   -0.08146   -0.01370
 47 O     0.00000   -0.02795   -0.01087
 48 O    -0.00000    0.02153    1.17324
 49 Pt    0.00000   -0.02314   -0.38470
 50 Pt   -0.00000    0.02102   -0.43600
 51 O    -1.68889   -0.01393   -0.71942
 52 O     1.68889   -0.01393   -0.71942
 53 O     0.00000   -0.02195   -1.40005
 54 O     0.00000   -0.00124    1.78103
 55 Pt    0.00000   -0.01192    0.51627
 56 Pt   -0.00000    0.16106    0.62564
 57 O    -1.61212    0.01412    0.09762
 58 O     1.61212    0.01412    0.09762
 59 O     0.00000   -0.02109   -0.51270
 60 O     0.00000   -0.06458   -0.05850
 61 Pt   -0.00000    0.00837   -0.01266
 62 Pt   -0.00000    0.01716   -0.00541
 63 O    -0.00377   -0.00771    0.00169
 64 O     0.00377   -0.00771    0.00169
 65 O     0.00000   -0.00568    0.00629
 66 O    -0.00000    0.00433    0.00189
 67 Pt   -0.00000    0.00919    0.00542
 68 Pt   -0.00000    0.09512   -0.02872
 69 O    -0.00633   -0.00438   -0.00184
 70 O     0.00633   -0.00438   -0.00184
 71 O    -0.00000    0.00893   -0.01585
 72 N    -0.00000    0.21699    0.65075
 73 N     0.00000   -0.72577   -0.46046

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   Pt            
            Pt   N     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    2.546619   24.328540    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.041927   23.351052    ( 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  22:17:55  -3.13   +inf  -414.275631    3      1      
iter:   2  22:20:06  -3.02  -2.67  -416.314757    3      1      
iter:   3  22:22:17  -3.36  -1.96  -414.218459    3      1      
iter:   4  22:24:29  -3.93  -3.07  -414.207147    3      1      
iter:   5  22:26:40  -4.43  -3.75  -414.204529    3      1      
iter:   6  22:28:50  -4.68  -3.77  -414.204402    3      1      
iter:   7  22:31:01  -5.10  -4.06  -414.204324    3      1      
iter:   8  22:33:12  -5.56  -4.15  -414.204409    2      1      
iter:   9  22:35:23  -5.72  -4.26  -414.204388    2      1      
iter:  10  22:37:34  -6.21  -4.00  -414.204028    2      1      
iter:  11  22:39:45  -6.50  -4.46  -414.204737    2      1      
iter:  12  22:41:57  -6.60  -4.33  -414.204137    2      1      
iter:  13  22:44:09  -6.60  -4.46  -414.204282    2      1      
iter:  14  22:46:21  -7.01  -4.91  -414.204293    1      1      
iter:  15  22:48:31  -7.24  -4.99  -414.204330    2      1      
iter:  16  22:50:30  -7.38  -4.63  -414.204335    2      1      
iter:  17  22:52:28  -7.83  -5.11  -414.204212    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961243, -32.878140, 0.267195) |e|*Ang

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

Kinetic:        +20.610446
Potential:     -138.260120
External:        +0.000000
XC:            -306.313517
Entropy (-ST):   -1.548695
Local:          +10.533326
--------------------------
Free energy:   -414.978560
Extrapolated:  -414.204212

Fermi level: -6.31102

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39401    0.15474
  0   340     -6.36698    0.14141
  0   341     -6.36512    0.14045
  0   342     -6.33197    0.12270

  1   339     -6.28900    0.19785
  1   340     -6.23831    0.14481
  1   341     -6.19854    0.10894
  1   342     -6.19679    0.10750



Forces in eV/Ang:
  0 O     0.00000   -0.01810    1.17379
  1 Pt   -0.00000    0.00730   -0.37898
  2 Pt    0.00000   -0.01908   -0.43555
  3 O    -1.68204   -0.00011   -0.71900
  4 O     1.68204   -0.00011   -0.71900
  5 O     0.00000   -0.01020   -1.40665
  6 O     0.00000   -0.00266    1.77586
  7 Pt   -0.00000    0.01326    0.45308
  8 Pt    0.00000   -0.04450    0.79494
  9 O    -1.58109    0.00121    0.04969
 10 O     1.58109    0.00121    0.04969
 11 O     0.00000   -0.00885   -0.55928
 12 O     0.00000    0.00061    0.05123
 13 Pt   -0.00000    0.07105   -0.01136
 14 Pt    0.00000   -0.02017   -0.00013
 15 O    -0.00198    0.00947    0.00336
 16 O     0.00198    0.00947    0.00336
 17 O     0.00000   -0.15369   -0.21055
 18 O    -0.00000    0.00196    0.01625
 19 Pt    0.00000   -0.03985    0.01050
 20 Pt   -0.00000    0.28090    0.01774
 21 O    -0.10729    0.17215    0.13631
 22 O     0.10729    0.17215    0.13631
 23 O     0.00000   -0.01477   -0.01305
 24 O     0.00000    0.00038    1.15169
 25 Pt   -0.00000    0.00705   -0.38191
 26 Pt    0.00000   -0.00009   -0.43353
 27 O    -1.69041    0.01375   -0.71835
 28 O     1.69041    0.01375   -0.71835
 29 O    -0.00000    0.05730   -1.38587
 30 O     0.00000   -0.00509    1.83777
 31 Pt   -0.00000    0.01942    0.51263
 32 Pt    0.00000   -0.17991    0.55084
 33 O    -1.61407   -0.01922    0.06955
 34 O     1.61407   -0.01922    0.06955
 35 O     0.00000   -0.03257   -0.52066
 36 O    -0.00000    0.07489   -0.06004
 37 Pt    0.00000   -0.05775   -0.01298
 38 Pt    0.00000   -0.00472   -0.01006
 39 O     0.00920    0.01297    0.01558
 40 O    -0.00920    0.01297    0.01558
 41 O     0.00000    0.00535   -0.02284
 42 O    -0.00000    0.01911   -0.01061
 43 Pt   -0.00000    0.00655   -0.03286
 44 Pt   -0.00000    0.02162   -0.01600
 45 O    -0.02961   -0.08734   -0.01135
 46 O     0.02961   -0.08734   -0.01135
 47 O     0.00000   -0.02803   -0.01138
 48 O    -0.00000    0.02162    1.17355
 49 Pt    0.00000   -0.02314   -0.38361
 50 Pt   -0.00000    0.02113   -0.43556
 51 O    -1.68893   -0.01391   -0.71926
 52 O     1.68893   -0.01391   -0.71926
 53 O     0.00000   -0.02183   -1.40002
 54 O     0.00000   -0.00149    1.78083
 55 Pt    0.00000   -0.01195    0.51652
 56 Pt   -0.00000    0.16014    0.62603
 57 O    -1.61250    0.01407    0.09802
 58 O     1.61250    0.01407    0.09802
 59 O     0.00000   -0.02119   -0.51228
 60 O     0.00000   -0.06741   -0.05920
 61 Pt   -0.00000    0.00816   -0.01475
 62 Pt   -0.00000    0.01734   -0.00562
 63 O    -0.00440   -0.00771    0.00219
 64 O     0.00440   -0.00771    0.00219
 65 O     0.00000   -0.00481    0.00282
 66 O     0.00000    0.00396    0.00270
 67 Pt   -0.00000    0.00944    0.00410
 68 Pt   -0.00000    0.09594   -0.03280
 69 O    -0.00614   -0.00428   -0.00300
 70 O     0.00614   -0.00428   -0.00300
 71 O    -0.00000    0.00838   -0.01724
 72 N    -0.00000    0.23971    0.68848
 73 N     0.00000   -0.71221   -0.50716

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   Pt            
            Pt   N     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    2.561131   24.334392    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.051762   23.359180    ( 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  22:57:04  -3.13   +inf  -414.220857    3      1      
iter:   2  22:59:15  -3.49  -2.95  -414.810248    2      1      
iter:   3  23:01:25  -3.84  -2.22  -414.202274    3      1      
iter:   4  23:03:37  -4.51  -3.53  -414.202257    3      1      
iter:   5  23:05:47  -4.86  -3.90  -414.200140    2      1      
iter:   6  23:07:58  -4.97  -3.96  -414.201010    3      1      
iter:   7  23:10:08  -5.47  -4.07  -414.200886    2      1      
iter:   8  23:12:19  -5.76  -4.33  -414.200890    2      1      
iter:   9  23:14:30  -5.90  -4.26  -414.201093    2      1      
iter:  10  23:16:41  -6.30  -3.91  -414.200691    2      1      
iter:  11  23:18:52  -6.35  -4.41  -414.200987    2      1      
iter:  12  23:21:02  -6.72  -4.52  -414.200616    2      1      
iter:  13  23:23:14  -7.03  -4.61  -414.200841    2      1      
iter:  14  23:25:26  -7.32  -4.88  -414.200850    2      1      
iter:  15  23:27:36  -7.40  -5.05  -414.200843    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961274, -32.871502, 0.263354) |e|*Ang

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

Kinetic:        +20.574362
Potential:     -138.246390
External:        +0.000000
XC:            -306.288044
Entropy (-ST):   -1.548846
Local:          +10.533651
--------------------------
Free energy:   -414.975266
Extrapolated:  -414.200843

Fermi level: -6.31380

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39660    0.15466
  0   340     -6.37009    0.14159
  0   341     -6.36825    0.14064
  0   342     -6.33470    0.12268

  1   339     -6.29180    0.19789
  1   340     -6.24134    0.14506
  1   341     -6.20142    0.10903
  1   342     -6.19929    0.10728



Forces in eV/Ang:
  0 O     0.00000   -0.01811    1.17351
  1 Pt   -0.00000    0.00703   -0.37903
  2 Pt    0.00000   -0.01909   -0.43559
  3 O    -1.68070   -0.00012   -0.71909
  4 O     1.68070   -0.00012   -0.71909
  5 O     0.00000   -0.01019   -1.40682
  6 O     0.00000   -0.00265    1.78054
  7 Pt   -0.00000    0.01337    0.45495
  8 Pt    0.00000   -0.04454    0.79515
  9 O    -1.58073    0.00126    0.05015
 10 O     1.58073    0.00126    0.05015
 11 O     0.00000   -0.00886   -0.55876
 12 O     0.00000    0.00048    0.05321
 13 Pt   -0.00000    0.07444   -0.01017
 14 Pt    0.00000   -0.02006    0.00125
 15 O    -0.00228    0.00958    0.00383
 16 O     0.00228    0.00958    0.00383
 17 O     0.00000   -0.15396   -0.21948
 18 O    -0.00000    0.00190    0.01575
 19 Pt    0.00000   -0.03965    0.01395
 20 Pt   -0.00000    0.28275    0.01838
 21 O    -0.11182    0.17941    0.13993
 22 O     0.11182    0.17941    0.13993
 23 O     0.00000   -0.01480   -0.01436
 24 O     0.00000    0.00039    1.15130
 25 Pt   -0.00000    0.00734   -0.38197
 26 Pt    0.00000   -0.00006   -0.43369
 27 O    -1.68908    0.01376   -0.71843
 28 O     1.68908    0.01376   -0.71843
 29 O    -0.00000    0.05705   -1.38670
 30 O     0.00000   -0.00510    1.84224
 31 Pt   -0.00000    0.01930    0.51449
 32 Pt    0.00000   -0.17909    0.55316
 33 O    -1.61371   -0.01928    0.07001
 34 O     1.61371   -0.01928    0.07001
 35 O     0.00000   -0.03259   -0.51997
 36 O    -0.00000    0.07846   -0.06177
 37 Pt    0.00000   -0.06131   -0.01146
 38 Pt    0.00000   -0.00469   -0.00874
 39 O     0.00895    0.01282    0.01607
 40 O    -0.00895    0.01282    0.01607
 41 O     0.00000    0.00590   -0.01563
 42 O    -0.00000    0.01919   -0.01134
 43 Pt   -0.00000    0.00639   -0.03051
 44 Pt   -0.00000    0.01971   -0.01544
 45 O    -0.03339   -0.09433   -0.00997
 46 O     0.03339   -0.09433   -0.00997
 47 O     0.00000   -0.02770   -0.01217
 48 O    -0.00000    0.02161    1.17316
 49 Pt    0.00000   -0.02315   -0.38363
 50 Pt   -0.00000    0.02110   -0.43571
 51 O    -1.68765   -0.01391   -0.71932
 52 O     1.68765   -0.01391   -0.71932
 53 O     0.00000   -0.02160   -1.40080
 54 O     0.00000   -0.00147    1.78532
 55 Pt    0.00000   -0.01195    0.51845
 56 Pt   -0.00000    0.15942    0.62820
 57 O    -1.61207    0.01409    0.09829
 58 O     1.61207    0.01409    0.09829
 59 O     0.00000   -0.02116   -0.51157
 60 O     0.00000   -0.07055   -0.06070
 61 Pt   -0.00000    0.00797   -0.01437
 62 Pt   -0.00000    0.01725   -0.00438
 63 O    -0.00484   -0.00771    0.00262
 64 O     0.00484   -0.00771    0.00262
 65 O     0.00000   -0.00524    0.01002
 66 O     0.00000    0.00388    0.00189
 67 Pt   -0.00000    0.00946    0.00580
 68 Pt   -0.00000    0.09798   -0.03130
 69 O    -0.00777   -0.00428   -0.00398
 70 O     0.00777   -0.00428   -0.00398
 71 O    -0.00000    0.00814   -0.01809
 72 N    -0.00000    0.20641    0.70984
 73 N     0.00000   -0.68887   -0.46997

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O          Pt            
            Pt   N     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    2.575417   24.340486    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.061544   23.367415    ( 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  23:32:13  -3.10   +inf  -414.441794    3      1      
iter:   2  23:34:24  -2.54  -2.41  -420.457562    4      1      
iter:   3  23:36:36  -2.95  -1.76  -414.288181    4      1      
iter:   4  23:38:47  -3.37  -2.64  -414.207317    3      1      
iter:   5  23:40:57  -3.96  -3.40  -414.200196    3      1      
iter:   6  23:43:09  -4.37  -3.59  -414.198509    3      1      
iter:   7  23:45:22  -4.84  -3.85  -414.198451    2      1      
iter:   8  23:47:36  -5.25  -4.12  -414.198403    3      1      
iter:   9  23:49:45  -5.52  -4.04  -414.198165    3      1      
iter:  10  23:51:55  -5.85  -4.26  -414.198083    3      1      
iter:  11  23:54:06  -6.00  -4.48  -414.197825    2      1      
iter:  12  23:56:19  -6.79  -4.50  -414.198116    2      1      
iter:  13  23:58:29  -6.80  -4.60  -414.197775    2      1      
iter:  14  00:00:39  -6.76  -4.45  -414.197961    2      1      
iter:  15  00:02:50  -7.03  -4.21  -414.197933    2      1      
iter:  16  00:04:49  -7.04  -4.86  -414.197977    2      1      
iter:  17  00:06:46  -7.30  -4.80  -414.197978    2      1      
iter:  18  00:08:44  -7.76  -5.01  -414.197934    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961285, -32.865345, 0.261611) |e|*Ang

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

Kinetic:        +20.533404
Potential:     -138.227996
External:        +0.000000
XC:            -306.260463
Entropy (-ST):   -1.549196
Local:          +10.531718
--------------------------
Free energy:   -414.972533
Extrapolated:  -414.197934

Fermi level: -6.31591

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39881    0.15470
  0   340     -6.37176    0.14136
  0   341     -6.36991    0.14040
  0   342     -6.33726    0.12293

  1   339     -6.29370    0.19765
  1   340     -6.24312    0.14474
  1   341     -6.20364    0.10911
  1   342     -6.20138    0.10727



Forces in eV/Ang:
  0 O     0.00000   -0.01812    1.17345
  1 Pt   -0.00000    0.00671   -0.37934
  2 Pt    0.00000   -0.01908   -0.43571
  3 O    -1.68300   -0.00012   -0.71932
  4 O     1.68300   -0.00012   -0.71932
  5 O     0.00000   -0.01019   -1.40536
  6 O     0.00000   -0.00267    1.77367
  7 Pt   -0.00000    0.01336    0.45222
  8 Pt    0.00000   -0.04454    0.79251
  9 O    -1.58121    0.00114    0.04974
 10 O     1.58121    0.00114    0.04974
 11 O     0.00000   -0.00885   -0.55947
 12 O     0.00000    0.00047    0.05605
 13 Pt   -0.00000    0.07812   -0.01277
 14 Pt    0.00000   -0.01993    0.00038
 15 O    -0.00141    0.00946    0.00362
 16 O     0.00141    0.00946    0.00362
 17 O     0.00000   -0.15384   -0.23561
 18 O    -0.00000    0.00212    0.01790
 19 Pt    0.00000   -0.03982    0.01244
 20 Pt   -0.00000    0.28484    0.00915
 21 O    -0.11315    0.18358    0.14502
 22 O     0.11315    0.18358    0.14502
 23 O     0.00000   -0.01477   -0.01602
 24 O     0.00000    0.00034    1.15124
 25 Pt   -0.00000    0.00767   -0.38228
 26 Pt    0.00000   -0.00009   -0.43383
 27 O    -1.69137    0.01376   -0.71866
 28 O     1.69137    0.01376   -0.71866
 29 O    -0.00000    0.05684   -1.38610
 30 O     0.00000   -0.00513    1.83543
 31 Pt   -0.00000    0.01930    0.51176
 32 Pt    0.00000   -0.17828    0.55215
 33 O    -1.61420   -0.01915    0.06963
 34 O     1.61420   -0.01915    0.06963
 35 O     0.00000   -0.03262   -0.52060
 36 O    -0.00000    0.08185   -0.06366
 37 Pt    0.00000   -0.06533   -0.01384
 38 Pt    0.00000   -0.00475   -0.00954
 39 O     0.00981    0.01288    0.01579
 40 O    -0.00981    0.01288    0.01579
 41 O     0.00000    0.00526   -0.02448
 42 O    -0.00000    0.01932   -0.00971
 43 Pt   -0.00000    0.00644   -0.03278
 44 Pt   -0.00000    0.01746   -0.01717
 45 O    -0.03462   -0.09884   -0.00647
 46 O     0.03462   -0.09884   -0.00647
 47 O     0.00000   -0.02759   -0.01243
 48 O    -0.00000    0.02164    1.17311
 49 Pt    0.00000   -0.02315   -0.38381
 50 Pt   -0.00000    0.02112   -0.43586
 51 O    -1.68996   -0.01390   -0.71954
 52 O     1.68996   -0.01390   -0.71954
 53 O     0.00000   -0.02141   -1.40014
 54 O     0.00000   -0.00143    1.77853
 55 Pt    0.00000   -0.01196    0.51573
 56 Pt   -0.00000    0.15870    0.62701
 57 O    -1.61262    0.01408    0.09762
 58 O     1.61262    0.01408    0.09762
 59 O     0.00000   -0.02112   -0.51219
 60 O     0.00000   -0.07336   -0.06218
 61 Pt   -0.00000    0.00785   -0.01816
 62 Pt   -0.00000    0.01724   -0.00526
 63 O    -0.00460   -0.00769    0.00238
 64 O     0.00460   -0.00769    0.00238
 65 O     0.00000   -0.00445    0.00194
 66 O     0.00000    0.00350    0.00361
 67 Pt   -0.00000    0.00967    0.00395
 68 Pt   -0.00000    0.09916   -0.03297
 69 O    -0.00618   -0.00410   -0.00271
 70 O     0.00618   -0.00410   -0.00271
 71 O    -0.00000    0.00800   -0.01862
 72 N    -0.00000    0.26163    0.65393
 73 N     0.00000   -0.67475   -0.48293

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O          Pt            
            Pt   N     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    2.589968   24.345880    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.070419   23.375228    ( 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  00:13:20  -3.17   +inf  -414.198583    3      1      
iter:   2  00:15:29  -3.80  -3.20  -414.369598    3      1      
iter:   3  00:17:39  -4.16  -2.49  -414.200308    3      1      
iter:   4  00:19:52  -4.75  -3.55  -414.196375    3      1      
iter:   5  00:22:02  -4.89  -3.79  -414.195689    3      1      
iter:   6  00:24:14  -5.12  -4.25  -414.196042    3      1      
iter:   7  00:26:24  -5.53  -4.01  -414.195645    2      1      
iter:   8  00:28:35  -5.92  -4.47  -414.195660    2      1      
iter:   9  00:30:48  -6.01  -4.45  -414.195509    3      1      
iter:  10  00:33:00  -6.21  -4.66  -414.195528    2      1      
iter:  11  00:35:11  -6.70  -4.78  -414.195673    2      1      
iter:  12  00:37:23  -7.17  -4.75  -414.195477    2      1      
iter:  13  00:39:34  -7.20  -4.73  -414.195772    2      1      
iter:  14  00:41:45  -7.47  -4.68  -414.195648    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961298, -32.859334, 0.259391) |e|*Ang

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

Kinetic:        +20.440596
Potential:     -138.169267
External:        +0.000000
XC:            -306.223149
Entropy (-ST):   -1.549482
Local:          +10.530914
--------------------------
Free energy:   -414.970389
Extrapolated:  -414.195648

Fermi level: -6.31840

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.40142    0.15476
  0   340     -6.37385    0.14115
  0   341     -6.37200    0.14020
  0   342     -6.34007    0.12311

  1   339     -6.29601    0.19745
  1   340     -6.24536    0.14449
  1   341     -6.20619    0.10917
  1   342     -6.20386    0.10726



Forces in eV/Ang:
  0 O     0.00000   -0.01812    1.17422
  1 Pt   -0.00000    0.00646   -0.37984
  2 Pt    0.00000   -0.01907   -0.43624
  3 O    -1.68471   -0.00015   -0.71889
  4 O     1.68471   -0.00015   -0.71889
  5 O     0.00000   -0.01019   -1.40461
  6 O     0.00000   -0.00267    1.76587
  7 Pt   -0.00000    0.01350    0.44965
  8 Pt    0.00000   -0.04454    0.78981
  9 O    -1.58141    0.00123    0.04880
 10 O     1.58141    0.00123    0.04880
 11 O     0.00000   -0.00885   -0.56029
 12 O     0.00000    0.00042    0.05716
 13 Pt   -0.00000    0.08140   -0.01637
 14 Pt    0.00000   -0.01984   -0.00224
 15 O    -0.00130    0.00958    0.00286
 16 O     0.00130    0.00958    0.00286
 17 O     0.00000   -0.15310   -0.24829
 18 O    -0.00000    0.00209    0.01762
 19 Pt    0.00000   -0.03973    0.01496
 20 Pt   -0.00000    0.28418    0.00973
 21 O    -0.11613    0.18932    0.14835
 22 O     0.11613    0.18932    0.14835
 23 O     0.00000   -0.01488   -0.01522
 24 O     0.00000    0.00035    1.15195
 25 Pt   -0.00000    0.00794   -0.38279
 26 Pt    0.00000   -0.00003   -0.43446
 27 O    -1.69309    0.01379   -0.71824
 28 O     1.69309    0.01379   -0.71824
 29 O    -0.00000    0.05666   -1.38616
 30 O     0.00000   -0.00506    1.82717
 31 Pt   -0.00000    0.01915    0.50916
 32 Pt    0.00000   -0.17750    0.55136
 33 O    -1.61440   -0.01923    0.06868
 34 O     1.61440   -0.01923    0.06868
 35 O     0.00000   -0.03258   -0.52134
 36 O    -0.00000    0.08478   -0.06611
 37 Pt    0.00000   -0.06907   -0.01716
 38 Pt    0.00000   -0.00479   -0.01196
 39 O     0.00991    0.01272    0.01498
 40 O    -0.00991    0.01272    0.01498
 41 O     0.00000    0.00512   -0.02976
 42 O    -0.00000    0.01976   -0.01037
 43 Pt   -0.00000    0.00642   -0.03119
 44 Pt   -0.00000    0.01622   -0.01648
 45 O    -0.03690   -0.10429   -0.00502
 46 O     0.03690   -0.10429   -0.00502
 47 O     0.00000   -0.02727   -0.01157
 48 O    -0.00000    0.02162    1.17381
 49 Pt    0.00000   -0.02314   -0.38428
 50 Pt   -0.00000    0.02105   -0.43649
 51 O    -1.69176   -0.01390   -0.71907
 52 O     1.69176   -0.01390   -0.71907
 53 O     0.00000   -0.02125   -1.40015
 54 O     0.00000   -0.00153    1.77028
 55 Pt    0.00000   -0.01196    0.51303
 56 Pt   -0.00000    0.15800    0.62609
 57 O    -1.61276    0.01408    0.09653
 58 O     1.61276    0.01408    0.09653
 59 O     0.00000   -0.02116   -0.51292
 60 O     0.00000   -0.07583   -0.06431
 61 Pt   -0.00000    0.00771   -0.02266
 62 Pt   -0.00000    0.01724   -0.00778
 63 O    -0.00465   -0.00768    0.00168
 64 O     0.00465   -0.00768    0.00168
 65 O     0.00000   -0.00419   -0.00336
 66 O     0.00000    0.00304    0.00293
 67 Pt   -0.00000    0.00969    0.00465
 68 Pt   -0.00000    0.10051   -0.03120
 69 O    -0.00604   -0.00417   -0.00471
 70 O     0.00604   -0.00417   -0.00471
 71 O    -0.00000    0.00780   -0.01783
 72 N    -0.00000    0.19933    0.59552
 73 N     0.00000   -0.65331   -0.37323

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O          Pt            
            Pt   N     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    2.604598   24.351322    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.078696   23.383744    ( 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  00:51:20  -3.15   +inf  -414.276577    3      1      
iter:   2  00:53:27  -2.96  -2.63  -416.565409    3      1      
iter:   3  00:55:36  -3.29  -1.95  -414.203998    3      1      
iter:   4  00:57:48  -3.96  -3.24  -414.196120    3      1      
iter:   5  01:00:00  -4.38  -3.76  -414.192665    3      1      
iter:   6  01:02:10  -4.78  -4.05  -414.193982    3      1      
iter:   7  01:04:20  -5.29  -3.94  -414.193044    2      1      
iter:   8  01:06:32  -5.64  -4.08  -414.193455    3      1      
iter:   9  01:08:43  -5.88  -4.23  -414.193254    2      1      
iter:  10  01:10:49  -6.23  -4.52  -414.193335    2      1      
iter:  11  01:12:56  -6.37  -4.05  -414.193108    3      1      
iter:  12  01:15:05  -6.36  -4.38  -414.193317    2      1      
iter:  13  01:17:15  -6.91  -4.65  -414.193092    2      1      
iter:  14  01:19:24  -7.13  -4.70  -414.193393    2      1      
iter:  15  01:21:35  -7.12  -4.80  -414.193252    2      1      
iter:  16  01:23:35  -7.76  -5.00  -414.193250    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961270, -32.853058, 0.255927) |e|*Ang

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

Kinetic:        +20.364385
Potential:     -138.121057
External:        +0.000000
XC:            -306.190850
Entropy (-ST):   -1.549853
Local:          +10.529198
--------------------------
Free energy:   -414.968177
Extrapolated:  -414.193250

Fermi level: -6.32119

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.40405    0.15468
  0   340     -6.37672    0.14119
  0   341     -6.37487    0.14024
  0   342     -6.34300    0.12318

  1   339     -6.29875    0.19739
  1   340     -6.24818    0.14451
  1   341     -6.20909    0.10925
  1   342     -6.20648    0.10712



Forces in eV/Ang:
  0 O     0.00000   -0.01812    1.17427
  1 Pt   -0.00000    0.00621   -0.37968
  2 Pt    0.00000   -0.01908   -0.43638
  3 O    -1.68441   -0.00006   -0.71904
  4 O     1.68441   -0.00006   -0.71904
  5 O     0.00000   -0.01021   -1.40415
  6 O     0.00000   -0.00266    1.76649
  7 Pt   -0.00000    0.01345    0.44934
  8 Pt    0.00000   -0.04451    0.78900
  9 O    -1.58140    0.00115    0.04849
 10 O     1.58140    0.00115    0.04849
 11 O     0.00000   -0.00886   -0.56030
 12 O     0.00000    0.00047    0.05991
 13 Pt   -0.00000    0.08507   -0.01653
 14 Pt    0.00000   -0.01975   -0.00069
 15 O    -0.00082    0.00954    0.00277
 16 O     0.00082    0.00954    0.00277
 17 O     0.00000   -0.15123   -0.26342
 18 O    -0.00000    0.00217    0.01831
 19 Pt    0.00000   -0.03957    0.01560
 20 Pt   -0.00000    0.28192    0.00574
 21 O    -0.11849    0.19394    0.15199
 22 O     0.11849    0.19394    0.15199
 23 O     0.00000   -0.01487   -0.01716
 24 O     0.00000    0.00029    1.15194
 25 Pt   -0.00000    0.00821   -0.38263
 26 Pt    0.00000   -0.00012   -0.43443
 27 O    -1.69280    0.01370   -0.71838
 28 O     1.69280    0.01370   -0.71838
 29 O    -0.00000    0.05647   -1.38620
 30 O     0.00000   -0.00490    1.82865
 31 Pt   -0.00000    0.01920    0.50886
 32 Pt    0.00000   -0.17646    0.55211
 33 O    -1.61439   -0.01915    0.06838
 34 O     1.61439   -0.01915    0.06838
 35 O     0.00000   -0.03253   -0.52137
 36 O    -0.00000    0.08862   -0.06759
 37 Pt    0.00000   -0.07348   -0.01713
 38 Pt    0.00000   -0.00495   -0.01077
 39 O     0.01041    0.01272    0.01485
 40 O    -0.01041    0.01272    0.01485
 41 O     0.00000    0.00531   -0.02844
 42 O    -0.00000    0.01939   -0.01014
 43 Pt   -0.00000    0.00622   -0.03109
 44 Pt   -0.00000    0.01326   -0.01647
 45 O    -0.03944   -0.10966   -0.00196
 46 O     0.03944   -0.10966   -0.00196
 47 O     0.00000   -0.02758   -0.01209
 48 O    -0.00000    0.02168    1.17381
 49 Pt    0.00000   -0.02315   -0.38390
 50 Pt   -0.00000    0.02116   -0.43647
 51 O    -1.69140   -0.01390   -0.71921
 52 O     1.69140   -0.01390   -0.71921
 53 O     0.00000   -0.02108   -1.40018
 54 O     0.00000   -0.00169    1.77172
 55 Pt    0.00000   -0.01197    0.51282
 56 Pt   -0.00000    0.15706    0.62674
 57 O    -1.61279    0.01408    0.09594
 58 O     1.61279    0.01408    0.09594
 59 O     0.00000   -0.02120   -0.51293
 60 O     0.00000   -0.07925   -0.06556
 61 Pt   -0.00000    0.00760   -0.02360
 62 Pt   -0.00000    0.01735   -0.00664
 63 O    -0.00444   -0.00767    0.00142
 64 O     0.00444   -0.00767    0.00142
 65 O     0.00000   -0.00429   -0.00170
 66 O     0.00000    0.00326    0.00316
 67 Pt   -0.00000    0.00980    0.00465
 68 Pt   -0.00000    0.10268   -0.03072
 69 O    -0.00618   -0.00405   -0.00445
 70 O     0.00618   -0.00405   -0.00445
 71 O    -0.00000    0.00811   -0.01846
 72 N    -0.00000    0.18923    0.50659
 73 N     0.00000   -0.64989   -0.29488

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O          Pt            
            Pt   N     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    2.618908   24.355944    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.083843   23.392572    ( 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  01:29:14  -3.20   +inf  -414.232689    3      1      
iter:   2  01:31:21  -3.21  -2.77  -415.454639    3      1      
iter:   3  01:33:31  -3.53  -2.07  -414.199169    3      1      
iter:   4  01:35:42  -4.21  -3.50  -414.192566    3      1      
iter:   5  01:37:52  -4.70  -3.83  -414.193714    3      1      
iter:   6  01:40:02  -4.87  -3.82  -414.191673    3      1      
iter:   7  01:42:13  -5.21  -4.07  -414.191562    3      1      
iter:   8  01:44:25  -5.58  -4.18  -414.191758    2      1      
iter:   9  01:46:36  -5.97  -4.34  -414.191550    2      1      
iter:  10  01:48:46  -6.48  -4.53  -414.191987    2      1      
iter:  11  01:50:56  -6.35  -4.04  -414.191822    3      1      
iter:  12  01:53:06  -6.69  -4.30  -414.191437    2      1      
iter:  13  01:55:19  -6.92  -4.60  -414.191652    2      1      
iter:  14  01:57:29  -7.07  -4.89  -414.191650    2      1      
iter:  15  01:59:39  -7.23  -4.97  -414.191679    2      1      
iter:  16  02:01:37  -7.39  -4.88  -414.191591    2      1      
iter:  17  02:03:35  -7.82  -4.75  -414.191615    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961310, -32.847366, 0.252184) |e|*Ang

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

Kinetic:        +20.239770
Potential:     -138.038620
External:        +0.000000
XC:            -306.146461
Entropy (-ST):   -1.550216
Local:          +10.528804
--------------------------
Free energy:   -414.966724
Extrapolated:  -414.191615

Fermi level: -6.32359

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.40621    0.15457
  0   340     -6.37946    0.14137
  0   341     -6.37763    0.14043
  0   342     -6.34539    0.12318

  1   339     -6.30128    0.19754
  1   340     -6.25077    0.14471
  1   341     -6.21164    0.10938
  1   342     -6.20864    0.10692



Forces in eV/Ang:
  0 O     0.00000   -0.01811    1.17398
  1 Pt   -0.00000    0.00592   -0.37890
  2 Pt    0.00000   -0.01908   -0.43576
  3 O    -1.68257   -0.00006   -0.71917
  4 O     1.68257   -0.00006   -0.71917
  5 O     0.00000   -0.01024   -1.40423
  6 O     0.00000   -0.00266    1.77335
  7 Pt   -0.00000    0.01351    0.45183
  8 Pt    0.00000   -0.04443    0.78960
  9 O    -1.58122    0.00109    0.04915
 10 O     1.58122    0.00109    0.04915
 11 O     0.00000   -0.00886   -0.56040
 12 O     0.00000    0.00065    0.06216
 13 Pt   -0.00000    0.08812   -0.01597
 14 Pt    0.00000   -0.01967    0.00049
 15 O    -0.00122    0.00957    0.00327
 16 O     0.00122    0.00957    0.00327
 17 O     0.00000   -0.14695   -0.27549
 18 O    -0.00000    0.00223    0.01811
 19 Pt    0.00000   -0.03944    0.01697
 20 Pt   -0.00000    0.27479    0.00188
 21 O    -0.12249    0.20057    0.15426
 22 O     0.12249    0.20057    0.15426
 23 O     0.00000   -0.01509   -0.01945
 24 O     0.00000    0.00024    1.15159
 25 Pt   -0.00000    0.00850   -0.38185
 26 Pt    0.00000   -0.00014   -0.43387
 27 O    -1.69096    0.01370   -0.71851
 28 O     1.69096    0.01370   -0.71851
 29 O    -0.00000    0.05618   -1.38703
 30 O     0.00000   -0.00495    1.83555
 31 Pt   -0.00000    0.01915    0.51136
 32 Pt    0.00000   -0.17560    0.55456
 33 O    -1.61422   -0.01910    0.06902
 34 O     1.61422   -0.01910    0.06902
 35 O     0.00000   -0.03258   -0.52129
 36 O    -0.00000    0.09213   -0.06924
 37 Pt    0.00000   -0.07776   -0.01655
 38 Pt    0.00000   -0.00491   -0.00964
 39 O     0.00999    0.01269    0.01540
 40 O    -0.00999    0.01269    0.01540
 41 O     0.00000    0.00534   -0.02301
 42 O    -0.00000    0.01963   -0.01067
 43 Pt   -0.00000    0.00602   -0.03001
 44 Pt   -0.00000    0.01071   -0.01669
 45 O    -0.04419   -0.11779    0.00115
 46 O     0.04419   -0.11779    0.00115
 47 O     0.00000   -0.02707   -0.01339
 48 O    -0.00000    0.02171    1.17347
 49 Pt    0.00000   -0.02313   -0.38304
 50 Pt   -0.00000    0.02117   -0.43590
 51 O    -1.68958   -0.01390   -0.71934
 52 O     1.68958   -0.01390   -0.71934
 53 O     0.00000   -0.02084   -1.40105
 54 O     0.00000   -0.00162    1.77864
 55 Pt    0.00000   -0.01198    0.51541
 56 Pt   -0.00000    0.15629    0.62911
 57 O    -1.61267    0.01407    0.09640
 58 O     1.61267    0.01407    0.09640
 59 O     0.00000   -0.02114   -0.51287
 60 O     0.00000   -0.08255   -0.06712
 61 Pt   -0.00000    0.00754   -0.02376
 62 Pt   -0.00000    0.01728   -0.00551
 63 O    -0.00528   -0.00769    0.00187
 64 O     0.00528   -0.00769    0.00187
 65 O     0.00000   -0.00432    0.00363
 66 O     0.00000    0.00287    0.00262
 67 Pt   -0.00000    0.00992    0.00517
 68 Pt   -0.00000    0.10441   -0.03039
 69 O    -0.00716   -0.00397   -0.00549
 70 O     0.00716   -0.00397   -0.00549
 71 O    -0.00000    0.00784   -0.01965
 72 N    -0.00000    0.05313    0.45154
 73 N     0.00000   -0.60923   -0.20028

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O          Pt            
            Pt   N     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    2.633445   24.361931    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.086934   23.403199    ( 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  02:08:11  -3.12   +inf  -414.225507    3      1      
iter:   2  02:10:23  -3.26  -2.82  -415.287219    3      1      
iter:   3  02:12:34  -3.62  -2.10  -414.200732    2      1      
iter:   4  02:14:45  -4.23  -3.36  -414.193610    3      1      
iter:   5  02:16:54  -4.57  -3.62  -414.193830    3      1      
iter:   6  02:19:04  -4.80  -3.90  -414.192361    3      1      
iter:   7  02:21:15  -5.02  -3.96  -414.192084    3      1      
iter:   8  02:23:27  -5.44  -4.11  -414.192133    2      1      
iter:   9  02:25:39  -5.69  -4.29  -414.191689    2      1      
iter:  10  02:27:50  -6.43  -4.36  -414.192518    2      1      
iter:  11  02:29:59  -6.38  -4.25  -414.191808    2      1      
iter:  12  02:32:09  -6.38  -4.29  -414.192005    2      1      
iter:  13  02:34:21  -6.82  -4.32  -414.192027    2      1      
iter:  14  02:36:31  -6.90  -4.74  -414.192050    2      1      
iter:  15  02:38:42  -7.08  -4.74  -414.192090    2      1      
iter:  16  02:40:53  -7.17  -4.73  -414.191875    2      1      
iter:  17  02:43:05  -7.74  -4.92  -414.192029    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961354, -32.840556, 0.248234) |e|*Ang

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

Kinetic:        +19.952420
Potential:     -137.827427
External:        +0.000000
XC:            -306.069458
Entropy (-ST):   -1.550584
Local:          +10.527728
--------------------------
Free energy:   -414.967320
Extrapolated:  -414.192029

Fermi level: -6.32724

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.40978    0.15453
  0   340     -6.38295    0.14129
  0   341     -6.38112    0.14035
  0   342     -6.34926    0.12330

  1   339     -6.30477    0.19737
  1   340     -6.25431    0.14460
  1   341     -6.21539    0.10946
  1   342     -6.21213    0.10679



Forces in eV/Ang:
  0 O     0.00000   -0.01809    1.17404
  1 Pt   -0.00000    0.00560   -0.37914
  2 Pt    0.00000   -0.01907   -0.43629
  3 O    -1.68316   -0.00005   -0.71901
  4 O     1.68316   -0.00005   -0.71901
  5 O     0.00000   -0.01028   -1.40356
  6 O     0.00000   -0.00269    1.77044
  7 Pt   -0.00000    0.01355    0.45136
  8 Pt    0.00000   -0.04430    0.78780
  9 O    -1.58111    0.00102    0.04964
 10 O     1.58111    0.00102    0.04964
 11 O     0.00000   -0.00885   -0.56056
 12 O     0.00000    0.00093    0.06517
 13 Pt   -0.00000    0.09207   -0.01691
 14 Pt    0.00000   -0.01962    0.00052
 15 O    -0.00091    0.00957    0.00397
 16 O     0.00091    0.00957    0.00397
 17 O     0.00000   -0.14057   -0.29236
 18 O    -0.00000    0.00227    0.01895
 19 Pt    0.00000   -0.03939    0.01837
 20 Pt   -0.00000    0.26350    0.00556
 21 O    -0.12530    0.20612    0.15684
 22 O     0.12530    0.20612    0.15684
 23 O     0.00000   -0.01534   -0.02107
 24 O     0.00000    0.00020    1.15156
 25 Pt   -0.00000    0.00884   -0.38211
 26 Pt    0.00000   -0.00016   -0.43445
 27 O    -1.69157    0.01370   -0.71836
 28 O     1.69157    0.01370   -0.71836
 29 O    -0.00000    0.05589   -1.38709
 30 O     0.00000   -0.00493    1.83268
 31 Pt   -0.00000    0.01912    0.51092
 32 Pt    0.00000   -0.17459    0.55486
 33 O    -1.61409   -0.01906    0.06949
 34 O     1.61409   -0.01906    0.06949
 35 O     0.00000   -0.03258   -0.52127
 36 O    -0.00000    0.09562   -0.07057
 37 Pt    0.00000   -0.08362   -0.01747
 38 Pt    0.00000   -0.00491   -0.00977
 39 O     0.01022    0.01267    0.01609
 40 O    -0.01022    0.01267    0.01609
 41 O     0.00000    0.00516   -0.02462
 42 O    -0.00000    0.01985   -0.01025
 43 Pt   -0.00000    0.00583   -0.02840
 44 Pt   -0.00000    0.00754   -0.01665
 45 O    -0.04866   -0.12561    0.00633
 46 O     0.04866   -0.12561    0.00633
 47 O     0.00000   -0.02673   -0.01421
 48 O    -0.00000    0.02173    1.17344
 49 Pt    0.00000   -0.02312   -0.38320
 50 Pt   -0.00000    0.02119   -0.43644
 51 O    -1.69021   -0.01391   -0.71916
 52 O     1.69021   -0.01391   -0.71916
 53 O     0.00000   -0.02062   -1.40118
 54 O     0.00000   -0.00163    1.77580
 55 Pt    0.00000   -0.01199    0.51500
 56 Pt   -0.00000    0.15540    0.62937
 57 O    -1.61256    0.01406    0.09664
 58 O     1.61256    0.01406    0.09664
 59 O     0.00000   -0.02114   -0.51288
 60 O     0.00000   -0.08587   -0.06832
 61 Pt   -0.00000    0.00757   -0.02586
 62 Pt   -0.00000    0.01727   -0.00564
 63 O    -0.00544   -0.00769    0.00259
 64 O     0.00544   -0.00769    0.00259
 65 O     0.00000   -0.00413    0.00191
 66 O     0.00000    0.00250    0.00305
 67 Pt   -0.00000    0.01006    0.00531
 68 Pt   -0.00000    0.10604   -0.02994
 69 O    -0.00704   -0.00387   -0.00633
 70 O     0.00704   -0.00387   -0.00633
 71 O    -0.00000    0.00777   -0.02035
 72 N    -0.00000    0.08478    0.30721
 73 N     0.00000   -0.47324    0.00349

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O          Pt            
            Pt   N     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    2.648352   24.368749    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.089664   23.415886    ( 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  02:49:28  -3.05   +inf  -414.191784    3      1      
iter:   2  02:51:39  -3.76  -3.29  -414.242987    3      1      
iter:   3  02:53:49  -4.15  -2.81  -414.206392    3      1      
iter:   4  02:55:59  -4.55  -3.15  -414.194378    3      1      
iter:   5  02:58:10  -4.67  -3.69  -414.193385    3      1      
iter:   6  03:00:20  -4.89  -4.03  -414.193795    3      1      
iter:   7  03:02:32  -5.36  -3.90  -414.193144    2      1      
iter:   8  03:04:42  -5.75  -4.39  -414.193171    2      1      
iter:   9  03:06:52  -5.85  -4.32  -414.193083    3      1      
iter:  10  03:09:04  -6.10  -4.34  -414.192631    2      1      
iter:  11  03:11:16  -6.45  -4.34  -414.193074    2      1      
iter:  12  03:13:27  -6.95  -4.55  -414.192958    2      1      
iter:  13  03:15:37  -6.90  -4.60  -414.193145    2      1      
iter:  14  03:17:47  -6.90  -4.52  -414.193050    2      1      
iter:  15  03:19:58  -7.23  -4.90  -414.193068    2      1      
iter:  16  03:21:56  -7.53  -4.76  -414.193114    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961375, -32.833566, 0.244061) |e|*Ang

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

Kinetic:        +19.738167
Potential:     -137.675616
External:        +0.000000
XC:            -306.006070
Entropy (-ST):   -1.550932
Local:          +10.525872
--------------------------
Free energy:   -414.968580
Extrapolated:  -414.193114

Fermi level: -6.33076

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.41300    0.15439
  0   340     -6.38646    0.14128
  0   341     -6.38464    0.14034
  0   342     -6.35292    0.12337

  1   339     -6.30814    0.19719
  1   340     -6.25783    0.14460
  1   341     -6.21901    0.10954
  1   342     -6.21541    0.10660



Forces in eV/Ang:
  0 O     0.00000   -0.01806    1.17416
  1 Pt   -0.00000    0.00525   -0.37938
  2 Pt    0.00000   -0.01907   -0.43620
  3 O    -1.68353   -0.00003   -0.71909
  4 O     1.68353   -0.00003   -0.71909
  5 O     0.00000   -0.01031   -1.40285
  6 O     0.00000   -0.00266    1.76925
  7 Pt   -0.00000    0.01355    0.45042
  8 Pt    0.00000   -0.04412    0.78599
  9 O    -1.58102    0.00093    0.04920
 10 O     1.58102    0.00093    0.04920
 11 O     0.00000   -0.00885   -0.56120
 12 O    -0.00000    0.00127    0.06793
 13 Pt   -0.00000    0.09667   -0.01802
 14 Pt    0.00000   -0.01966    0.00119
 15 O    -0.00033    0.00957    0.00374
 16 O     0.00033    0.00957    0.00374
 17 O     0.00000   -0.13288   -0.31261
 18 O    -0.00000    0.00220    0.01948
 19 Pt    0.00000   -0.03904    0.01972
 20 Pt   -0.00000    0.24901    0.00503
 21 O    -0.12867    0.21287    0.16001
 22 O     0.12867    0.21287    0.16001
 23 O     0.00000   -0.01548   -0.02319
 24 O     0.00000    0.00014    1.15161
 25 Pt   -0.00000    0.00921   -0.38233
 26 Pt    0.00000   -0.00020   -0.43435
 27 O    -1.69194    0.01367   -0.71843
 28 O     1.69194    0.01367   -0.71843
 29 O    -0.00000    0.05553   -1.38724
 30 O     0.00000   -0.00494    1.83180
 31 Pt   -0.00000    0.01913    0.50996
 32 Pt    0.00000   -0.17338    0.55538
 33 O    -1.61400   -0.01898    0.06901
 34 O     1.61400   -0.01898    0.06901
 35 O     0.00000   -0.03259   -0.52181
 36 O    -0.00000    0.10036   -0.07315
 37 Pt    0.00000   -0.09031   -0.01863
 38 Pt    0.00000   -0.00481   -0.00943
 39 O     0.01080    0.01264    0.01580
 40 O    -0.01080    0.01264    0.01580
 41 O     0.00000    0.00500   -0.02368
 42 O    -0.00000    0.02016   -0.01020
 43 Pt   -0.00000    0.00559   -0.02667
 44 Pt   -0.00000    0.00386   -0.01632
 45 O    -0.05422   -0.13511    0.01359
 46 O     0.05422   -0.13511    0.01359
 47 O     0.00000   -0.02646   -0.01519
 48 O    -0.00000    0.02176    1.17349
 49 Pt    0.00000   -0.02310   -0.38329
 50 Pt   -0.00000    0.02122   -0.43635
 51 O    -1.69059   -0.01391   -0.71923
 52 O     1.69059   -0.01391   -0.71923
 53 O     0.00000   -0.02035   -1.40145
 54 O     0.00000   -0.00163    1.77492
 55 Pt    0.00000   -0.01199    0.51418
 56 Pt   -0.00000    0.15430    0.62992
 57 O    -1.61251    0.01405    0.09589
 58 O     1.61251    0.01405    0.09589
 59 O     0.00000   -0.02114   -0.51335
 60 O     0.00000   -0.09041   -0.07084
 61 Pt   -0.00000    0.00756   -0.02833
 62 Pt   -0.00000    0.01726   -0.00537
 63 O    -0.00540   -0.00768    0.00220
 64 O     0.00540   -0.00768    0.00220
 65 O     0.00000   -0.00399    0.00238
 66 O     0.00000    0.00214    0.00300
 67 Pt   -0.00000    0.01001    0.00572
 68 Pt   -0.00000    0.10831   -0.02886
 69 O    -0.00704   -0.00389   -0.00691
 70 O     0.00704   -0.00389   -0.00691
 71 O    -0.00000    0.00766   -0.02103
 72 N     0.00000   -0.03841    0.06347
 73 N     0.00000   -0.38425    0.11035

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O          Pt            
            Pt   N     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    2.663909   24.374270    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.091689   23.428747    ( 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  03:27:16  -3.03   +inf  -414.191299    3      1      
iter:   2  03:29:26  -3.71  -3.19  -414.226497    3      1      
iter:   3  03:31:35  -4.10  -2.98  -414.209959    3      1      
iter:   4  03:33:45  -4.51  -3.03  -414.194658    3      1      
iter:   5  03:35:54  -4.65  -3.68  -414.193398    3      1      
iter:   6  03:38:05  -4.89  -4.16  -414.193885    3      1      
iter:   7  03:40:17  -5.46  -4.01  -414.193480    2      1      
iter:   8  03:42:26  -5.78  -4.42  -414.193433    2      1      
iter:   9  03:44:36  -5.82  -4.47  -414.193470    3      1      
iter:  10  03:46:48  -6.16  -4.27  -414.192895    2      1      
iter:  11  03:48:57  -6.48  -4.33  -414.193346    2      1      
iter:  12  03:51:07  -6.94  -4.54  -414.193251    2      1      
iter:  13  03:53:17  -6.86  -4.53  -414.193474    2      1      
iter:  14  03:55:28  -6.93  -4.55  -414.193360    2      1      
iter:  15  03:57:24  -7.28  -4.95  -414.193363    2      1      
iter:  16  03:59:22  -7.73  -4.82  -414.193430    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961413, -32.826293, 0.239283) |e|*Ang

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

Kinetic:        +19.584385
Potential:     -137.571108
External:        +0.000000
XC:            -305.955613
Entropy (-ST):   -1.551416
Local:          +10.524614
--------------------------
Free energy:   -414.969138
Extrapolated:  -414.193430

Fermi level: -6.33477

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.41663    0.15421
  0   340     -6.39043    0.14126
  0   341     -6.38862    0.14033
  0   342     -6.35707    0.12345

  1   339     -6.31206    0.19710
  1   340     -6.26181    0.14456
  1   341     -6.22313    0.10964
  1   342     -6.21922    0.10644



Forces in eV/Ang:
  0 O     0.00000   -0.01803    1.17415
  1 Pt   -0.00000    0.00490   -0.37925
  2 Pt    0.00000   -0.01907   -0.43616
  3 O    -1.68363   -0.00002   -0.71912
  4 O     1.68363   -0.00002   -0.71912
  5 O     0.00000   -0.01037   -1.40215
  6 O     0.00000   -0.00267    1.76891
  7 Pt   -0.00000    0.01364    0.45033
  8 Pt    0.00000   -0.04396    0.78456
  9 O    -1.58106    0.00090    0.04929
 10 O     1.58106    0.00090    0.04929
 11 O     0.00000   -0.00885   -0.56136
 12 O    -0.00000    0.00165    0.07082
 13 Pt   -0.00000    0.10146   -0.01909
 14 Pt    0.00000   -0.01964    0.00129
 15 O    -0.00027    0.00966    0.00378
 16 O     0.00027    0.00966    0.00378
 17 O     0.00000   -0.12489   -0.33330
 18 O    -0.00000    0.00215    0.01982
 19 Pt    0.00000   -0.03875    0.02190
 20 Pt   -0.00000    0.23383    0.00721
 21 O    -0.13210    0.21933    0.16320
 22 O     0.13210    0.21933    0.16320
 23 O     0.00000   -0.01547   -0.02488
 24 O     0.00000    0.00009    1.15153
 25 Pt   -0.00000    0.00958   -0.38220
 26 Pt    0.00000   -0.00020   -0.43439
 27 O    -1.69205    0.01366   -0.71847
 28 O     1.69205    0.01366   -0.71847
 29 O    -0.00000    0.05520   -1.38738
 30 O     0.00000   -0.00489    1.83145
 31 Pt   -0.00000    0.01906    0.50990
 32 Pt    0.00000   -0.17219    0.55620
 33 O    -1.61402   -0.01898    0.06906
 34 O     1.61402   -0.01898    0.06906
 35 O     0.00000   -0.03257   -0.52182
 36 O    -0.00000    0.10482   -0.07523
 37 Pt    0.00000   -0.09726   -0.01979
 38 Pt    0.00000   -0.00486   -0.00953
 39 O     0.01080    0.01255    0.01583
 40 O    -0.01080    0.01255    0.01583
 41 O     0.00000    0.00492   -0.02306
 42 O    -0.00000    0.02046   -0.01037
 43 Pt   -0.00000    0.00527   -0.02376
 44 Pt    0.00000    0.00016   -0.01489
 45 O    -0.06017   -0.14450    0.02143
 46 O     0.06017   -0.14450    0.02143
 47 O     0.00000   -0.02635   -0.01577
 48 O    -0.00000    0.02177    1.17342
 49 Pt    0.00000   -0.02308   -0.38304
 50 Pt   -0.00000    0.02121   -0.43636
 51 O    -1.69074   -0.01391   -0.71924
 52 O     1.69074   -0.01391   -0.71924
 53 O     0.00000   -0.02008   -1.40169
 54 O     0.00000   -0.00167    1.77455
 55 Pt    0.00000   -0.01200    0.51412
 56 Pt   -0.00000    0.15323    0.63076
 57 O    -1.61256    0.01403    0.09568
 58 O     1.61256    0.01403    0.09568
 59 O     0.00000   -0.02115   -0.51336
 60 O     0.00000   -0.09476   -0.07288
 61 Pt   -0.00000    0.00754   -0.03066
 62 Pt   -0.00000    0.01733   -0.00546
 63 O    -0.00576   -0.00769    0.00219
 64 O     0.00576   -0.00769    0.00219
 65 O     0.00000   -0.00397    0.00255
 66 O     0.00000    0.00176    0.00285
 67 Pt   -0.00000    0.01004    0.00658
 68 Pt   -0.00000    0.11040   -0.02730
 69 O    -0.00727   -0.00391   -0.00727
 70 O     0.00727   -0.00391   -0.00727
 71 O    -0.00000    0.00759   -0.02143
 72 N     0.00000   -0.09656    0.01171
 73 N     0.00000   -0.31062    0.20641

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.679817   24.380889    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.093372   23.443799    ( 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  04:03:56  -2.95   +inf  -414.192075    3      1      
iter:   2  04:06:05  -3.67  -3.19  -414.218507    3      1      
iter:   3  04:08:15  -4.13  -3.04  -414.197365    3      1      
iter:   4  04:10:25  -4.57  -3.42  -414.195245    2      1      
iter:   5  04:12:35  -4.63  -3.97  -414.195033    3      1      
iter:   6  04:14:45  -4.80  -3.76  -414.194791    3      1      
iter:   7  04:16:55  -5.56  -4.26  -414.194690    2      1      
iter:   8  04:19:04  -5.71  -4.19  -414.194748    3      1      
iter:   9  04:21:14  -5.75  -4.36  -414.193774    2      1      
iter:  10  04:23:24  -6.25  -4.21  -414.194602    2      1      
iter:  11  04:25:36  -6.35  -4.26  -414.194448    2      1      
iter:  12  04:27:47  -6.81  -4.40  -414.194419    2      1      
iter:  13  04:29:56  -6.92  -4.71  -414.194538    2      1      
iter:  14  04:32:06  -6.86  -4.78  -414.194536    2      1      
iter:  15  04:34:05  -7.26  -4.90  -414.194573    2      1      
iter:  16  04:36:01  -7.55  -5.10  -414.194423    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961462, -32.817864, 0.233291) |e|*Ang

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

Kinetic:        +19.484571
Potential:     -137.512826
External:        +0.000000
XC:            -305.912622
Entropy (-ST):   -1.552293
Local:          +10.522600
--------------------------
Free energy:   -414.970569
Extrapolated:  -414.194423

Fermi level: -6.33959

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.42118    0.15408
  0   340     -6.39511    0.14119
  0   341     -6.39332    0.14026
  0   342     -6.36218    0.12361

  1   339     -6.31697    0.19720
  1   340     -6.26647    0.14441
  1   341     -6.22814    0.10979
  1   342     -6.22395    0.10637



Forces in eV/Ang:
  0 O     0.00000   -0.01801    1.17406
  1 Pt   -0.00000    0.00450   -0.37833
  2 Pt    0.00000   -0.01908   -0.43525
  3 O    -1.68331   -0.00001   -0.71886
  4 O     1.68331   -0.00001   -0.71886
  5 O     0.00000   -0.01042   -1.40128
  6 O     0.00000   -0.00266    1.76969
  7 Pt   -0.00000    0.01365    0.45072
  8 Pt    0.00000   -0.04374    0.78379
  9 O    -1.58144    0.00081    0.04973
 10 O     1.58144    0.00081    0.04973
 11 O     0.00000   -0.00884   -0.56186
 12 O    -0.00000    0.00200    0.07388
 13 Pt   -0.00000    0.10714   -0.02123
 14 Pt    0.00000   -0.01969    0.00016
 15 O    -0.00022    0.00964    0.00368
 16 O     0.00022    0.00964    0.00368
 17 O     0.00000   -0.11615   -0.35681
 18 O    -0.00000    0.00207    0.02027
 19 Pt    0.00000   -0.03879    0.02309
 20 Pt   -0.00000    0.21750    0.01197
 21 O    -0.13559    0.22634    0.16604
 22 O     0.13559    0.22634    0.16604
 23 O     0.00000   -0.01550   -0.02660
 24 O     0.00000    0.00003    1.15131
 25 Pt   -0.00000    0.00999   -0.38126
 26 Pt    0.00000   -0.00023   -0.43353
 27 O    -1.69174    0.01365   -0.71821
 28 O     1.69174    0.01365   -0.71821
 29 O    -0.00000    0.05479   -1.38723
 30 O     0.00000   -0.00493    1.83246
 31 Pt   -0.00000    0.01906    0.51027
 32 Pt    0.00000   -0.17090    0.55792
 33 O    -1.61441   -0.01892    0.06946
 34 O     1.61441   -0.01892    0.06946
 35 O     0.00000   -0.03260   -0.52214
 36 O    -0.00000    0.10903   -0.07717
 37 Pt    0.00000   -0.10547   -0.02199
 38 Pt    0.00000   -0.00470   -0.01087
 39 O     0.01083    0.01255    0.01572
 40 O    -0.01083    0.01255    0.01572
 41 O     0.00000    0.00483   -0.02688
 42 O    -0.00000    0.02063   -0.01027
 43 Pt   -0.00000    0.00536   -0.02168
 44 Pt    0.00000   -0.00423   -0.01460
 45 O    -0.06656   -0.15487    0.02947
 46 O     0.06656   -0.15487    0.02947
 47 O     0.00000   -0.02624   -0.01637
 48 O    -0.00000    0.02180    1.17320
 49 Pt    0.00000   -0.02305   -0.38202
 50 Pt   -0.00000    0.02125   -0.43550
 51 O    -1.69044   -0.01392   -0.71896
 52 O     1.69044   -0.01392   -0.71896
 53 O     0.00000   -0.01977   -1.40168
 54 O     0.00000   -0.00166    1.77554
 55 Pt    0.00000   -0.01201    0.51469
 56 Pt   -0.00000    0.15204    0.63254
 57 O    -1.61299    0.01401    0.09584
 58 O     1.61299    0.01401    0.09584
 59 O     0.00000   -0.02112   -0.51364
 60 O     0.00000   -0.09885   -0.07477
 61 Pt   -0.00000    0.00758   -0.03464
 62 Pt   -0.00000    0.01726   -0.00678
 63 O    -0.00640   -0.00769    0.00219
 64 O     0.00640   -0.00769    0.00219
 65 O     0.00000   -0.00383   -0.00154
 66 O     0.00000    0.00154    0.00287
 67 Pt   -0.00000    0.01003    0.00625
 68 Pt   -0.00000    0.11276   -0.02691
 69 O    -0.00664   -0.00390   -0.00782
 70 O     0.00664   -0.00390   -0.00782
 71 O    -0.00000    0.00756   -0.02180
 72 N     0.00000   -0.06884   -0.02797
 73 N     0.00000   -0.32311    0.19095

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.696026   24.387364    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.094079   23.458841    ( 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  04:44:16  -2.93   +inf  -414.196670    3      1      
iter:   2  04:46:27  -3.64  -3.28  -414.277380    3      1      
iter:   3  04:48:38  -4.04  -2.65  -414.199976    2      1      
iter:   4  04:50:50  -4.49  -3.48  -414.195834    3      1      
iter:   5  04:53:00  -4.61  -3.73  -414.196782    3      1      
iter:   6  04:55:10  -4.74  -3.70  -414.195719    3      1      
iter:   7  04:57:24  -5.35  -4.18  -414.195454    2      1      
iter:   8  04:59:36  -5.55  -4.13  -414.195314    3      1      
iter:   9  05:01:46  -5.78  -4.36  -414.194869    2      1      
iter:  10  05:03:56  -6.23  -4.28  -414.195672    2      1      
iter:  11  05:06:08  -6.31  -4.28  -414.194993    2      1      
iter:  12  05:08:21  -6.80  -4.42  -414.195126    2      1      
iter:  13  05:10:33  -6.81  -4.73  -414.195259    2      1      
iter:  14  05:12:44  -6.79  -4.63  -414.195264    2      1      
iter:  15  05:14:42  -7.16  -4.75  -414.195263    2      1      
iter:  16  05:16:40  -7.41  -5.00  -414.195114    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961491, -32.809612, 0.227365) |e|*Ang

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

Kinetic:        +19.277345
Potential:     -137.372583
External:        +0.000000
XC:            -305.844183
Entropy (-ST):   -1.552860
Local:          +10.520737
--------------------------
Free energy:   -414.971544
Extrapolated:  -414.195114

Fermi level: -6.34424

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.42520    0.15378
  0   340     -6.39986    0.14124
  0   341     -6.39810    0.14033
  0   342     -6.36691    0.12365

  1   339     -6.32160    0.19717
  1   340     -6.27117    0.14446
  1   341     -6.23292    0.10990
  1   342     -6.22834    0.10615



Forces in eV/Ang:
  0 O     0.00000   -0.01796    1.17412
  1 Pt   -0.00000    0.00414   -0.37765
  2 Pt    0.00000   -0.01907   -0.43478
  3 O    -1.68275    0.00002   -0.71884
  4 O     1.68275    0.00002   -0.71884
  5 O     0.00000   -0.01049   -1.40077
  6 O     0.00000   -0.00268    1.77194
  7 Pt   -0.00000    0.01374    0.45146
  8 Pt    0.00000   -0.04357    0.78284
  9 O    -1.58146    0.00077    0.04985
 10 O     1.58146    0.00077    0.04985
 11 O     0.00000   -0.00886   -0.56202
 12 O    -0.00000    0.00246    0.07697
 13 Pt   -0.00000    0.11275   -0.02174
 14 Pt    0.00000   -0.01965    0.00114
 15 O    -0.00032    0.00983    0.00392
 16 O     0.00032    0.00983    0.00392
 17 O     0.00000   -0.10712   -0.38073
 18 O    -0.00000    0.00208    0.02048
 19 Pt    0.00000   -0.03832    0.02424
 20 Pt   -0.00000    0.20010    0.01420
 21 O    -0.13956    0.23361    0.16808
 22 O     0.13956    0.23361    0.16808
 23 O     0.00000   -0.01575   -0.02979
 24 O     0.00000   -0.00003    1.15129
 25 Pt   -0.00000    0.01036   -0.38060
 26 Pt    0.00000   -0.00025   -0.43309
 27 O    -1.69120    0.01362   -0.71819
 28 O     1.69120    0.01362   -0.71819
 29 O    -0.00000    0.05443   -1.38757
 30 O     0.00000   -0.00478    1.83479
 31 Pt   -0.00000    0.01899    0.51104
 32 Pt    0.00000   -0.16950    0.55938
 33 O    -1.61440   -0.01892    0.06953
 34 O     1.61440   -0.01892    0.06953
 35 O     0.00000   -0.03256   -0.52220
 36 O    -0.00000    0.11404   -0.07941
 37 Pt    0.00000   -0.11345   -0.02264
 38 Pt    0.00000   -0.00488   -0.01019
 39 O     0.01062    0.01237    0.01599
 40 O    -0.01062    0.01237    0.01599
 41 O     0.00000    0.00478   -0.02377
 42 O    -0.00000    0.02101   -0.01070
 43 Pt   -0.00000    0.00480   -0.01983
 44 Pt    0.00000   -0.00826   -0.01508
 45 O    -0.07339   -0.16565    0.03703
 46 O     0.07339   -0.16565    0.03703
 47 O     0.00000   -0.02571   -0.01822
 48 O    -0.00000    0.02183    1.17320
 49 Pt    0.00000   -0.02303   -0.38116
 50 Pt   -0.00000    0.02125   -0.43501
 51 O    -1.68991   -0.01392   -0.71891
 52 O     1.68991   -0.01392   -0.71891
 53 O     0.00000   -0.01947   -1.40215
 54 O     0.00000   -0.00178    1.77790
 55 Pt    0.00000   -0.01202    0.51540
 56 Pt   -0.00000    0.15076    0.63402
 57 O    -1.61304    0.01401    0.09561
 58 O     1.61304    0.01401    0.09561
 59 O     0.00000   -0.02115   -0.51372
 60 O     0.00000   -0.10384   -0.07706
 61 Pt   -0.00000    0.00763   -0.03644
 62 Pt   -0.00000    0.01744   -0.00612
 63 O    -0.00682   -0.00772    0.00234
 64 O     0.00682   -0.00772    0.00234
 65 O     0.00000   -0.00386    0.00088
 66 O     0.00000    0.00100    0.00245
 67 Pt   -0.00000    0.01008    0.00596
 68 Pt   -0.00000    0.11489   -0.02714
 69 O    -0.00746   -0.00385   -0.00939
 70 O     0.00746   -0.00385   -0.00939
 71 O    -0.00000    0.00736   -0.02332
 72 N     0.00000   -0.19925   -0.10300
 73 N     0.00000   -0.26697    0.39330

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.712955   24.392142    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.093891   23.470333    ( 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  05:21:18  -2.96   +inf  -414.224972    3      1      
iter:   2  05:23:28  -3.25  -2.84  -415.153394    3      1      
iter:   3  05:25:37  -3.58  -2.12  -414.206680    3      1      
iter:   4  05:27:47  -4.15  -3.32  -414.198416    3      1      
iter:   5  05:30:00  -4.43  -3.44  -414.196925    3      1      
iter:   6  05:32:11  -4.67  -3.83  -414.196075    3      1      
iter:   7  05:34:21  -4.70  -3.66  -414.194530    3      1      
iter:   8  05:36:30  -5.12  -3.99  -414.194606    3      1      
iter:   9  05:38:41  -5.49  -4.11  -414.194125    2      1      
iter:  10  05:40:53  -6.15  -4.23  -414.195025    3      1      
iter:  11  05:43:05  -6.24  -4.12  -414.194292    2      1      
iter:  12  05:45:15  -6.17  -4.19  -414.194272    3      1      
iter:  13  05:47:25  -6.58  -4.31  -414.194447    2      1      
iter:  14  05:49:37  -6.60  -4.41  -414.194415    2      1      
iter:  15  05:51:35  -6.63  -4.61  -414.194419    2      1      
iter:  16  05:53:32  -6.90  -4.79  -414.194237    2      1      
iter:  17  05:55:31  -7.61  -4.89  -414.194362    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961529, -32.801590, 0.221978) |e|*Ang

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

Kinetic:        +18.643014
Potential:     -136.886772
External:        +0.000000
XC:            -305.693848
Entropy (-ST):   -1.553219
Local:          +10.519854
--------------------------
Free energy:   -414.970972
Extrapolated:  -414.194362

Fermi level: -6.34921

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.42994    0.15367
  0   340     -6.40469    0.14117
  0   341     -6.40293    0.14026
  0   342     -6.37203    0.12373

  1   339     -6.32634    0.19692
  1   340     -6.27607    0.14439
  1   341     -6.23797    0.10996
  1   342     -6.23308    0.10597



Forces in eV/Ang:
  0 O     0.00000   -0.01792    1.17433
  1 Pt   -0.00000    0.00382   -0.37818
  2 Pt    0.00000   -0.01906   -0.43579
  3 O    -1.68355    0.00000   -0.71868
  4 O     1.68355    0.00000   -0.71868
  5 O     0.00000   -0.01055   -1.40014
  6 O     0.00000   -0.00271    1.76791
  7 Pt   -0.00000    0.01383    0.45054
  8 Pt    0.00000   -0.04339    0.78065
  9 O    -1.58130    0.00079    0.04993
 10 O     1.58130    0.00079    0.04993
 11 O     0.00000   -0.00884   -0.56193
 12 O    -0.00000    0.00288    0.07973
 13 Pt   -0.00000    0.11778   -0.02228
 14 Pt    0.00000   -0.01962    0.00109
 15 O    -0.00008    0.00981    0.00439
 16 O     0.00008    0.00981    0.00439
 17 O     0.00000   -0.09961   -0.40006
 18 O    -0.00000    0.00211    0.02093
 19 Pt    0.00000   -0.03836    0.02667
 20 Pt   -0.00000    0.18680    0.02229
 21 O    -0.14295    0.23932    0.16860
 22 O     0.14295    0.23932    0.16860
 23 O     0.00000   -0.01579   -0.03182
 24 O     0.00000   -0.00005    1.15144
 25 Pt   -0.00000    0.01068   -0.38115
 26 Pt    0.00000   -0.00022   -0.43424
 27 O    -1.69200    0.01363   -0.71803
 28 O     1.69200    0.01363   -0.71803
 29 O    -0.00000    0.05411   -1.38769
 30 O     0.00000   -0.00481    1.83064
 31 Pt   -0.00000    0.01894    0.51020
 32 Pt    0.00000   -0.16857    0.55926
 33 O    -1.61421   -0.01896    0.06959
 34 O     1.61421   -0.01896    0.06959
 35 O     0.00000   -0.03258   -0.52195
 36 O    -0.00000    0.11767   -0.08055
 37 Pt    0.00000   -0.12039   -0.02341
 38 Pt    0.00000   -0.00478   -0.01029
 39 O     0.01073    0.01242    0.01646
 40 O    -0.01073    0.01242    0.01646
 41 O     0.00000    0.00464   -0.02420
 42 O    -0.00000    0.02114   -0.01049
 43 Pt   -0.00000    0.00448   -0.01604
 44 Pt    0.00000   -0.01276   -0.01339
 45 O    -0.07928   -0.17410    0.04239
 46 O     0.07928   -0.17410    0.04239
 47 O     0.00000   -0.02527   -0.01953
 48 O    -0.00000    0.02182    1.17335
 49 Pt    0.00000   -0.02300   -0.38169
 50 Pt   -0.00000    0.02122   -0.43613
 51 O    -1.69076   -0.01392   -0.71874
 52 O     1.69076   -0.01392   -0.71874
 53 O     0.00000   -0.01921   -1.40238
 54 O     0.00000   -0.00173    1.77371
 55 Pt    0.00000   -0.01204    0.51456
 56 Pt   -0.00000    0.14989    0.63398
 57 O    -1.61285    0.01399    0.09546
 58 O     1.61285    0.01399    0.09546
 59 O     0.00000   -0.02112   -0.51353
 60 O     0.00000   -0.10768   -0.07828
 61 Pt   -0.00000    0.00777   -0.03859
 62 Pt   -0.00000    0.01732   -0.00610
 63 O    -0.00709   -0.00774    0.00287
 64 O     0.00709   -0.00774    0.00287
 65 O     0.00000   -0.00382   -0.00008
 66 O     0.00000    0.00071    0.00270
 67 Pt   -0.00000    0.01022    0.00635
 68 Pt   -0.00000    0.11703   -0.02680
 69 O    -0.00761   -0.00372   -0.01128
 70 O     0.00761   -0.00372   -0.01128
 71 O    -0.00000    0.00707   -0.02464
 72 N     0.00000   -0.52254   -0.55878
 73 N    -0.00000    0.11004    0.77559

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.693589   24.398333    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.087305   23.490988    ( 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  06:01:13  -2.61   +inf  -415.149230    4      1      
iter:   2  06:03:23  -1.99  -2.15  -430.943811    37     1      
iter:   3  06:05:34  -2.38  -1.56  -414.392345    37     1      
iter:   4  06:07:46  -3.02  -2.45  -414.298581    4      1      
iter:   5  06:09:55  -3.72  -2.71  -414.229038    3      1      
iter:   6  06:12:06  -3.86  -2.99  -414.205426    2      1      
iter:   7  06:14:15  -4.02  -3.29  -414.200961    3      1      
iter:   8  06:16:26  -4.10  -3.26  -414.216177    3      1      
iter:   9  06:18:39  -4.37  -2.96  -414.192060    3      1      
iter:  10  06:20:48  -4.36  -3.64  -414.191540    3      1      
iter:  11  06:22:59  -4.73  -3.75  -414.189464    3      1      
iter:  12  06:25:09  -4.99  -3.77  -414.190630    2      1      
iter:  13  06:27:20  -5.15  -3.86  -414.189638    3      1      
iter:  14  06:29:31  -5.38  -3.85  -414.190319    2      1      
iter:  15  06:31:41  -5.55  -3.55  -414.189535    2      1      
iter:  16  06:33:52  -5.78  -3.94  -414.189217    2      1      
iter:  17  06:36:04  -5.85  -4.20  -414.189527    2      1      
iter:  18  06:38:13  -6.50  -4.41  -414.189092    2      1      
iter:  19  06:40:23  -6.62  -4.41  -414.189341    2      1      
iter:  20  06:42:22  -6.52  -4.54  -414.189343    3      1      
iter:  21  06:44:21  -6.69  -4.29  -414.189267    2      1      
iter:  22  06:46:18  -6.68  -4.18  -414.189312    3      1      
iter:  23  06:48:16  -7.00  -4.91  -414.189304    2      1      
iter:  24  06:50:15  -7.13  -5.02  -414.189384    2      1      
iter:  25  06:52:14  -8.01  -5.02  -414.189298    2      1      

Converged after 25 iterations.

Dipole moment: (-55.961463, -32.802543, 0.219712) |e|*Ang

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

Kinetic:        +21.703809
Potential:     -139.345253
External:        +0.000000
XC:            -306.292259
Entropy (-ST):   -1.553579
Local:          +10.521194
--------------------------
Free energy:   -414.966087
Extrapolated:  -414.189298

Fermi level: -6.35053

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.43068    0.15340
  0   340     -6.40617    0.14125
  0   341     -6.40444    0.14035
  0   342     -6.37342    0.12377

  1   339     -6.32773    0.19700
  1   340     -6.27748    0.14448
  1   341     -6.23942    0.11007
  1   342     -6.23423    0.10583



Forces in eV/Ang:
  0 O     0.00000   -0.01793    1.17371
  1 Pt   -0.00000    0.00354   -0.37803
  2 Pt    0.00000   -0.01908   -0.43555
  3 O    -1.68261    0.00001   -0.71898
  4 O     1.68261    0.00001   -0.71898
  5 O     0.00000   -0.01058   -1.39970
  6 O     0.00000   -0.00270    1.77219
  7 Pt   -0.00000    0.01384    0.45152
  8 Pt    0.00000   -0.04328    0.78060
  9 O    -1.58116    0.00075    0.05001
 10 O     1.58116    0.00075    0.05001
 11 O     0.00000   -0.00885   -0.56232
 12 O    -0.00000    0.00325    0.08242
 13 Pt   -0.00000    0.12111   -0.02279
 14 Pt    0.00000   -0.01965    0.00171
 15 O    -0.00010    0.00983    0.00406
 16 O     0.00010    0.00983    0.00406
 17 O     0.00000   -0.09045   -0.41956
 18 O    -0.00000    0.00182    0.02078
 19 Pt    0.00000   -0.03793    0.03140
 20 Pt   -0.00000    0.16264    0.00185
 21 O    -0.14659    0.24729    0.17623
 22 O     0.14659    0.24729    0.17623
 23 O     0.00000   -0.01487   -0.02831
 24 O     0.00000   -0.00008    1.15078
 25 Pt   -0.00000    0.01102   -0.38094
 26 Pt    0.00000   -0.00020   -0.43402
 27 O    -1.69105    0.01363   -0.71833
 28 O     1.69105    0.01363   -0.71833
 29 O    -0.00000    0.05371   -1.38814
 30 O     0.00000   -0.00486    1.83505
 31 Pt   -0.00000    0.01893    0.51116
 32 Pt    0.00000   -0.16736    0.56134
 33 O    -1.61410   -0.01892    0.06963
 34 O     1.61410   -0.01892    0.06963
 35 O     0.00000   -0.03257   -0.52207
 36 O    -0.00000    0.12260   -0.08334
 37 Pt    0.00000   -0.12638   -0.02417
 38 Pt    0.00000   -0.00462   -0.01015
 39 O     0.01087    0.01234    0.01613
 40 O    -0.01087    0.01234    0.01613
 41 O     0.00000    0.00518   -0.02082
 42 O    -0.00000    0.02146   -0.01097
 43 Pt   -0.00000    0.00514   -0.00962
 44 Pt    0.00000   -0.01600   -0.00861
 45 O    -0.08954   -0.18828    0.06223
 46 O     0.08954   -0.18828    0.06223
 47 O     0.00000   -0.02721   -0.01676
 48 O    -0.00000    0.02184    1.17269
 49 Pt    0.00000   -0.02300   -0.38143
 50 Pt   -0.00000    0.02122   -0.43596
 51 O    -1.68986   -0.01392   -0.71902
 52 O     1.68986   -0.01392   -0.71902
 53 O     0.00000   -0.01892   -1.40287
 54 O     0.00000   -0.00169    1.77807
 55 Pt    0.00000   -0.01204    0.51570
 56 Pt   -0.00000    0.14894    0.63581
 57 O    -1.61274    0.01397    0.09528
 58 O     1.61274    0.01397    0.09528
 59 O     0.00000   -0.02114   -0.51353
 60 O     0.00000   -0.11186   -0.08062
 61 Pt   -0.00000    0.00755   -0.03985
 62 Pt   -0.00000    0.01732   -0.00595
 63 O    -0.00749   -0.00775    0.00244
 64 O     0.00749   -0.00775    0.00244
 65 O     0.00000   -0.00392    0.00251
 66 O     0.00000    0.00058    0.00213
 67 Pt   -0.00000    0.00977    0.00947
 68 Pt   -0.00000    0.11887   -0.02134
 69 O    -0.00760   -0.00406   -0.00966
 70 O     0.00760   -0.00406   -0.00966
 71 O    -0.00000    0.00813   -0.02186
 72 N    -0.00000    1.06282    1.73767
 73 N     0.00000   -1.30373   -1.52115

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.712031   24.393582    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.089313   23.480551    ( 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  07:00:38  -2.84   +inf  -414.577839    4      1      
iter:   2  07:02:47  -2.38  -2.34  -422.228676    2      1      
iter:   3  07:04:57  -2.84  -1.71  -414.326915    4      1      
iter:   4  07:07:08  -3.36  -2.61  -414.221791    3      1      
iter:   5  07:09:20  -3.93  -3.30  -414.213673    2      1      
iter:   6  07:11:30  -4.18  -3.19  -414.208465    3      1      
iter:   7  07:13:39  -4.63  -3.55  -414.207599    3      1      
iter:   8  07:15:52  -4.55  -3.36  -414.201417    3      1      
iter:   9  07:18:02  -4.33  -3.75  -414.200211    3      1      
iter:  10  07:20:12  -4.71  -3.77  -414.198761    3      1      
iter:  11  07:22:22  -5.63  -3.96  -414.199559    2      1      
iter:  12  07:24:31  -5.62  -4.00  -414.198712    2      1      
iter:  13  07:26:42  -5.57  -4.06  -414.199208    2      1      
iter:  14  07:28:50  -5.95  -3.84  -414.199343    2      1      
iter:  15  07:31:00  -6.07  -4.10  -414.199315    3      1      
iter:  16  07:33:11  -5.82  -4.23  -414.199227    3      1      
iter:  17  07:35:24  -5.81  -4.31  -414.198672    3      1      
iter:  18  07:37:33  -6.59  -4.56  -414.198953    2      1      
iter:  19  07:39:31  -7.14  -4.78  -414.198896    2      1      
iter:  20  07:41:29  -7.20  -4.80  -414.198848    2      1      
iter:  21  07:43:29  -7.47  -4.59  -414.198891    2      1      

Converged after 21 iterations.

Dipole moment: (-55.961513, -32.800453, 0.220477) |e|*Ang

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

Kinetic:        +19.412709
Potential:     -137.511749
External:        +0.000000
XC:            -305.839941
Entropy (-ST):   -1.553511
Local:          +10.516845
--------------------------
Free energy:   -414.975647
Extrapolated:  -414.198891

Fermi level: -6.35037

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.43075    0.15351
  0   340     -6.40587    0.14118
  0   341     -6.40414    0.14028
  0   342     -6.37318    0.12373

  1   339     -6.32750    0.19692
  1   340     -6.27728    0.14444
  1   341     -6.23916    0.10999
  1   342     -6.23415    0.10590



Forces in eV/Ang:
  0 O     0.00000   -0.01792    1.17408
  1 Pt   -0.00000    0.00365   -0.37844
  2 Pt    0.00000   -0.01909   -0.43595
  3 O    -1.68338   -0.00003   -0.71877
  4 O     1.68338   -0.00003   -0.71877
  5 O     0.00000   -0.01057   -1.39934
  6 O     0.00000   -0.00265    1.76900
  7 Pt   -0.00000    0.01391    0.45106
  8 Pt    0.00000   -0.04323    0.78093
  9 O    -1.58164    0.00078    0.05021
 10 O     1.58164    0.00078    0.05021
 11 O     0.00000   -0.00885   -0.56173
 12 O    -0.00000    0.00311    0.08146
 13 Pt   -0.00000    0.12082   -0.02311
 14 Pt    0.00000   -0.01982    0.00102
 15 O    -0.00002    0.00994    0.00394
 16 O     0.00002    0.00994    0.00394
 17 O     0.00000   -0.09299   -0.41398
 18 O    -0.00000    0.00189    0.02156
 19 Pt    0.00000   -0.03799    0.02861
 20 Pt   -0.00000    0.17127    0.01766
 21 O    -0.14514    0.24406    0.17146
 22 O     0.14514    0.24406    0.17146
 23 O     0.00000   -0.01586   -0.03327
 24 O     0.00000   -0.00005    1.15114
 25 Pt   -0.00000    0.01088   -0.38135
 26 Pt    0.00000   -0.00014   -0.43449
 27 O    -1.69181    0.01366   -0.71811
 28 O     1.69181    0.01366   -0.71811
 29 O    -0.00000    0.05387   -1.38739
 30 O     0.00000   -0.00487    1.83150
 31 Pt   -0.00000    0.01886    0.51065
 32 Pt    0.00000   -0.16795    0.56085
 33 O    -1.61461   -0.01894    0.06981
 34 O     1.61461   -0.01894    0.06981
 35 O     0.00000   -0.03258   -0.52166
 36 O    -0.00000    0.12094   -0.08193
 37 Pt    0.00000   -0.12500   -0.02436
 38 Pt    0.00000   -0.00446   -0.01058
 39 O     0.01091    0.01227    0.01597
 40 O    -0.01091    0.01227    0.01597
 41 O     0.00000    0.00485   -0.02214
 42 O    -0.00000    0.02196   -0.01016
 43 Pt   -0.00000    0.00450   -0.01326
 44 Pt    0.00000   -0.01449   -0.00874
 45 O    -0.08427   -0.18193    0.05142
 46 O     0.08427   -0.18193    0.05142
 47 O     0.00000   -0.02473   -0.02035
 48 O    -0.00000    0.02181    1.17305
 49 Pt    0.00000   -0.02300   -0.38189
 50 Pt   -0.00000    0.02117   -0.43642
 51 O    -1.69067   -0.01392   -0.71881
 52 O     1.69067   -0.01392   -0.71881
 53 O     0.00000   -0.01904   -1.40224
 54 O     0.00000   -0.00172    1.77444
 55 Pt    0.00000   -0.01203    0.51509
 56 Pt   -0.00000    0.14931    0.63570
 57 O    -1.61326    0.01394    0.09555
 58 O     1.61326    0.01394    0.09555
 59 O     0.00000   -0.02112   -0.51308
 60 O     0.00000   -0.11079   -0.07976
 61 Pt   -0.00000    0.00767   -0.04021
 62 Pt   -0.00000    0.01723   -0.00656
 63 O    -0.00728   -0.00774    0.00245
 64 O     0.00728   -0.00774    0.00245
 65 O     0.00000   -0.00404    0.00094
 66 O     0.00000    0.00002    0.00285
 67 Pt   -0.00000    0.00997    0.00786
 68 Pt   -0.00000    0.11807   -0.02266
 69 O    -0.00775   -0.00388   -0.01073
 70 O     0.00775   -0.00388   -0.01073
 71 O    -0.00000    0.00663   -0.02493
 72 N     0.00000   -0.14064    0.02548
 73 N     0.00000   -0.22995    0.16420

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.714865   24.394470    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.086373   23.485803    ( 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  07:57:41  -3.95   +inf  -414.202973    2      1      
iter:   2  07:59:51  -4.23  -3.35  -414.293703    3      1      
iter:   3  08:02:01  -4.39  -2.62  -414.200152    3      1      
iter:   4  08:04:13  -5.16  -4.06  -414.200054    2      1      
iter:   5  08:06:23  -5.46  -4.42  -414.199810    2      1      
iter:   6  08:08:33  -5.81  -4.32  -414.200153    2      1      
iter:   7  08:10:44  -6.11  -4.44  -414.199938    2      1      
iter:   8  08:12:55  -6.44  -4.81  -414.200000    2      1      
iter:   9  08:15:06  -6.66  -4.74  -414.199985    2      1      
iter:  10  08:17:17  -7.01  -4.71  -414.199972    2      1      
iter:  11  08:19:26  -7.44  -5.15  -414.200006    2      1      

Converged after 11 iterations.

Dipole moment: (-55.961607, -32.797997, 0.217994) |e|*Ang

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

Kinetic:        +19.381994
Potential:     -137.486108
External:        +0.000000
XC:            -305.839554
Entropy (-ST):   -1.553710
Local:          +10.520518
--------------------------
Free energy:   -414.976860
Extrapolated:  -414.200006

Fermi level: -6.35221

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.43229    0.15337
  0   340     -6.40784    0.14124
  0   341     -6.40610    0.14035
  0   342     -6.37505    0.12375

  1   339     -6.32934    0.19692
  1   340     -6.27913    0.14446
  1   341     -6.24109    0.11006
  1   342     -6.23583    0.10577



Forces in eV/Ang:
  0 O     0.00000   -0.01789    1.17385
  1 Pt   -0.00000    0.00352   -0.37775
  2 Pt    0.00000   -0.01908   -0.43517
  3 O    -1.68264   -0.00001   -0.71893
  4 O     1.68264   -0.00001   -0.71893
  5 O     0.00000   -0.01061   -1.39914
  6 O     0.00000   -0.00270    1.77280
  7 Pt   -0.00000    0.01384    0.45233
  8 Pt    0.00000   -0.04316    0.78067
  9 O    -1.58112    0.00068    0.05064
 10 O     1.58112    0.00068    0.05064
 11 O     0.00000   -0.00885   -0.56108
 12 O    -0.00000    0.00335    0.08345
 13 Pt   -0.00000    0.12235   -0.02179
 14 Pt    0.00000   -0.01976    0.00200
 15 O    -0.00004    0.00976    0.00451
 16 O     0.00004    0.00976    0.00451
 17 O     0.00000   -0.08903   -0.42085
 18 O    -0.00000    0.00186    0.02143
 19 Pt    0.00000   -0.03820    0.03238
 20 Pt   -0.00000    0.16371    0.02467
 21 O    -0.14551    0.24506    0.17401
 22 O     0.14551    0.24506    0.17401
 23 O     0.00000   -0.01497   -0.03135
 24 O     0.00000   -0.00011    1.15089
 25 Pt   -0.00000    0.01100   -0.38068
 26 Pt    0.00000   -0.00022   -0.43370
 27 O    -1.69109    0.01366   -0.71827
 28 O     1.69109    0.01366   -0.71827
 29 O    -0.00000    0.05372   -1.38727
 30 O     0.00000   -0.00492    1.83559
 31 Pt   -0.00000    0.01897    0.51199
 32 Pt    0.00000   -0.16742    0.56120
 33 O    -1.61406   -0.01887    0.07023
 34 O     1.61406   -0.01887    0.07023
 35 O     0.00000   -0.03262   -0.52098
 36 O    -0.00000    0.12210   -0.08172
 37 Pt    0.00000   -0.12761   -0.02327
 38 Pt    0.00000   -0.00456   -0.00962
 39 O     0.01085    0.01243    0.01655
 40 O    -0.01085    0.01243    0.01655
 41 O     0.00000    0.00501   -0.02013
 42 O    -0.00000    0.02147   -0.01028
 43 Pt   -0.00000    0.00464   -0.00776
 44 Pt    0.00000   -0.01780   -0.00512
 45 O    -0.08767   -0.18520    0.05914
 46 O     0.08767   -0.18520    0.05914
 47 O     0.00000   -0.02647   -0.01837
 48 O    -0.00000    0.02184    1.17280
 49 Pt    0.00000   -0.02298   -0.38113
 50 Pt   -0.00000    0.02124   -0.43560
 51 O    -1.68989   -0.01393   -0.71896
 52 O     1.68989   -0.01393   -0.71896
 53 O     0.00000   -0.01890   -1.40218
 54 O     0.00000   -0.00161    1.77861
 55 Pt    0.00000   -0.01206    0.51655
 56 Pt   -0.00000    0.14886    0.63606
 57 O    -1.61278    0.01395    0.09594
 58 O     1.61278    0.01395    0.09594
 59 O     0.00000   -0.02109   -0.51244
 60 O     0.00000   -0.11206   -0.07946
 61 Pt   -0.00000    0.00777   -0.03919
 62 Pt   -0.00000    0.01730   -0.00531
 63 O    -0.00750   -0.00773    0.00304
 64 O     0.00750   -0.00773    0.00304
 65 O     0.00000   -0.00420    0.00298
 66 O     0.00000    0.00050    0.00279
 67 Pt   -0.00000    0.00995    0.01036
 68 Pt   -0.00000    0.11990   -0.02006
 69 O    -0.00713   -0.00401   -0.00866
 70 O     0.00713   -0.00401   -0.00866
 71 O    -0.00000    0.00762   -0.02334
 72 N     0.00000   -0.06255    0.07571
 73 N     0.00000   -0.22147    0.10944

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.731233   24.401757    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.066891   23.519073    ( 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  08:24:05  -2.38   +inf  -414.219107    3      1      
iter:   2  08:26:16  -2.98  -2.95  -414.750639    3      1      
iter:   3  08:28:27  -3.41  -2.24  -414.216809    3      1      
iter:   4  08:30:37  -3.83  -3.31  -414.209987    3      1      
iter:   5  08:32:48  -4.04  -3.34  -414.208050    3      1      
iter:   6  08:34:55  -4.19  -3.61  -414.207475    3      1      
iter:   7  08:37:04  -4.47  -3.86  -414.206885    3      1      
iter:   8  08:39:15  -4.91  -3.94  -414.206827    2      1      
iter:   9  08:41:27  -5.19  -4.15  -414.206005    2      1      
iter:  10  08:43:37  -5.57  -4.07  -414.208212    3      1      
iter:  11  08:45:47  -5.71  -3.86  -414.206602    3      1      
iter:  12  08:47:58  -6.25  -4.11  -414.206649    2      1      
iter:  13  08:50:08  -6.48  -4.39  -414.206882    2      1      
iter:  14  08:52:17  -6.44  -4.45  -414.206941    2      1      
iter:  15  08:54:27  -6.62  -4.58  -414.206972    2      1      
iter:  16  08:56:27  -6.89  -4.64  -414.206615    2      1      
iter:  17  08:58:24  -7.40  -4.76  -414.206870    2      1      
iter:  18  09:00:21  -7.99  -4.82  -414.206815    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961659, -32.783675, 0.205697) |e|*Ang

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

Kinetic:        +19.347056
Potential:     -137.519986
External:        +0.000000
XC:            -305.777490
Entropy (-ST):   -1.554903
Local:          +10.521057
--------------------------
Free energy:   -414.984266
Extrapolated:  -414.206815

Fermi level: -6.36233

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.44142    0.15290
  0   340     -6.41793    0.14123
  0   341     -6.41625    0.14036
  0   342     -6.38529    0.12381

  1   339     -6.33931    0.19675
  1   340     -6.28924    0.14445
  1   341     -6.25140    0.11022
  1   342     -6.24548    0.10539



Forces in eV/Ang:
  0 O     0.00000   -0.01779    1.17389
  1 Pt   -0.00000    0.00280   -0.37750
  2 Pt    0.00000   -0.01907   -0.43556
  3 O    -1.68249    0.00003   -0.71895
  4 O     1.68249    0.00003   -0.71895
  5 O     0.00000   -0.01078   -1.39825
  6 O     0.00000   -0.00272    1.77232
  7 Pt   -0.00000    0.01404    0.45185
  8 Pt    0.00000   -0.04266    0.77793
  9 O    -1.58127    0.00068    0.05056
 10 O     1.58127    0.00068    0.05056
 11 O     0.00000   -0.00883   -0.56247
 12 O    -0.00000    0.00459    0.08798
 13 Pt   -0.00000    0.13409   -0.02407
 14 Pt    0.00000   -0.01987    0.00251
 15 O     0.00005    0.01008    0.00446
 16 O    -0.00005    0.01008    0.00446
 17 O     0.00000   -0.06580   -0.47115
 18 O    -0.00000    0.00166    0.02134
 19 Pt    0.00000   -0.03769    0.03404
 20 Pt   -0.00000    0.11337    0.03735
 21 O    -0.15296    0.25794    0.17371
 22 O     0.15296    0.25794    0.17371
 23 O     0.00000   -0.01686   -0.03863
 24 O     0.00000   -0.00021    1.15079
 25 Pt   -0.00000    0.01172   -0.38044
 26 Pt    0.00000   -0.00023   -0.43414
 27 O    -1.69097    0.01360   -0.71829
 28 O     1.69097    0.01360   -0.71829
 29 O    -0.00000    0.05295   -1.38794
 30 O     0.00000   -0.00470    1.83539
 31 Pt   -0.00000    0.01884    0.51162
 32 Pt    0.00000   -0.16482    0.56291
 33 O    -1.61412   -0.01897    0.07006
 34 O     1.61412   -0.01897    0.07006
 35 O     0.00000   -0.03258   -0.52220
 36 O    -0.00000    0.13070   -0.08593
 37 Pt    0.00000   -0.14520   -0.02632
 38 Pt    0.00000   -0.00476   -0.00984
 39 O     0.01064    0.01226    0.01656
 40 O    -0.01064    0.01226    0.01656
 41 O     0.00000    0.00431   -0.01832
 42 O    -0.00000    0.02237   -0.01145
 43 Pt   -0.00000    0.00419   -0.00559
 44 Pt    0.00000   -0.02413   -0.00891
 45 O    -0.10117   -0.20689    0.07319
 46 O     0.10117   -0.20689    0.07319
 47 O     0.00000   -0.02431   -0.02346
 48 O    -0.00000    0.02187    1.17272
 49 Pt    0.00000   -0.02289   -0.38065
 50 Pt   -0.00000    0.02123   -0.43594
 51 O    -1.68980   -0.01393   -0.71894
 52 O     1.68980   -0.01393   -0.71894
 53 O     0.00000   -0.01831   -1.40322
 54 O     0.00000   -0.00182    1.77842
 55 Pt    0.00000   -0.01208    0.51605
 56 Pt   -0.00000    0.14640    0.63800
 57 O    -1.61294    0.01392    0.09518
 58 O     1.61294    0.01392    0.09518
 59 O     0.00000   -0.02114   -0.51381
 60 O     0.00000   -0.12140   -0.08422
 61 Pt   -0.00000    0.00820   -0.04499
 62 Pt   -0.00000    0.01760   -0.00539
 63 O    -0.00826   -0.00782    0.00287
 64 O     0.00826   -0.00782    0.00287
 65 O     0.00000   -0.00386    0.00332
 66 O     0.00000   -0.00053    0.00156
 67 Pt   -0.00000    0.00984    0.00968
 68 Pt   -0.00000    0.12383   -0.02024
 69 O    -0.00851   -0.00384   -0.01234
 70 O     0.00851   -0.00384   -0.01234
 71 O    -0.00000    0.00741   -0.02603
 72 N     0.00000   -0.00540    0.11701
 73 N     0.00000   -0.15774    0.04559

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.748168   24.409333    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.046989   23.553770    ( 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  09:04:58  -2.34   +inf  -414.277749    3      1      
iter:   2  09:07:10  -2.76  -2.66  -416.294791    3      1      
iter:   3  09:09:23  -3.18  -1.96  -414.239104    3      1      
iter:   4  09:11:33  -3.64  -2.97  -414.214948    3      1      
iter:   5  09:13:43  -3.90  -3.39  -414.216865    3      1      
iter:   6  09:15:54  -4.13  -3.40  -414.210630    3      1      
iter:   7  09:18:05  -4.37  -3.77  -414.210603    3      1      
iter:   8  09:20:14  -4.73  -3.81  -414.210542    2      1      
iter:   9  09:22:24  -5.11  -4.00  -414.210901    2      1      
iter:  10  09:24:36  -5.52  -3.90  -414.210367    2      1      
iter:  11  09:26:46  -5.71  -3.82  -414.210453    3      1      
iter:  12  09:28:56  -5.76  -4.07  -414.209704    2      1      
iter:  13  09:31:06  -6.23  -4.15  -414.210562    2      1      
iter:  14  09:33:16  -6.34  -4.31  -414.210398    2      1      
iter:  15  09:35:29  -6.55  -4.61  -414.210308    2      1      
iter:  16  09:37:41  -6.73  -4.26  -414.210498    2      1      
iter:  17  09:39:51  -6.95  -4.47  -414.210388    2      1      
iter:  18  09:41:49  -7.25  -4.98  -414.210437    2      1      
iter:  19  09:43:47  -7.58  -4.86  -414.210257    2      1      

Converged after 19 iterations.

Dipole moment: (-55.961759, -32.767646, 0.192574) |e|*Ang

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

Kinetic:        +18.988500
Potential:     -137.283748
External:        +0.000000
XC:            -305.659861
Entropy (-ST):   -1.556537
Local:          +10.523121
--------------------------
Free energy:   -414.988525
Extrapolated:  -414.210257

Fermi level: -6.37325

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.45162    0.15255
  0   340     -6.42860    0.14110
  0   341     -6.42695    0.14025
  0   342     -6.39654    0.12399

  1   339     -6.35013    0.19665
  1   340     -6.29994    0.14423
  1   341     -6.26256    0.11042
  1   342     -6.25604    0.10510



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17394
  1 Pt   -0.00000    0.00210   -0.37656
  2 Pt    0.00000   -0.01909   -0.43477
  3 O    -1.68251    0.00001   -0.71865
  4 O     1.68251    0.00001   -0.71865
  5 O     0.00000   -0.01089   -1.39657
  6 O     0.00000   -0.00266    1.77145
  7 Pt   -0.00000    0.01404    0.45164
  8 Pt    0.00000   -0.04214    0.77534
  9 O    -1.58168    0.00051    0.05083
 10 O     1.58168    0.00051    0.05083
 11 O     0.00000   -0.00884   -0.56360
 12 O    -0.00000    0.00562    0.09417
 13 Pt   -0.00000    0.14776   -0.02697
 14 Pt    0.00000   -0.02027    0.00172
 15 O     0.00032    0.01001    0.00417
 16 O    -0.00032    0.01001    0.00417
 17 O     0.00000   -0.04523   -0.52949
 18 O    -0.00000    0.00128    0.02226
 19 Pt    0.00000   -0.03722    0.03847
 20 Pt   -0.00000    0.06846    0.04934
 21 O    -0.15894    0.27042    0.17612
 22 O     0.15894    0.27042    0.17612
 23 O     0.00000   -0.01646   -0.04373
 24 O     0.00000   -0.00030    1.15071
 25 Pt   -0.00000    0.01242   -0.37941
 26 Pt    0.00000   -0.00021   -0.43362
 27 O    -1.69098    0.01361   -0.71800
 28 O     1.69098    0.01361   -0.71800
 29 O    -0.00000    0.05207   -1.38772
 30 O     0.00000   -0.00489    1.83462
 31 Pt   -0.00000    0.01887    0.51135
 32 Pt    0.00000   -0.16237    0.56477
 33 O    -1.61456   -0.01886    0.07015
 34 O     1.61456   -0.01886    0.07015
 35 O     0.00000   -0.03264   -0.52292
 36 O    -0.00000    0.14027   -0.08958
 37 Pt    0.00000   -0.16362   -0.02996
 38 Pt    0.00000   -0.00425   -0.01133
 39 O     0.01089    0.01234    0.01624
 40 O    -0.01089    0.01234    0.01624
 41 O     0.00000    0.00393   -0.02161
 42 O    -0.00000    0.02330   -0.01122
 43 Pt   -0.00000    0.00398    0.00301
 44 Pt    0.00000   -0.03425   -0.00377
 45 O    -0.11532   -0.22783    0.09433
 46 O     0.11532   -0.22783    0.09433
 47 O     0.00000   -0.02407   -0.02631
 48 O    -0.00000    0.02190    1.17265
 49 Pt    0.00000   -0.02284   -0.37955
 50 Pt   -0.00000    0.02122   -0.43546
 51 O    -1.68992   -0.01393   -0.71861
 52 O     1.68992   -0.01393   -0.71861
 53 O     0.00000   -0.01760   -1.40344
 54 O     0.00000   -0.00170    1.77749
 55 Pt    0.00000   -0.01206    0.51612
 56 Pt   -0.00000    0.14400    0.64034
 57 O    -1.61349    0.01387    0.09483
 58 O     1.61349    0.01387    0.09483
 59 O     0.00000   -0.02108   -0.51433
 60 O     0.00000   -0.13149   -0.08839
 61 Pt   -0.00000    0.00849   -0.05198
 62 Pt   -0.00000    0.01750   -0.00686
 63 O    -0.00933   -0.00779    0.00270
 64 O     0.00933   -0.00779    0.00270
 65 O     0.00000   -0.00379   -0.00230
 66 O     0.00000   -0.00134    0.00154
 67 Pt   -0.00000    0.00931    0.01014
 68 Pt   -0.00000    0.12976   -0.01745
 69 O    -0.00735   -0.00405   -0.01372
 70 O     0.00735   -0.00405   -0.01372
 71 O    -0.00000    0.00715   -0.02785
 72 N     0.00000   -0.16247    0.01558
 73 N     0.00000   -0.02435    0.10586

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.763316   24.417458    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.027507   23.588706    ( 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  09:48:24  -2.36   +inf  -414.234098    3      1      
iter:   2  09:50:35  -2.95  -2.91  -414.923293    3      1      
iter:   3  09:52:47  -3.36  -2.18  -414.223577    2      1      
iter:   4  09:54:57  -3.77  -3.22  -414.215124    3      1      
iter:   5  09:57:07  -4.00  -3.42  -414.217672    3      1      
iter:   6  09:59:18  -4.18  -3.49  -414.214311    3      1      
iter:   7  10:01:31  -4.37  -3.68  -414.213070    3      1      
iter:   8  10:03:43  -4.80  -3.95  -414.213038    2      1      
iter:   9  10:05:53  -5.13  -3.99  -414.212356    2      1      
iter:  10  10:08:03  -5.62  -4.02  -414.213974    2      1      
iter:  11  10:10:14  -5.72  -3.98  -414.212382    2      1      
iter:  12  10:12:27  -5.89  -4.01  -414.212911    2      1      
iter:  13  10:14:38  -6.21  -4.28  -414.213074    2      1      
iter:  14  10:16:49  -6.40  -4.35  -414.213084    2      1      
iter:  15  10:18:58  -6.52  -4.53  -414.213018    2      1      
iter:  16  10:20:56  -6.74  -4.60  -414.212774    2      1      
iter:  17  10:22:53  -7.41  -4.74  -414.213025    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961848, -32.750741, 0.178241) |e|*Ang

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

Kinetic:        +18.568635
Potential:     -136.996742
External:        +0.000000
XC:            -305.528828
Entropy (-ST):   -1.557341
Local:          +10.522581
--------------------------
Free energy:   -414.991696
Extrapolated:  -414.213025

Fermi level: -6.38580

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46315    0.15206
  0   340     -6.44105    0.14104
  0   341     -6.43945    0.14022
  0   342     -6.40914    0.12402

  1   339     -6.36212    0.19603
  1   340     -6.31249    0.14423
  1   341     -6.27519    0.11049
  1   342     -6.26794    0.10458



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17426
  1 Pt   -0.00000    0.00146   -0.37771
  2 Pt    0.00000   -0.01909   -0.43588
  3 O    -1.68395    0.00004   -0.71869
  4 O     1.68395    0.00004   -0.71869
  5 O     0.00000   -0.01101   -1.39556
  6 O     0.00000   -0.00270    1.76642
  7 Pt   -0.00000    0.01423    0.45018
  8 Pt    0.00000   -0.04179    0.77125
  9 O    -1.58106    0.00062    0.05083
 10 O     1.58106    0.00062    0.05083
 11 O     0.00000   -0.00881   -0.56339
 12 O    -0.00000    0.00644    0.09863
 13 Pt   -0.00000    0.16174   -0.02641
 14 Pt    0.00000   -0.02025    0.00355
 15 O     0.00077    0.01021    0.00475
 16 O    -0.00077    0.01021    0.00475
 17 O     0.00000   -0.02907   -0.57814
 18 O    -0.00000    0.00141    0.02252
 19 Pt    0.00000   -0.03682    0.04453
 20 Pt   -0.00000    0.03544    0.07686
 21 O    -0.16511    0.28206    0.17518
 22 O     0.16511    0.28206    0.17518
 23 O     0.00000   -0.01695   -0.05009
 24 O     0.00000   -0.00036    1.15088
 25 Pt   -0.00000    0.01304   -0.38058
 26 Pt    0.00000   -0.00019   -0.43488
 27 O    -1.69244    0.01358   -0.71803
 28 O     1.69244    0.01358   -0.71803
 29 O    -0.00000    0.05135   -1.38807
 30 O     0.00000   -0.00472    1.82971
 31 Pt   -0.00000    0.01878    0.51004
 32 Pt    0.00000   -0.15985    0.56514
 33 O    -1.61389   -0.01900    0.07010
 34 O     1.61389   -0.01900    0.07010
 35 O     0.00000   -0.03260   -0.52262
 36 O    -0.00000    0.14853   -0.09289
 37 Pt    0.00000   -0.18190   -0.02987
 38 Pt    0.00000   -0.00439   -0.01021
 39 O     0.01110    0.01220    0.01693
 40 O    -0.01110    0.01220    0.01693
 41 O     0.00000    0.00393   -0.01712
 42 O    -0.00000    0.02374   -0.01158
 43 Pt   -0.00000    0.00315    0.01184
 44 Pt    0.00000   -0.04305   -0.00102
 45 O    -0.12833   -0.24759    0.10829
 46 O     0.12833   -0.24759    0.10829
 47 O     0.00000   -0.02288   -0.03073
 48 O    -0.00000    0.02191    1.17284
 49 Pt    0.00000   -0.02277   -0.38057
 50 Pt   -0.00000    0.02120   -0.43665
 51 O    -1.69143   -0.01392   -0.71860
 52 O     1.69143   -0.01392   -0.71860
 53 O     0.00000   -0.01697   -1.40406
 54 O     0.00000   -0.00181    1.77253
 55 Pt    0.00000   -0.01212    0.51472
 56 Pt   -0.00000    0.14156    0.64088
 57 O    -1.61290    0.01381    0.09433
 58 O     1.61290    0.01381    0.09433
 59 O     0.00000   -0.02113   -0.51416
 60 O     0.00000   -0.14029   -0.09188
 61 Pt   -0.00000    0.00894   -0.05550
 62 Pt   -0.00000    0.01763   -0.00549
 63 O    -0.00944   -0.00784    0.00338
 64 O     0.00944   -0.00784    0.00338
 65 O     0.00000   -0.00382    0.00062
 66 O     0.00000   -0.00220    0.00116
 67 Pt   -0.00000    0.00930    0.01165
 68 Pt   -0.00000    0.13382   -0.01685
 69 O    -0.00852   -0.00378   -0.01721
 70 O     0.00852   -0.00378   -0.01721
 71 O    -0.00000    0.00682   -0.03133
 72 N     0.00000   -0.29842   -0.21258
 73 N    -0.00000    0.23010    0.31077

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.778591   24.425152    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.008767   23.624044    ( 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  10:27:30  -2.35   +inf  -414.235853    3      1      
iter:   2  10:29:40  -2.95  -2.85  -414.695681    4      1      
iter:   3  10:31:52  -3.34  -2.28  -414.264915    3      1      
iter:   4  10:34:02  -3.72  -2.85  -414.224331    3      1      
iter:   5  10:36:12  -3.99  -3.20  -414.216503    3      1      
iter:   6  10:38:22  -4.18  -3.61  -414.216480    3      1      
iter:   7  10:40:34  -4.28  -3.53  -414.214666    3      1      
iter:   8  10:42:44  -4.60  -3.83  -414.214214    3      1      
iter:   9  10:44:54  -5.09  -3.96  -414.214993    3      1      
iter:  10  10:47:04  -5.44  -3.97  -414.213336    3      1      
iter:  11  10:49:16  -5.73  -4.00  -414.214278    2      1      
iter:  12  10:51:26  -5.93  -3.99  -414.214004    2      1      
iter:  13  10:53:36  -6.19  -4.33  -414.214277    2      1      
iter:  14  10:55:47  -6.24  -4.20  -414.214417    2      1      
iter:  15  10:57:47  -6.46  -4.36  -414.214006    2      1      
iter:  16  10:59:44  -6.85  -4.32  -414.214316    2      1      
iter:  17  11:01:42  -6.94  -4.70  -414.214065    2      1      
iter:  18  11:03:40  -7.44  -4.56  -414.214227    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961984, -32.733782, 0.163192) |e|*Ang

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

Kinetic:        +17.999722
Potential:     -136.580139
External:        +0.000000
XC:            -305.373962
Entropy (-ST):   -1.558784
Local:          +10.519544
--------------------------
Free energy:   -414.993619
Extrapolated:  -414.214227

Fermi level: -6.39742

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.47323    0.15132
  0   340     -6.45296    0.14120
  0   341     -6.45147    0.14043
  0   342     -6.42074    0.12401

  1   339     -6.37386    0.19617
  1   340     -6.32428    0.14439
  1   341     -6.28702    0.11066
  1   342     -6.27903    0.10416



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17385
  1 Pt   -0.00000    0.00092   -0.37632
  2 Pt    0.00000   -0.01908   -0.43468
  3 O    -1.68158    0.00009   -0.71902
  4 O     1.68158    0.00009   -0.71902
  5 O     0.00000   -0.01112   -1.39516
  6 O     0.00000   -0.00274    1.77532
  7 Pt   -0.00000    0.01431    0.45300
  8 Pt    0.00000   -0.04152    0.77095
  9 O    -1.58115    0.00059    0.05088
 10 O     1.58115    0.00059    0.05088
 11 O     0.00000   -0.00883   -0.56327
 12 O    -0.00000    0.00719    0.10317
 13 Pt   -0.00000    0.17539   -0.02638
 14 Pt    0.00000   -0.02032    0.00479
 15 O    -0.00003    0.01044    0.00456
 16 O     0.00003    0.01044    0.00456
 17 O     0.00000   -0.01551   -0.62821
 18 O    -0.00000    0.00130    0.02227
 19 Pt    0.00000   -0.03566    0.05182
 20 Pt   -0.00000    0.00587    0.09566
 21 O    -0.17113    0.29417    0.17778
 22 O     0.17113    0.29417    0.17778
 23 O     0.00000   -0.01630   -0.05446
 24 O     0.00000   -0.00046    1.15033
 25 Pt   -0.00000    0.01359   -0.37923
 26 Pt    0.00000   -0.00022   -0.43379
 27 O    -1.69010    0.01353   -0.71837
 28 O     1.69010    0.01353   -0.71837
 29 O    -0.00000    0.05064   -1.38872
 30 O     0.00000   -0.00454    1.83893
 31 Pt   -0.00000    0.01874    0.51290
 32 Pt    0.00000   -0.15738    0.56887
 33 O    -1.61395   -0.01903    0.07011
 34 O     1.61395   -0.01903    0.07011
 35 O     0.00000   -0.03256   -0.52236
 36 O    -0.00000    0.15683   -0.09606
 37 Pt    0.00000   -0.19880   -0.03045
 38 Pt    0.00000   -0.00445   -0.00977
 39 O     0.01018    0.01201    0.01688
 40 O    -0.01018    0.01201    0.01688
 41 O     0.00000    0.00416   -0.00953
 42 O    -0.00000    0.02459   -0.01277
 43 Pt   -0.00000    0.00192    0.02301
 44 Pt    0.00000   -0.05242    0.00684
 45 O    -0.14113   -0.26660    0.12589
 46 O     0.14113   -0.26660    0.12589
 47 O     0.00000   -0.02297   -0.03290
 48 O    -0.00000    0.02195    1.17230
 49 Pt    0.00000   -0.02274   -0.37899
 50 Pt   -0.00000    0.02121   -0.43550
 51 O    -1.68911   -0.01394   -0.71888
 52 O     1.68911   -0.01394   -0.71888
 53 O     0.00000   -0.01634   -1.40492
 54 O     0.00000   -0.00194    1.78175
 55 Pt    0.00000   -0.01213    0.51767
 56 Pt   -0.00000    0.13917    0.64476
 57 O    -1.61311    0.01380    0.09387
 58 O     1.61311    0.01380    0.09387
 59 O     0.00000   -0.02117   -0.51405
 60 O     0.00000   -0.14895   -0.09524
 61 Pt   -0.00000    0.00929   -0.05879
 62 Pt   -0.00000    0.01777   -0.00481
 63 O    -0.01074   -0.00788    0.00328
 64 O     0.01074   -0.00788    0.00328
 65 O     0.00000   -0.00407    0.00644
 66 O     0.00000   -0.00315   -0.00010
 67 Pt   -0.00000    0.00902    0.01326
 68 Pt   -0.00000    0.13862   -0.01304
 69 O    -0.00956   -0.00374   -0.01846
 70 O     0.00956   -0.00374   -0.01846
 71 O    -0.00000    0.00678   -0.03321
 72 N     0.00000   -0.56111   -0.46173
 73 N    -0.00000    0.48519    0.55156

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.792636   24.433394    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.991252   23.660006    ( 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  11:08:16  -2.39   +inf  -414.487011    3      1      
iter:   2  11:10:26  -2.39  -2.38  -421.335886    3      1      
iter:   3  11:12:38  -2.84  -1.73  -414.362182    4      1      
iter:   4  11:14:47  -3.20  -2.53  -414.229096    3      1      
iter:   5  11:16:58  -3.71  -3.27  -414.219170    3      1      
iter:   6  11:19:08  -4.00  -3.37  -414.215413    3      1      
iter:   7  11:21:20  -4.42  -3.65  -414.215824    3      1      
iter:   8  11:23:29  -4.53  -3.69  -414.214552    3      1      
iter:   9  11:25:40  -4.56  -3.81  -414.214427    3      1      
iter:  10  11:27:50  -5.43  -3.51  -414.214618    2      1      
iter:  11  11:30:01  -5.57  -3.82  -414.213377    2      1      
iter:  12  11:32:10  -5.74  -4.15  -414.214018    2      1      
iter:  13  11:34:20  -5.93  -4.05  -414.213460    2      1      
iter:  14  11:36:33  -6.27  -4.20  -414.213870    2      1      
iter:  15  11:38:43  -6.13  -4.48  -414.214169    2      1      
iter:  16  11:40:41  -6.17  -4.08  -414.213669    2      1      
iter:  17  11:42:38  -6.30  -3.94  -414.213864    2      1      
iter:  18  11:44:36  -7.07  -4.76  -414.213696    2      1      
iter:  19  11:46:33  -7.56  -4.88  -414.213856    2      1      

Converged after 19 iterations.

Dipole moment: (-55.962049, -32.716725, 0.150249) |e|*Ang

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

Kinetic:        +17.499338
Potential:     -136.218442
External:        +0.000000
XC:            -305.229892
Entropy (-ST):   -1.559938
Local:          +10.515109
--------------------------
Free energy:   -414.993825
Extrapolated:  -414.213856

Fermi level: -6.40905

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.48451    0.15115
  0   340     -6.46409    0.14094
  0   341     -6.46261    0.14018
  0   342     -6.43271    0.12419

  1   339     -6.38499    0.19562
  1   340     -6.33556    0.14405
  1   341     -6.29875    0.11075
  1   342     -6.29026    0.10384



Forces in eV/Ang:
  0 O     0.00000   -0.01752    1.17431
  1 Pt   -0.00000    0.00038   -0.37659
  2 Pt    0.00000   -0.01907   -0.43498
  3 O    -1.68409    0.00009   -0.71874
  4 O     1.68409    0.00009   -0.71874
  5 O     0.00000   -0.01118   -1.39309
  6 O     0.00000   -0.00274    1.76759
  7 Pt   -0.00000    0.01426    0.45110
  8 Pt    0.00000   -0.04130    0.76725
  9 O    -1.58107    0.00049    0.05159
 10 O     1.58107    0.00049    0.05159
 11 O     0.00000   -0.00881   -0.56355
 12 O    -0.00000    0.00775    0.10893
 13 Pt   -0.00000    0.18915   -0.02769
 14 Pt    0.00000   -0.02050    0.00516
 15 O     0.00086    0.01039    0.00511
 16 O    -0.00086    0.01039    0.00511
 17 O     0.00000   -0.00478   -0.68703
 18 O    -0.00000    0.00106    0.02402
 19 Pt    0.00000   -0.03480    0.05704
 20 Pt    0.00000   -0.02047    0.10125
 21 O    -0.17565    0.30393    0.18030
 22 O     0.17565    0.30393    0.18030
 23 O     0.00000   -0.01680   -0.06096
 24 O     0.00000   -0.00053    1.15074
 25 Pt   -0.00000    0.01411   -0.37945
 26 Pt    0.00000   -0.00022   -0.43428
 27 O    -1.69261    0.01353   -0.71808
 28 O     1.69261    0.01353   -0.71808
 29 O    -0.00000    0.04992   -1.38791
 30 O     0.00000   -0.00461    1.83144
 31 Pt   -0.00000    0.01881    0.51098
 32 Pt    0.00000   -0.15515    0.56871
 33 O    -1.61386   -0.01897    0.07074
 34 O     1.61386   -0.01897    0.07074
 35 O     0.00000   -0.03259   -0.52252
 36 O    -0.00000    0.16549   -0.09851
 37 Pt    0.00000   -0.21511   -0.03213
 38 Pt    0.00000   -0.00430   -0.01023
 39 O     0.01110    0.01207    0.01734
 40 O    -0.01110    0.01207    0.01734
 41 O     0.00000    0.00353   -0.01497
 42 O    -0.00000    0.02541   -0.01179
 43 Pt   -0.00000    0.00154    0.02880
 44 Pt    0.00000   -0.05877    0.00627
 45 O    -0.14967   -0.28145    0.13863
 46 O     0.14967   -0.28145    0.13863
 47 O     0.00000   -0.02216   -0.03695
 48 O    -0.00000    0.02200    1.17271
 49 Pt    0.00000   -0.02270   -0.37911
 50 Pt   -0.00000    0.02121   -0.43596
 51 O    -1.69167   -0.01394   -0.71855
 52 O     1.69167   -0.01394   -0.71855
 53 O     0.00000   -0.01570   -1.40433
 54 O     0.00000   -0.00188    1.77426
 55 Pt    0.00000   -0.01212    0.51593
 56 Pt   -0.00000    0.13700    0.64477
 57 O    -1.61318    0.01379    0.09405
 58 O     1.61318    0.01379    0.09405
 59 O     0.00000   -0.02115   -0.51411
 60 O     0.00000   -0.15790   -0.09792
 61 Pt   -0.00000    0.00952   -0.06378
 62 Pt   -0.00000    0.01783   -0.00518
 63 O    -0.01077   -0.00788    0.00382
 64 O     0.01077   -0.00788    0.00382
 65 O     0.00000   -0.00359   -0.00034
 66 O     0.00000   -0.00389    0.00086
 67 Pt   -0.00000    0.00847    0.01378
 68 Pt   -0.00000    0.14341   -0.01181
 69 O    -0.00856   -0.00378   -0.01918
 70 O     0.00856   -0.00378   -0.01918
 71 O    -0.00000    0.00674   -0.03568
 72 N     0.00000   -0.90808   -0.72695
 73 N    -0.00000    0.78311    0.75791

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.804870   24.442618    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.975172   23.696631    ( 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  11:51:09  -2.43   +inf  -414.215167    3      1      
iter:   2  11:53:20  -3.12  -3.01  -414.337425    4      1      
iter:   3  11:55:32  -3.52  -2.60  -414.249665    3      1      
iter:   4  11:57:43  -3.90  -2.87  -414.217172    3      1      
iter:   5  11:59:53  -4.09  -3.31  -414.212078    3      1      
iter:   6  12:02:04  -4.23  -3.78  -414.213372    3      1      
iter:   7  12:04:15  -4.48  -3.55  -414.211375    3      1      
iter:   8  12:06:25  -4.88  -3.97  -414.211033    2      1      
iter:   9  12:08:35  -5.16  -4.12  -414.212002    3      1      
iter:  10  12:10:47  -5.48  -3.87  -414.210121    3      1      
iter:  11  12:13:00  -5.86  -4.05  -414.210928    3      1      
iter:  12  12:15:11  -6.32  -4.44  -414.210794    2      1      
iter:  13  12:17:21  -6.37  -4.33  -414.211202    2      1      
iter:  14  12:19:32  -6.42  -4.17  -414.211139    2      1      
iter:  15  12:21:31  -6.64  -4.44  -414.210982    2      1      
iter:  16  12:23:29  -7.12  -4.39  -414.211151    2      1      
iter:  17  12:25:29  -7.17  -4.75  -414.210911    2      1      
iter:  18  12:27:26  -7.94  -5.04  -414.210969    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962144, -32.700965, 0.136921) |e|*Ang

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

Kinetic:        +17.073969
Potential:     -135.915649
External:        +0.000000
XC:            -305.104091
Entropy (-ST):   -1.561096
Local:          +10.515350
--------------------------
Free energy:   -414.991517
Extrapolated:  -414.210969

Fermi level: -6.41971

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.49403    0.15060
  0   340     -6.47481    0.14098
  0   341     -6.47341    0.14025
  0   342     -6.44342    0.12422

  1   339     -6.39563    0.19560
  1   340     -6.34625    0.14409
  1   341     -6.30954    0.11086
  1   342     -6.30048    0.10350



Forces in eV/Ang:
  0 O     0.00000   -0.01748    1.17408
  1 Pt    0.00000   -0.00009   -0.37615
  2 Pt    0.00000   -0.01907   -0.43465
  3 O    -1.68269    0.00013   -0.71888
  4 O     1.68269    0.00013   -0.71888
  5 O     0.00000   -0.01120   -1.39265
  6 O     0.00000   -0.00270    1.77068
  7 Pt   -0.00000    0.01421    0.45131
  8 Pt    0.00000   -0.04112    0.76602
  9 O    -1.58114    0.00041    0.05082
 10 O     1.58114    0.00041    0.05082
 11 O     0.00000   -0.00881   -0.56480
 12 O    -0.00000    0.00821    0.11218
 13 Pt   -0.00000    0.20160   -0.03005
 14 Pt    0.00000   -0.02066    0.00532
 15 O     0.00047    0.01048    0.00396
 16 O    -0.00047    0.01048    0.00396
 17 O    -0.00000    0.00344   -0.73723
 18 O    -0.00000    0.00070    0.02377
 19 Pt    0.00000   -0.03356    0.06485
 20 Pt    0.00000   -0.04100    0.10884
 21 O    -0.18043    0.31498    0.18359
 22 O     0.18043    0.31498    0.18359
 23 O     0.00000   -0.01631   -0.06405
 24 O     0.00000   -0.00061    1.15042
 25 Pt   -0.00000    0.01459   -0.37898
 26 Pt    0.00000   -0.00025   -0.43400
 27 O    -1.69123    0.01348   -0.71821
 28 O     1.69123    0.01348   -0.71821
 29 O    -0.00000    0.04925   -1.38854
 30 O     0.00000   -0.00459    1.83499
 31 Pt   -0.00000    0.01886    0.51118
 32 Pt    0.00000   -0.15302    0.57077
 33 O    -1.61393   -0.01893    0.06995
 34 O     1.61393   -0.01893    0.06995
 35 O     0.00000   -0.03258   -0.52374
 36 O    -0.00000    0.17309   -0.10225
 37 Pt    0.00000   -0.22952   -0.03494
 38 Pt    0.00000   -0.00421   -0.01079
 39 O     0.01078    0.01201    0.01618
 40 O    -0.01078    0.01201    0.01618
 41 O     0.00000    0.00348   -0.01135
 42 O    -0.00000    0.02655   -0.01293
 43 Pt   -0.00000    0.00077    0.03886
 44 Pt    0.00000   -0.06540    0.01424
 45 O    -0.15931   -0.29742    0.15319
 46 O     0.15931   -0.29742    0.15319
 47 O     0.00000   -0.02257   -0.03814
 48 O    -0.00000    0.02204    1.17239
 49 Pt    0.00000   -0.02268   -0.37852
 50 Pt   -0.00000    0.02124   -0.43568
 51 O    -1.69030   -0.01394   -0.71870
 52 O     1.69030   -0.01394   -0.71870
 53 O     0.00000   -0.01510   -1.40511
 54 O     0.00000   -0.00194    1.77785
 55 Pt    0.00000   -0.01211    0.51626
 56 Pt   -0.00000    0.13491    0.64687
 57 O    -1.61342    0.01379    0.09286
 58 O     1.61342    0.01379    0.09286
 59 O     0.00000   -0.02118   -0.51534
 60 O     0.00000   -0.16558   -0.10167
 61 Pt   -0.00000    0.00971   -0.06869
 62 Pt   -0.00000    0.01791   -0.00562
 63 O    -0.01169   -0.00790    0.00282
 64 O     0.01169   -0.00790    0.00282
 65 O     0.00000   -0.00341    0.00180
 66 O     0.00000   -0.00478   -0.00056
 67 Pt   -0.00000    0.00792    0.01600
 68 Pt   -0.00000    0.14754   -0.00547
 69 O    -0.00869   -0.00391   -0.02052
 70 O     0.00869   -0.00391   -0.02052
 71 O    -0.00000    0.00704   -0.03636
 72 N     0.00000   -1.04164   -0.77786
 73 N    -0.00000    1.04876    0.92979

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             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    2.816184   24.452816    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.960421   23.733812    ( 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  12:32:04  -2.45   +inf  -414.265450    3      1      
iter:   2  12:34:17  -2.86  -2.69  -416.004533    3      1      
iter:   3  12:36:29  -3.28  -1.99  -414.233979    3      1      
iter:   4  12:38:39  -3.74  -3.02  -414.213474    3      1      
iter:   5  12:40:51  -3.98  -3.45  -414.215941    3      1      
iter:   6  12:43:01  -4.25  -3.41  -414.210121    3      1      
iter:   7  12:45:13  -4.47  -3.82  -414.210062    3      1      
iter:   8  12:47:24  -4.86  -3.88  -414.210033    2      1      
iter:   9  12:49:34  -5.25  -4.11  -414.210787    2      1      
iter:  10  12:51:44  -5.60  -3.81  -414.209651    2      1      
iter:  11  12:53:56  -5.74  -3.85  -414.209941    3      1      
iter:  12  12:56:06  -5.89  -4.11  -414.209292    2      1      
iter:  13  12:58:16  -6.32  -4.19  -414.209993    2      1      
iter:  14  13:00:25  -6.44  -4.38  -414.209933    2      1      
iter:  15  13:02:35  -6.48  -4.58  -414.209718    2      1      
iter:  16  13:04:33  -6.68  -4.16  -414.210052    2      1      
iter:  17  13:06:30  -6.91  -4.46  -414.209896    2      1      
iter:  18  13:08:28  -7.30  -5.05  -414.209948    2      1      
iter:  19  13:10:27  -7.68  -4.88  -414.209813    2      1      

Converged after 19 iterations.

Dipole moment: (-55.962237, -32.685489, 0.124555) |e|*Ang

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

Kinetic:        +16.693411
Potential:     -135.649873
External:        +0.000000
XC:            -304.986969
Entropy (-ST):   -1.562214
Local:          +10.514726
--------------------------
Free energy:   -414.990920
Extrapolated:  -414.209813

Fermi level: -6.43010

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50378    0.15029
  0   340     -6.48499    0.14086
  0   341     -6.48363    0.14016
  0   342     -6.45405    0.12435

  1   339     -6.40588    0.19544
  1   340     -6.35648    0.14392
  1   341     -6.32005    0.11096
  1   342     -6.31057    0.10325



Forces in eV/Ang:
  0 O     0.00000   -0.01748    1.17414
  1 Pt    0.00000   -0.00049   -0.37553
  2 Pt    0.00000   -0.01909   -0.43450
  3 O    -1.68269    0.00012   -0.71846
  4 O     1.68269    0.00012   -0.71846
  5 O     0.00000   -0.01123   -1.39138
  6 O     0.00000   -0.00267    1.76927
  7 Pt   -0.00000    0.01417    0.45137
  8 Pt    0.00000   -0.04098    0.76444
  9 O    -1.58145    0.00036    0.05140
 10 O     1.58145    0.00036    0.05140
 11 O     0.00000   -0.00881   -0.56529
 12 O    -0.00000    0.00841    0.11646
 13 Pt   -0.00000    0.21380   -0.03149
 14 Pt    0.00000   -0.02084    0.00515
 15 O     0.00042    0.01044    0.00413
 16 O    -0.00042    0.01044    0.00413
 17 O    -0.00000    0.00956   -0.78697
 18 O     0.00000    0.00049    0.02445
 19 Pt    0.00000   -0.03258    0.07131
 20 Pt    0.00000   -0.05686    0.11251
 21 O    -0.18454    0.32441    0.18672
 22 O     0.18454    0.32441    0.18672
 23 O     0.00000   -0.01603   -0.06834
 24 O     0.00000   -0.00064    1.15042
 25 Pt   -0.00000    0.01501   -0.37832
 26 Pt    0.00000   -0.00021   -0.43407
 27 O    -1.69121    0.01350   -0.71781
 28 O     1.69121    0.01350   -0.71781
 29 O    -0.00000    0.04862   -1.38825
 30 O     0.00000   -0.00471    1.83363
 31 Pt   -0.00000    0.01889    0.51120
 32 Pt    0.00000   -0.15120    0.57224
 33 O    -1.61427   -0.01888    0.07046
 34 O     1.61427   -0.01888    0.07046
 35 O     0.00000   -0.03260   -0.52402
 36 O    -0.00000    0.18049   -0.10473
 37 Pt    0.00000   -0.24324   -0.03664
 38 Pt    0.00000   -0.00387   -0.01146
 39 O     0.01086    0.01201    0.01637
 40 O    -0.01086    0.01201    0.01637
 41 O     0.00000    0.00335   -0.01322
 42 O    -0.00000    0.02757   -0.01296
 43 Pt    0.00000    0.00036    0.04659
 44 Pt    0.00000   -0.07089    0.01741
 45 O    -0.16713   -0.31094    0.16525
 46 O     0.16713   -0.31094    0.16525
 47 O     0.00000   -0.02253   -0.04089
 48 O    -0.00000    0.02208    1.17239
 49 Pt    0.00000   -0.02268   -0.37785
 50 Pt   -0.00000    0.02121   -0.43578
 51 O    -1.69036   -0.01394   -0.71822
 52 O     1.69036   -0.01394   -0.71822
 53 O     0.00000   -0.01453   -1.40491
 54 O     0.00000   -0.00186    1.77641
 55 Pt    0.00000   -0.01209    0.51646
 56 Pt   -0.00000    0.13312    0.64838
 57 O    -1.61386    0.01377    0.09307
 58 O     1.61386    0.01377    0.09307
 59 O     0.00000   -0.02115   -0.51541
 60 O     0.00000   -0.17286   -0.10411
 61 Pt   -0.00000    0.00980   -0.07315
 62 Pt   -0.00000    0.01779   -0.00638
 63 O    -0.01243   -0.00788    0.00312
 64 O     0.01243   -0.00788    0.00312
 65 O     0.00000   -0.00312   -0.00148
 66 O     0.00000   -0.00570   -0.00078
 67 Pt   -0.00000    0.00736    0.01682
 68 Pt   -0.00000    0.15137   -0.00246
 69 O    -0.00795   -0.00405   -0.02129
 70 O     0.00795   -0.00405   -0.02129
 71 O    -0.00000    0.00701   -0.03819
 72 N     0.00000   -1.22106   -0.89182
 73 N    -0.00000    1.22090    1.02532

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             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    2.825218   24.464352    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.947998   23.771834    ( 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  13:15:05  -2.48   +inf  -414.213244    2      1      
iter:   2  13:17:16  -3.24  -3.37  -414.278657    2      1      
iter:   3  13:19:27  -3.70  -2.68  -414.212335    2      1      
iter:   4  13:21:38  -4.02  -3.60  -414.214072    3      1      
iter:   5  13:23:49  -4.12  -3.65  -414.209243    3      1      
iter:   6  13:26:00  -4.35  -3.61  -414.211443    3      1      
iter:   7  13:28:12  -4.89  -3.88  -414.211150    2      1      
iter:   8  13:30:23  -5.23  -4.03  -414.211046    2      1      
iter:   9  13:32:32  -5.43  -3.77  -414.211081    2      1      
iter:  10  13:34:42  -5.51  -3.97  -414.210572    2      1      
iter:  11  13:36:53  -6.06  -4.40  -414.211116    2      1      
iter:  12  13:39:06  -6.54  -4.41  -414.210697    2      1      
iter:  13  13:41:19  -6.60  -4.56  -414.210899    2      1      
iter:  14  13:43:32  -6.47  -4.61  -414.211030    2      1      
iter:  15  13:45:41  -7.07  -4.40  -414.210902    2      1      
iter:  16  13:47:52  -7.22  -4.70  -414.210959    2      1      
iter:  17  13:50:02  -7.52  -4.97  -414.210858    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962341, -32.671209, 0.112372) |e|*Ang

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

Kinetic:        +16.629371
Potential:     -135.632759
External:        +0.000000
XC:            -304.939667
Entropy (-ST):   -1.562865
Local:          +10.513630
--------------------------
Free energy:   -414.992290
Extrapolated:  -414.210858

Fermi level: -6.44011

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51278    0.14979
  0   340     -6.49506    0.14089
  0   341     -6.49378    0.14023
  0   342     -6.46407    0.12436

  1   339     -6.41572    0.19525
  1   340     -6.36655    0.14398
  1   341     -6.33012    0.11100
  1   342     -6.32019    0.10294



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17394
  1 Pt    0.00000   -0.00080   -0.37557
  2 Pt    0.00000   -0.01903   -0.43437
  3 O    -1.68236    0.00024   -0.71859
  4 O     1.68236    0.00024   -0.71859
  5 O     0.00000   -0.01125   -1.39099
  6 O     0.00000   -0.00273    1.77113
  7 Pt   -0.00000    0.01411    0.45208
  8 Pt    0.00000   -0.04103    0.76361
  9 O    -1.58110    0.00029    0.05154
 10 O     1.58110    0.00029    0.05154
 11 O     0.00000   -0.00883   -0.56518
 12 O    -0.00000    0.00865    0.11946
 13 Pt   -0.00000    0.22455   -0.03147
 14 Pt    0.00000   -0.02074    0.00653
 15 O     0.00035    0.01070    0.00398
 16 O    -0.00035    0.01070    0.00398
 17 O    -0.00000    0.01382   -0.82846
 18 O     0.00000    0.00041    0.02433
 19 Pt    0.00000   -0.03104    0.07899
 20 Pt    0.00000   -0.06900    0.11673
 21 O    -0.18852    0.33284    0.18982
 22 O     0.18852    0.33284    0.18982
 23 O     0.00000   -0.01638   -0.07150
 24 O     0.00000   -0.00075    1.15016
 25 Pt   -0.00000    0.01534   -0.37839
 26 Pt    0.00000   -0.00032   -0.43387
 27 O    -1.69092    0.01341   -0.71794
 28 O     1.69092    0.01341   -0.71794
 29 O    -0.00000    0.04817   -1.38856
 30 O     0.00000   -0.00438    1.83617
 31 Pt   -0.00000    0.01895    0.51194
 32 Pt    0.00000   -0.14914    0.57394
 33 O    -1.61384   -0.01886    0.07059
 34 O     1.61384   -0.01886    0.07059
 35 O     0.00000   -0.03247   -0.52405
 36 O    -0.00000    0.18677   -0.10735
 37 Pt    0.00000   -0.25526   -0.03684
 38 Pt    0.00000   -0.00435   -0.01106
 39 O     0.01080    0.01178    0.01629
 40 O    -0.01080    0.01178    0.01629
 41 O     0.00000    0.00320   -0.00790
 42 O    -0.00000    0.02826   -0.01399
 43 Pt    0.00000   -0.00075    0.05433
 44 Pt    0.00000   -0.07461    0.01983
 45 O    -0.17394   -0.32303    0.17480
 46 O     0.17394   -0.32303    0.17480
 47 O     0.00000   -0.02251   -0.04275
 48 O    -0.00000    0.02215    1.17214
 49 Pt    0.00000   -0.02268   -0.37766
 50 Pt   -0.00000    0.02127   -0.43549
 51 O    -1.69000   -0.01397   -0.71829
 52 O     1.69000   -0.01397   -0.71829
 53 O     0.00000   -0.01410   -1.40515
 54 O     0.00000   -0.00212    1.77926
 55 Pt    0.00000   -0.01208    0.51711
 56 Pt   -0.00000    0.13124    0.64991
 57 O    -1.61363    0.01382    0.09280
 58 O     1.61363    0.01382    0.09280
 59 O     0.00000   -0.02129   -0.51552
 60 O     0.00000   -0.17902   -0.10658
 61 Pt   -0.00000    0.00999   -0.07533
 62 Pt   -0.00000    0.01820   -0.00591
 63 O    -0.01255   -0.00794    0.00282
 64 O     0.01255   -0.00794    0.00282
 65 O     0.00000   -0.00278    0.00301
 66 O     0.00000   -0.00636   -0.00190
 67 Pt   -0.00000    0.00704    0.01925
 68 Pt   -0.00000    0.15412    0.00159
 69 O    -0.00914   -0.00397   -0.02204
 70 O     0.00914   -0.00397   -0.02204
 71 O    -0.00000    0.00760   -0.03913
 72 N     0.00000   -1.25856   -0.87125
 73 N    -0.00000    1.27886    1.01072

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             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    2.831022   24.478230    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.939046   23.810819    ( 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  13:54:40  -2.49   +inf  -414.228345    3      1      
iter:   2  13:56:54  -3.29  -3.20  -414.257663    3      1      
iter:   3  13:59:06  -3.74  -2.78  -414.222589    3      1      
iter:   4  14:01:16  -4.14  -3.11  -414.221740    3      1      
iter:   5  14:03:28  -4.20  -3.56  -414.218108    3      1      
iter:   6  14:05:41  -4.37  -3.54  -414.218199    3      1      
iter:   7  14:07:52  -4.83  -3.66  -414.218140    2      1      
iter:   8  14:10:02  -5.25  -4.20  -414.219081    2      1      
iter:   9  14:12:12  -5.43  -3.91  -414.217644    3      1      
iter:  10  14:14:23  -5.61  -4.36  -414.218324    2      1      
iter:  11  14:16:33  -6.26  -4.22  -414.218004    2      1      
iter:  12  14:18:43  -6.58  -4.65  -414.218021    2      1      
iter:  13  14:20:55  -6.67  -4.77  -414.217978    2      1      
iter:  14  14:23:04  -6.73  -4.31  -414.217780    2      1      
iter:  15  14:25:14  -7.05  -4.62  -414.218030    2      1      
iter:  16  14:27:11  -7.70  -4.75  -414.217910    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962510, -32.658252, 0.101575) |e|*Ang

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

Kinetic:        +17.020559
Potential:     -135.966517
External:        +0.000000
XC:            -305.002297
Entropy (-ST):   -1.563565
Local:          +10.512128
--------------------------
Free energy:   -414.999693
Extrapolated:  -414.217910

Fermi level: -6.44990

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52236    0.14970
  0   340     -6.50443    0.14068
  0   341     -6.50316    0.14002
  0   342     -6.47419    0.12454

  1   339     -6.42522    0.19495
  1   340     -6.37604    0.14370
  1   341     -6.33993    0.11103
  1   342     -6.33137    0.10405



Forces in eV/Ang:
  0 O     0.00000   -0.01748    1.17350
  1 Pt    0.00000   -0.00110   -0.37647
  2 Pt    0.00000   -0.01907   -0.43573
  3 O    -1.68374    0.00015   -0.71890
  4 O     1.68374    0.00015   -0.71890
  5 O     0.00000   -0.01127   -1.38969
  6 O     0.00000   -0.00279    1.76589
  7 Pt   -0.00000    0.01429    0.44982
  8 Pt    0.00000   -0.04101    0.76074
  9 O    -1.58143    0.00052    0.05099
 10 O     1.58143    0.00052    0.05099
 11 O     0.00000   -0.00882   -0.56617
 12 O    -0.00000    0.00893    0.12113
 13 Pt   -0.00000    0.23373   -0.03432
 14 Pt    0.00000   -0.02067    0.00509
 15 O     0.00045    0.01072    0.00332
 16 O    -0.00045    0.01072    0.00332
 17 O    -0.00000    0.01634   -0.86557
 18 O     0.00000    0.00039    0.02502
 19 Pt    0.00000   -0.03034    0.08932
 20 Pt    0.00000   -0.07699    0.12452
 21 O    -0.19070    0.34097    0.19735
 22 O     0.19070    0.34097    0.19735
 23 O     0.00000   -0.01551   -0.06913
 24 O     0.00000   -0.00070    1.14964
 25 Pt   -0.00000    0.01565   -0.37930
 26 Pt    0.00000   -0.00018   -0.43555
 27 O    -1.69229    0.01346   -0.71825
 28 O     1.69229    0.01346   -0.71825
 29 O    -0.00000    0.04772   -1.38823
 30 O     0.00000   -0.00447    1.83038
 31 Pt   -0.00000    0.01883    0.50982
 32 Pt    0.00000   -0.14786    0.57388
 33 O    -1.61418   -0.01905    0.07008
 34 O     1.61418   -0.01905    0.07008
 35 O     0.00000   -0.03252   -0.52476
 36 O    -0.00000    0.19194   -0.11014
 37 Pt    0.00000   -0.26549   -0.04026
 38 Pt    0.00000   -0.00393   -0.01254
 39 O     0.01087    0.01174    0.01551
 40 O    -0.01087    0.01174    0.01551
 41 O     0.00000    0.00363   -0.01362
 42 O    -0.00000    0.02952   -0.01409
 43 Pt    0.00000   -0.00131    0.06660
 44 Pt    0.00000   -0.07776    0.03023
 45 O    -0.18007   -0.33468    0.18983
 46 O     0.18007   -0.33468    0.18983
 47 O     0.00000   -0.02347   -0.04031
 48 O    -0.00000    0.02213    1.17164
 49 Pt    0.00000   -0.02268   -0.37869
 50 Pt   -0.00000    0.02117   -0.43722
 51 O    -1.69151   -0.01394   -0.71859
 52 O     1.69151   -0.01394   -0.71859
 53 O     0.00000   -0.01367   -1.40473
 54 O     0.00000   -0.00199    1.77315
 55 Pt    0.00000   -0.01215    0.51504
 56 Pt   -0.00000    0.13003    0.64953
 57 O    -1.61393    0.01376    0.09210
 58 O     1.61393    0.01376    0.09210
 59 O     0.00000   -0.02123   -0.51637
 60 O     0.00000   -0.18410   -0.10869
 61 Pt   -0.00000    0.01026   -0.08029
 62 Pt   -0.00000    0.01774   -0.00693
 63 O    -0.01272   -0.00794    0.00246
 64 O     0.01272   -0.00794    0.00246
 65 O     0.00000   -0.00278   -0.00323
 66 O     0.00000   -0.00760   -0.00195
 67 Pt   -0.00000    0.00702    0.02298
 68 Pt   -0.00000    0.15565    0.01066
 69 O    -0.00774   -0.00398   -0.02008
 70 O     0.00774   -0.00398   -0.02008
 71 O    -0.00000    0.00800   -0.03683
 72 N     0.00000   -0.94117   -0.51992
 73 N    -0.00000    0.99118    0.71418

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             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    2.837477   24.492376    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.929524   23.849669    ( 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  14:34:28  -2.48   +inf  -414.283905    3      1      
iter:   2  14:36:38  -2.93  -2.71  -415.824389    3      1      
iter:   3  14:38:50  -3.30  -2.01  -414.225051    3      1      
iter:   4  14:41:03  -3.89  -3.31  -414.228849    3      1      
iter:   5  14:43:16  -4.33  -3.57  -414.223725    3      1      
iter:   6  14:45:27  -4.27  -3.65  -414.222060    3      1      
iter:   7  14:47:39  -4.68  -3.77  -414.223102    3      1      
iter:   8  14:49:49  -4.95  -4.02  -414.222949    3      1      
iter:   9  14:51:59  -5.37  -4.19  -414.223287    2      1      
iter:  10  14:54:10  -5.64  -3.61  -414.224284    3      1      
iter:  11  14:56:18  -5.71  -3.99  -414.222597    3      1      
iter:  12  14:58:28  -6.16  -4.31  -414.223067    2      1      
iter:  13  15:00:39  -6.29  -4.52  -414.223041    2      1      
iter:  14  15:02:51  -6.58  -4.75  -414.223039    2      1      
iter:  15  15:05:02  -6.84  -4.67  -414.223358    2      1      
iter:  16  15:07:14  -6.57  -3.91  -414.222851    2      1      
iter:  17  15:09:12  -7.26  -4.74  -414.223115    2      1      
iter:  18  15:11:09  -7.44  -4.76  -414.222928    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962534, -32.646502, 0.091746) |e|*Ang

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

Kinetic:        +17.326268
Potential:     -136.257080
External:        +0.000000
XC:            -305.019219
Entropy (-ST):   -1.564001
Local:          +10.509104
--------------------------
Free energy:   -415.004928
Extrapolated:  -414.222928

Fermi level: -6.45762

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52927    0.14929
  0   340     -6.51225    0.14072
  0   341     -6.51104    0.14010
  0   342     -6.48200    0.12459

  1   339     -6.43284    0.19482
  1   340     -6.38383    0.14376
  1   341     -6.34777    0.11112
  1   342     -6.34040    0.10509



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17409
  1 Pt    0.00000   -0.00138   -0.37538
  2 Pt    0.00000   -0.01906   -0.43389
  3 O    -1.68340    0.00020   -0.71845
  4 O     1.68340    0.00020   -0.71845
  5 O     0.00000   -0.01125   -1.38954
  6 O     0.00000   -0.00277    1.76764
  7 Pt   -0.00000    0.01418    0.45051
  8 Pt    0.00000   -0.04102    0.76005
  9 O    -1.58129    0.00039    0.05087
 10 O     1.58129    0.00039    0.05087
 11 O     0.00000   -0.00882   -0.56598
 12 O    -0.00000    0.00890    0.12377
 13 Pt   -0.00000    0.24270   -0.03445
 14 Pt    0.00000   -0.02069    0.00581
 15 O     0.00006    0.01072    0.00316
 16 O    -0.00006    0.01072    0.00316
 17 O    -0.00000    0.01837   -0.90062
 18 O     0.00000    0.00026    0.02472
 19 Pt    0.00000   -0.02978    0.09159
 20 Pt    0.00000   -0.08225    0.12263
 21 O    -0.19500    0.34867    0.19759
 22 O     0.19500    0.34867    0.19759
 23 O     0.00000   -0.01518   -0.07458
 24 O     0.00000   -0.00076    1.15022
 25 Pt   -0.00000    0.01595   -0.37820
 26 Pt    0.00000   -0.00022   -0.43371
 27 O    -1.69195    0.01343   -0.71781
 28 O     1.69195    0.01343   -0.71781
 29 O    -0.00000    0.04728   -1.38870
 30 O     0.00000   -0.00445    1.83258
 31 Pt   -0.00000    0.01892    0.51049
 32 Pt    0.00000   -0.14643    0.57508
 33 O    -1.61402   -0.01894    0.06995
 34 O     1.61402   -0.01894    0.06995
 35 O     0.00000   -0.03254   -0.52471
 36 O    -0.00000    0.19714   -0.11224
 37 Pt    0.00000   -0.27503   -0.04053
 38 Pt    0.00000   -0.00403   -0.01211
 39 O     0.01059    0.01175    0.01543
 40 O    -0.01059    0.01175    0.01543
 41 O     0.00000    0.00349   -0.00948
 42 O    -0.00000    0.02997   -0.01483
 43 Pt    0.00000   -0.00141    0.07038
 44 Pt    0.00000   -0.08152    0.02935
 45 O    -0.18707   -0.34536    0.19714
 46 O     0.18707   -0.34536    0.19714
 47 O     0.00000   -0.02324   -0.04473
 48 O    -0.00000    0.02218    1.17222
 49 Pt    0.00000   -0.02269   -0.37747
 50 Pt   -0.00000    0.02120   -0.43537
 51 O    -1.69115   -0.01395   -0.71811
 52 O     1.69115   -0.01395   -0.71811
 53 O     0.00000   -0.01327   -1.40517
 54 O     0.00000   -0.00202    1.77550
 55 Pt    0.00000   -0.01213    0.51572
 56 Pt   -0.00000    0.12868    0.65063
 57 O    -1.61398    0.01379    0.09170
 58 O     1.61398    0.01379    0.09170
 59 O     0.00000   -0.02122   -0.51623
 60 O     0.00000   -0.18901   -0.11067
 61 Pt   -0.00000    0.01025   -0.08219
 62 Pt   -0.00000    0.01791   -0.00667
 63 O    -0.01350   -0.00797    0.00238
 64 O     0.01350   -0.00797    0.00238
 65 O     0.00000   -0.00236   -0.00006
 66 O     0.00000   -0.00798   -0.00286
 67 Pt   -0.00000    0.00665    0.02159
 68 Pt   -0.00000    0.15798    0.00786
 69 O    -0.00859   -0.00403   -0.02312
 70 O     0.00859   -0.00403   -0.02312
 71 O    -0.00000    0.00766   -0.04105
 72 N     0.00000   -0.83233   -0.33893
 73 N    -0.00000    0.74908    0.61799

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             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    2.842028   24.507720    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.919858   23.888484    ( 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  15:15:46  -2.48   +inf  -414.237716    3      1      
iter:   2  15:17:55  -3.21  -3.10  -414.443696    3      1      
iter:   3  15:20:06  -3.62  -2.42  -414.228726    3      1      
iter:   4  15:22:16  -4.10  -3.29  -414.230111    3      1      
iter:   5  15:24:27  -4.27  -3.63  -414.225510    3      1      
iter:   6  15:26:38  -4.33  -3.71  -414.225630    2      1      
iter:   7  15:28:48  -4.95  -3.99  -414.226098    2      1      
iter:   8  15:30:58  -5.16  -4.14  -414.225798    3      1      
iter:   9  15:33:09  -5.30  -4.27  -414.226881    2      1      
iter:  10  15:35:20  -5.66  -3.70  -414.226724    2      1      
iter:  11  15:37:33  -6.22  -3.89  -414.225977    2      1      
iter:  12  15:39:43  -6.74  -4.64  -414.226090    2      1      
iter:  13  15:41:53  -6.65  -4.63  -414.225883    2      1      
iter:  14  15:44:04  -6.61  -4.57  -414.226003    2      1      
iter:  15  15:46:16  -6.91  -4.70  -414.225890    2      1      
iter:  16  15:48:27  -7.61  -4.72  -414.225917    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962624, -32.635382, 0.082913) |e|*Ang

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

Kinetic:        +17.518417
Potential:     -136.441522
External:        +0.000000
XC:            -305.030244
Entropy (-ST):   -1.564479
Local:          +10.509673
--------------------------
Free energy:   -415.008156
Extrapolated:  -414.225917

Fermi level: -6.46562

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53707    0.14920
  0   340     -6.51991    0.14056
  0   341     -6.51873    0.13994
  0   342     -6.49028    0.12474

  1   339     -6.44057    0.19454
  1   340     -6.39160    0.14355
  1   341     -6.35580    0.11115
  1   342     -6.34955    0.10602



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17404
  1 Pt    0.00000   -0.00157   -0.37620
  2 Pt    0.00000   -0.01909   -0.43514
  3 O    -1.68438    0.00017   -0.71867
  4 O     1.68438    0.00017   -0.71867
  5 O     0.00000   -0.01124   -1.38861
  6 O     0.00000   -0.00278    1.76319
  7 Pt   -0.00000    0.01435    0.44902
  8 Pt    0.00000   -0.04100    0.75782
  9 O    -1.58149    0.00064    0.05063
 10 O     1.58149    0.00064    0.05063
 11 O     0.00000   -0.00880   -0.56664
 12 O    -0.00000    0.00910    0.12496
 13 Pt   -0.00000    0.25039   -0.03583
 14 Pt    0.00000   -0.02063    0.00504
 15 O     0.00011    0.01074    0.00291
 16 O    -0.00011    0.01074    0.00291
 17 O    -0.00000    0.01966   -0.93085
 18 O     0.00000    0.00043    0.02518
 19 Pt    0.00000   -0.02958    0.09720
 20 Pt    0.00000   -0.08708    0.12637
 21 O    -0.19729    0.35528    0.20098
 22 O     0.19729    0.35528    0.20098
 23 O     0.00000   -0.01575   -0.07557
 24 O     0.00000   -0.00071    1.15011
 25 Pt   -0.00000    0.01616   -0.37898
 26 Pt    0.00000   -0.00015   -0.43519
 27 O    -1.69291    0.01343   -0.71803
 28 O     1.69291    0.01343   -0.71803
 29 O    -0.00000    0.04691   -1.38856
 30 O     0.00000   -0.00449    1.82787
 31 Pt   -0.00000    0.01884    0.50907
 32 Pt    0.00000   -0.14537    0.57525
 33 O    -1.61422   -0.01912    0.06972
 34 O     1.61422   -0.01912    0.06972
 35 O     0.00000   -0.03251   -0.52517
 36 O    -0.00000    0.20145   -0.11434
 37 Pt    0.00000   -0.28359   -0.04230
 38 Pt    0.00000   -0.00369   -0.01318
 39 O     0.01060    0.01166    0.01518
 40 O    -0.01060    0.01166    0.01518
 41 O     0.00000    0.00376   -0.01391
 42 O    -0.00000    0.03070   -0.01468
 43 Pt    0.00000   -0.00157    0.07523
 44 Pt    0.00000   -0.08277    0.02945
 45 O    -0.19139   -0.35465    0.20343
 46 O     0.19139   -0.35465    0.20343
 47 O     0.00000   -0.02241   -0.04583
 48 O    -0.00000    0.02216    1.17212
 49 Pt    0.00000   -0.02270   -0.37838
 50 Pt   -0.00000    0.02115   -0.43693
 51 O    -1.69219   -0.01393   -0.71832
 52 O     1.69219   -0.01393   -0.71832
 53 O     0.00000   -0.01294   -1.40498
 54 O     0.00000   -0.00199    1.77051
 55 Pt    0.00000   -0.01222    0.51444
 56 Pt   -0.00000    0.12765    0.65056
 57 O    -1.61411    0.01371    0.09136
 58 O     1.61411    0.01371    0.09136
 59 O     0.00000   -0.02127   -0.51680
 60 O     0.00000   -0.19330   -0.11216
 61 Pt   -0.00000    0.01068   -0.08583
 62 Pt   -0.00000    0.01753   -0.00726
 63 O    -0.01366   -0.00791    0.00223
 64 O     0.01366   -0.00791    0.00223
 65 O     0.00000   -0.00220   -0.00514
 66 O     0.00000   -0.00882   -0.00271
 67 Pt   -0.00000    0.00682    0.02255
 68 Pt   -0.00000    0.15863    0.01062
 69 O    -0.00797   -0.00379   -0.02371
 70 O     0.00797   -0.00379   -0.02371
 71 O    -0.00000    0.00753   -0.04153
 72 N     0.00000   -0.68931   -0.24505
 73 N    -0.00000    0.54280    0.42160

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             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            
                   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    2.845539   24.524611    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.911668   23.927637    ( 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  15:54:53  -2.46   +inf  -414.383342    3      1      
iter:   2  15:57:05  -2.66  -2.51  -418.173826    4      1      
iter:   3  15:59:17  -3.05  -1.84  -414.243911    3      1      
iter:   4  16:01:26  -3.62  -3.00  -414.238140    3      1      
iter:   5  16:03:37  -4.16  -3.43  -414.231672    3      1      
iter:   6  16:05:48  -4.31  -3.58  -414.229086    3      1      
iter:   7  16:08:01  -4.48  -3.67  -414.229235    3      1      
iter:   8  16:10:13  -4.86  -3.66  -414.229656    3      1      
iter:   9  16:12:24  -5.35  -4.09  -414.229499    2      1      
iter:  10  16:14:34  -5.70  -4.29  -414.229952    3      1      
iter:  11  16:16:46  -5.68  -4.17  -414.228852    3      1      
iter:  12  16:18:57  -6.15  -4.18  -414.229463    2      1      
iter:  13  16:21:09  -6.50  -4.07  -414.229465    2      1      
iter:  14  16:23:21  -6.74  -4.47  -414.229351    2      1      
iter:  15  16:25:34  -6.67  -4.48  -414.229407    2      1      
iter:  16  16:27:31  -6.96  -4.63  -414.229332    2      1      
iter:  17  16:29:29  -7.65  -5.04  -414.229357    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962734, -32.625669, 0.073583) |e|*Ang

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

Kinetic:        +17.852100
Potential:     -136.736872
External:        +0.000000
XC:            -305.072260
Entropy (-ST):   -1.564727
Local:          +10.510039
--------------------------
Free energy:   -415.011721
Extrapolated:  -414.229357

Fermi level: -6.47286

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54332    0.14871
  0   340     -6.52741    0.14069
  0   341     -6.52632    0.14012
  0   342     -6.49752    0.12475

  1   339     -6.44781    0.19453
  1   340     -6.39905    0.14374
  1   341     -6.36318    0.11126
  1   342     -6.35774    0.10679



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17385
  1 Pt    0.00000   -0.00178   -0.37575
  2 Pt    0.00000   -0.01907   -0.43424
  3 O    -1.68334    0.00021   -0.71865
  4 O     1.68334    0.00021   -0.71865
  5 O     0.00000   -0.01124   -1.38901
  6 O     0.00000   -0.00281    1.76803
  7 Pt   -0.00000    0.01422    0.45029
  8 Pt    0.00000   -0.04110    0.75820
  9 O    -1.58110    0.00048    0.05048
 10 O     1.58110    0.00048    0.05048
 11 O     0.00000   -0.00881   -0.56655
 12 O    -0.00000    0.00908    0.12696
 13 Pt   -0.00000    0.25798   -0.03446
 14 Pt    0.00000   -0.02059    0.00709
 15 O     0.00025    0.01083    0.00299
 16 O    -0.00025    0.01083    0.00299
 17 O    -0.00000    0.02039   -0.95600
 18 O     0.00000    0.00028    0.02480
 19 Pt    0.00000   -0.02875    0.10401
 20 Pt    0.00000   -0.08951    0.13369
 21 O    -0.20040    0.36075    0.20458
 22 O     0.20040    0.36075    0.20458
 23 O     0.00000   -0.01521   -0.07697
 24 O     0.00000   -0.00077    1.14988
 25 Pt   -0.00000    0.01639   -0.37856
 26 Pt    0.00000   -0.00020   -0.43427
 27 O    -1.69190    0.01340   -0.71803
 28 O     1.69190    0.01340   -0.71803
 29 O    -0.00000    0.04660   -1.38922
 30 O     0.00000   -0.00438    1.83316
 31 Pt   -0.00000    0.01894    0.51037
 32 Pt    0.00000   -0.14414    0.57699
 33 O    -1.61378   -0.01900    0.06960
 34 O     1.61378   -0.01900    0.06960
 35 O     0.00000   -0.03252   -0.52524
 36 O    -0.00000    0.20501   -0.11560
 37 Pt    0.00000   -0.29139   -0.04119
 38 Pt    0.00000   -0.00391   -0.01142
 39 O     0.01083    0.01163    0.01528
 40 O    -0.01083    0.01163    0.01528
 41 O     0.00000    0.00391   -0.00718
 42 O    -0.00000    0.03105   -0.01559
 43 Pt    0.00000   -0.00195    0.08366
 44 Pt    0.00000   -0.08572    0.03476
 45 O    -0.19643   -0.36225    0.21224
 46 O     0.19643   -0.36225    0.21224
 47 O     0.00000   -0.02337   -0.04692
 48 O    -0.00000    0.02222    1.17191
 49 Pt    0.00000   -0.02272   -0.37784
 50 Pt   -0.00000    0.02118   -0.43598
 51 O    -1.69114   -0.01394   -0.71828
 52 O     1.69114   -0.01394   -0.71828
 53 O     0.00000   -0.01264   -1.40553
 54 O     0.00000   -0.00205    1.77602
 55 Pt    0.00000   -0.01219    0.51563
 56 Pt   -0.00000    0.12656    0.65209
 57 O    -1.61385    0.01376    0.09094
 58 O     1.61385    0.01376    0.09094
 59 O     0.00000   -0.02125   -0.51688
 60 O     0.00000   -0.19661   -0.11343
 61 Pt   -0.00000    0.01061   -0.08601
 62 Pt   -0.00000    0.01774   -0.00555
 63 O    -0.01371   -0.00801    0.00231
 64 O     0.01371   -0.00801    0.00231
 65 O     0.00000   -0.00198    0.00123
 66 O     0.00000   -0.00904   -0.00378
 67 Pt   -0.00000    0.00648    0.02528
 68 Pt   -0.00000    0.16079    0.01498
 69 O    -0.00880   -0.00390   -0.02224
 70 O     0.00880   -0.00390   -0.02224
 71 O    -0.00000    0.00817   -0.04234
 72 N     0.00000   -0.38116    0.03408
 73 N    -0.00000    0.32256    0.22008

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             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  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    2.850855   24.540973    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.900998   23.966187    ( 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  16:34:08  -2.46   +inf  -414.244001    3      1      
iter:   2  16:36:21  -3.14  -2.96  -414.751014    3      1      
iter:   3  16:38:31  -3.57  -2.25  -414.240622    3      1      
iter:   4  16:40:42  -4.05  -3.39  -414.234154    3      1      
iter:   5  16:42:53  -4.26  -3.45  -414.233473    3      1      
iter:   6  16:45:05  -4.31  -3.65  -414.232836    3      1      
iter:   7  16:47:18  -4.63  -3.78  -414.231713    2      1      
iter:   8  16:49:27  -5.10  -4.09  -414.231821    2      1      
iter:   9  16:51:37  -5.31  -4.18  -414.231207    2      1      
iter:  10  16:53:48  -5.67  -4.19  -414.232673    3      1      
iter:  11  16:55:57  -6.02  -4.00  -414.231563    3      1      
iter:  12  16:58:08  -6.62  -4.25  -414.231618    2      1      
iter:  13  17:00:19  -6.72  -4.47  -414.231931    2      1      
iter:  14  17:02:32  -6.61  -4.32  -414.231891    2      1      
iter:  15  17:04:30  -6.78  -4.50  -414.231878    2      1      
iter:  16  17:06:28  -7.02  -4.65  -414.231653    2      1      
iter:  17  17:08:25  -7.75  -4.96  -414.231807    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962748, -32.616190, 0.066029) |e|*Ang

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

Kinetic:        +17.608059
Potential:     -136.580240
External:        +0.000000
XC:            -304.984180
Entropy (-ST):   -1.564916
Local:          +10.507012
--------------------------
Free energy:   -415.014265
Extrapolated:  -414.231807

Fermi level: -6.47955

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54968    0.14855
  0   340     -6.53392    0.14059
  0   341     -6.53284    0.14003
  0   342     -6.50439    0.12484

  1   339     -6.45421    0.19421
  1   340     -6.40564    0.14364
  1   341     -6.36994    0.11132
  1   342     -6.36536    0.10754



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17447
  1 Pt    0.00000   -0.00195   -0.37620
  2 Pt    0.00000   -0.01906   -0.43503
  3 O    -1.68409    0.00022   -0.71855
  4 O     1.68409    0.00022   -0.71855
  5 O     0.00000   -0.01122   -1.38854
  6 O     0.00000   -0.00281    1.76400
  7 Pt   -0.00000    0.01417    0.44982
  8 Pt    0.00000   -0.04114    0.75709
  9 O    -1.58096    0.00046    0.05110
 10 O     1.58096    0.00046    0.05110
 11 O     0.00000   -0.00880   -0.56622
 12 O    -0.00000    0.00905    0.12901
 13 Pt   -0.00000    0.26474   -0.03470
 14 Pt    0.00000   -0.02055    0.00749
 15 O     0.00025    0.01090    0.00400
 16 O    -0.00025    0.01090    0.00400
 17 O    -0.00000    0.02091   -0.98442
 18 O     0.00000    0.00038    0.02601
 19 Pt    0.00000   -0.02815    0.10373
 20 Pt    0.00000   -0.08971    0.13726
 21 O    -0.20270    0.36587    0.20368
 22 O     0.20270    0.36587    0.20368
 23 O     0.00000   -0.01572   -0.08299
 24 O     0.00000   -0.00079    1.15049
 25 Pt   -0.00000    0.01658   -0.37900
 26 Pt    0.00000   -0.00020   -0.43511
 27 O    -1.69263    0.01340   -0.71791
 28 O     1.69263    0.01340   -0.71791
 29 O    -0.00000    0.04628   -1.38924
 30 O     0.00000   -0.00437    1.82922
 31 Pt   -0.00000    0.01896    0.50991
 32 Pt    0.00000   -0.14312    0.57726
 33 O    -1.61363   -0.01900    0.07021
 34 O     1.61363   -0.01900    0.07021
 35 O     0.00000   -0.03250   -0.52502
 36 O    -0.00000    0.20867   -0.11663
 37 Pt    0.00000   -0.29843   -0.04151
 38 Pt    0.00000   -0.00408   -0.01135
 39 O     0.01090    0.01159    0.01638
 40 O    -0.01090    0.01159    0.01638
 41 O     0.00000    0.00382   -0.00652
 42 O    -0.00000    0.03164   -0.01495
 43 Pt    0.00000   -0.00238    0.08376
 44 Pt    0.00000   -0.08727    0.03043
 45 O    -0.19995   -0.36932    0.21496
 46 O     0.19995   -0.36932    0.21496
 47 O     0.00000   -0.02205   -0.05208
 48 O    -0.00000    0.02224    1.17249
 49 Pt    0.00000   -0.02274   -0.37823
 50 Pt   -0.00000    0.02117   -0.43679
 51 O    -1.69190   -0.01394   -0.71815
 52 O     1.69190   -0.01394   -0.71815
 53 O     0.00000   -0.01234   -1.40553
 54 O     0.00000   -0.00207    1.77219
 55 Pt    0.00000   -0.01216    0.51511
 56 Pt   -0.00000    0.12560    0.65227
 57 O    -1.61380    0.01378    0.09137
 58 O     1.61380    0.01378    0.09137
 59 O     0.00000   -0.02128   -0.51664
 60 O     0.00000   -0.20014   -0.11432
 61 Pt   -0.00000    0.01066   -0.08728
 62 Pt   -0.00000    0.01788   -0.00571
 63 O    -0.01377   -0.00805    0.00331
 64 O     0.01377   -0.00805    0.00331
 65 O     0.00000   -0.00162    0.00108
 66 O     0.00000   -0.00975   -0.00310
 67 Pt   -0.00000    0.00643    0.02256
 68 Pt   -0.00000    0.16089    0.00943
 69 O    -0.00931   -0.00373   -0.02596
 70 O     0.00931   -0.00373   -0.02596
 71 O    -0.00000    0.00746   -0.04725
 72 N     0.00000   -0.59733   -0.21756
 73 N    -0.00000    0.56658    0.35853

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             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  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    2.851466   24.560361    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.896119   24.005888    ( 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  17:13:02  -2.44   +inf  -414.364565    4      1      
iter:   2  17:15:13  -2.74  -2.57  -417.327997    4      1      
iter:   3  17:17:24  -3.13  -1.88  -414.246989    3      1      
iter:   4  17:19:35  -3.75  -3.06  -414.248316    3      1      
iter:   5  17:21:47  -4.31  -3.39  -414.241114    3      1      
iter:   6  17:23:58  -4.30  -3.54  -414.237021    3      1      
iter:   7  17:26:10  -4.33  -3.63  -414.236960    3      1      
iter:   8  17:28:19  -4.74  -3.89  -414.237452    3      1      
iter:   9  17:30:25  -5.34  -3.79  -414.237673    2      1      
iter:  10  17:32:33  -5.63  -4.06  -414.237790    3      1      
iter:  11  17:34:41  -5.58  -4.19  -414.237006    3      1      
iter:  12  17:36:47  -6.18  -4.19  -414.237672    2      1      
iter:  13  17:38:57  -6.28  -4.37  -414.237330    3      1      
iter:  14  17:41:03  -6.36  -4.54  -414.237267    2      1      
iter:  15  17:43:01  -6.86  -4.46  -414.237467    2      1      
iter:  16  17:44:59  -6.85  -4.20  -414.237280    2      1      
iter:  17  17:46:57  -6.89  -4.54  -414.237392    2      1      
iter:  18  17:48:55  -7.11  -4.66  -414.237181    2      1      
iter:  19  17:50:54  -7.20  -4.74  -414.237298    2      1      
iter:  20  17:52:51  -7.90  -5.15  -414.237306    2      1      

Converged after 20 iterations.

Dipole moment: (-55.962914, -32.608217, 0.058413) |e|*Ang

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

Kinetic:        +18.350336
Potential:     -137.177186
External:        +0.000000
XC:            -305.132433
Entropy (-ST):   -1.565224
Local:          +10.504588
--------------------------
Free energy:   -415.019919
Extrapolated:  -414.237306

Fermi level: -6.48535

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55474    0.14818
  0   340     -6.53987    0.14067
  0   341     -6.53888    0.14016
  0   342     -6.51029    0.12490

  1   339     -6.46014    0.19436
  1   340     -6.41155    0.14375
  1   341     -6.37596    0.11150
  1   342     -6.37180    0.10806



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17378
  1 Pt    0.00000   -0.00205   -0.37614
  2 Pt    0.00000   -0.01909   -0.43481
  3 O    -1.68267    0.00020   -0.71897
  4 O     1.68267    0.00020   -0.71897
  5 O     0.00000   -0.01118   -1.38872
  6 O     0.00000   -0.00272    1.76998
  7 Pt   -0.00000    0.01413    0.45203
  8 Pt    0.00000   -0.04114    0.75791
  9 O    -1.58102    0.00047    0.05109
 10 O     1.58102    0.00047    0.05109
 11 O     0.00000   -0.00880   -0.56637
 12 O    -0.00000    0.00883    0.12947
 13 Pt   -0.00000    0.27043   -0.03520
 14 Pt    0.00000   -0.02077    0.00701
 15 O    -0.00041    0.01096    0.00313
 16 O     0.00041    0.01096    0.00313
 17 O    -0.00000    0.02079   -1.00166
 18 O     0.00000    0.00014    0.02569
 19 Pt    0.00000   -0.02663    0.11367
 20 Pt    0.00000   -0.09002    0.14544
 21 O    -0.20479    0.37161    0.21123
 22 O     0.20479    0.37161    0.21123
 23 O     0.00000   -0.01390   -0.07975
 24 O     0.00000   -0.00077    1.14973
 25 Pt   -0.00000    0.01673   -0.37886
 26 Pt    0.00000   -0.00015   -0.43503
 27 O    -1.69119    0.01340   -0.71833
 28 O     1.69119    0.01340   -0.71833
 29 O    -0.00000    0.04599   -1.38971
 30 O     0.00000   -0.00446    1.83518
 31 Pt   -0.00000    0.01895    0.51199
 32 Pt    0.00000   -0.14237    0.57951
 33 O    -1.61376   -0.01897    0.07016
 34 O     1.61376   -0.01897    0.07016
 35 O     0.00000   -0.03251   -0.52507
 36 O    -0.00000    0.21143   -0.11843
 37 Pt    0.00000   -0.30402   -0.04213
 38 Pt    0.00000   -0.00360   -0.01182
 39 O     0.01047    0.01146    0.01548
 40 O    -0.01047    0.01146    0.01548
 41 O    -0.00000    0.00443   -0.00188
 42 O    -0.00000    0.03274   -0.01588
 43 Pt    0.00000   -0.00331    0.09692
 44 Pt    0.00000   -0.08901    0.04157
 45 O    -0.20466   -0.37655    0.22954
 46 O     0.20466   -0.37655    0.22954
 47 O     0.00000   -0.02415   -0.04940
 48 O    -0.00000    0.02225    1.17173
 49 Pt    0.00000   -0.02277   -0.37822
 50 Pt   -0.00000    0.02115   -0.43682
 51 O    -1.69053   -0.01393   -0.71855
 52 O     1.69053   -0.01393   -0.71855
 53 O     0.00000   -0.01209   -1.40597
 54 O     0.00000   -0.00205    1.77805
 55 Pt    0.00000   -0.01212    0.51742
 56 Pt   -0.00000    0.12486    0.65454
 57 O    -1.61392    0.01375    0.09128
 58 O     1.61392    0.01375    0.09128
 59 O     0.00000   -0.02129   -0.51641
 60 O     0.00000   -0.20248   -0.11593
 61 Pt   -0.00000    0.01049   -0.08868
 62 Pt   -0.00000    0.01767   -0.00631
 63 O    -0.01453   -0.00801    0.00265
 64 O     0.01453   -0.00801    0.00265
 65 O     0.00000   -0.00175    0.00438
 66 O     0.00000   -0.01053   -0.00414
 67 Pt   -0.00000    0.00594    0.02733
 68 Pt   -0.00000    0.16181    0.01794
 69 O    -0.00934   -0.00428   -0.02251
 70 O     0.00934   -0.00428   -0.02251
 71 O    -0.00000    0.00801   -0.04503
 72 N    -0.00000    0.12760    0.15714
 73 N     0.00000   -0.05330   -0.04967

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             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  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    2.854445   24.578349    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.889320   24.045306    ( 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  17:57:29  -2.47   +inf  -414.249383    3      1      
iter:   2  17:59:39  -3.27  -3.11  -414.453750    3      1      
iter:   3  18:01:50  -3.75  -2.43  -414.238746    3      1      
iter:   4  18:04:00  -4.20  -3.47  -414.242579    3      1      
iter:   5  18:06:12  -4.29  -3.67  -414.238515    3      1      
iter:   6  18:08:25  -4.37  -3.52  -414.239142    3      1      
iter:   7  18:10:34  -4.89  -3.73  -414.238700    3      1      
iter:   8  18:12:45  -5.19  -4.09  -414.238835    3      1      
iter:   9  18:14:56  -5.29  -4.00  -414.238923    3      1      
iter:  10  18:17:07  -6.12  -4.06  -414.238180    2      1      
iter:  11  18:19:17  -6.20  -4.33  -414.239003    2      1      
iter:  12  18:21:28  -6.69  -4.43  -414.238624    2      1      
iter:  13  18:23:39  -6.65  -4.71  -414.238561    2      1      
iter:  14  18:25:50  -6.76  -4.35  -414.238564    2      1      
iter:  15  18:27:59  -7.17  -4.74  -414.238636    2      1      
iter:  16  18:29:57  -7.34  -4.68  -414.238726    2      1      
iter:  17  18:31:55  -8.09  -5.15  -414.238669    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962959, -32.600279, 0.051299) |e|*Ang

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

Kinetic:        +18.666358
Potential:     -137.455434
External:        +0.000000
XC:            -305.171944
Entropy (-ST):   -1.565538
Local:          +10.505120
--------------------------
Free energy:   -415.021438
Extrapolated:  -414.238669

Fermi level: -6.49162

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56083    0.14810
  0   340     -6.54595    0.14057
  0   341     -6.54497    0.14007
  0   342     -6.51682    0.12504

  1   339     -6.46627    0.19420
  1   340     -6.41768    0.14361
  1   341     -6.38242    0.11166
  1   342     -6.37874    0.10861



Forces in eV/Ang:
  0 O     0.00000   -0.01757    1.17372
  1 Pt    0.00000   -0.00219   -0.37590
  2 Pt    0.00000   -0.01909   -0.43475
  3 O    -1.68311    0.00021   -0.71860
  4 O     1.68311    0.00021   -0.71860
  5 O     0.00000   -0.01115   -1.38775
  6 O     0.00000   -0.00272    1.76821
  7 Pt   -0.00000    0.01408    0.45171
  8 Pt    0.00000   -0.04116    0.75738
  9 O    -1.58102    0.00048    0.05167
 10 O     1.58102    0.00048    0.05167
 11 O     0.00000   -0.00878   -0.56627
 12 O    -0.00000    0.00888    0.13114
 13 Pt   -0.00000    0.27575   -0.03540
 14 Pt    0.00000   -0.02072    0.00721
 15 O    -0.00022    0.01086    0.00348
 16 O     0.00022    0.01086    0.00348
 17 O    -0.00000    0.02073   -1.02484
 18 O     0.00000    0.00018    0.02595
 19 Pt    0.00000   -0.02692    0.11594
 20 Pt    0.00000   -0.09073    0.14420
 21 O    -0.20636    0.37536    0.21249
 22 O     0.20636    0.37536    0.21249
 23 O     0.00000   -0.01471   -0.08147
 24 O     0.00000   -0.00078    1.14966
 25 Pt   -0.00000    0.01688   -0.37860
 26 Pt    0.00000   -0.00016   -0.43503
 27 O    -1.69162    0.01340   -0.71796
 28 O     1.69162    0.01340   -0.71796
 29 O    -0.00000    0.04573   -1.38911
 30 O     0.00000   -0.00451    1.83359
 31 Pt   -0.00000    0.01903    0.51168
 32 Pt    0.00000   -0.14162    0.58008
 33 O    -1.61373   -0.01897    0.07072
 34 O     1.61373   -0.01897    0.07072
 35 O     0.00000   -0.03252   -0.52493
 36 O    -0.00000    0.21428   -0.11913
 37 Pt    0.00000   -0.30959   -0.04257
 38 Pt    0.00000   -0.00362   -0.01195
 39 O     0.01069    0.01155    0.01583
 40 O    -0.01069    0.01155    0.01583
 41 O    -0.00000    0.00430   -0.00440
 42 O    -0.00000    0.03288   -0.01589
 43 Pt    0.00000   -0.00285    0.09803
 44 Pt    0.00000   -0.08955    0.03926
 45 O    -0.20671   -0.38170    0.23151
 46 O     0.20671   -0.38170    0.23151
 47 O     0.00000   -0.02343   -0.05153
 48 O    -0.00000    0.02227    1.17167
 49 Pt    0.00000   -0.02279   -0.37796
 50 Pt   -0.00000    0.02116   -0.43683
 51 O    -1.69097   -0.01393   -0.71816
 52 O     1.69097   -0.01393   -0.71816
 53 O     0.00000   -0.01186   -1.40531
 54 O     0.00000   -0.00201    1.77646
 55 Pt    0.00000   -0.01215    0.51719
 56 Pt   -0.00000    0.12415    0.65494
 57 O    -1.61396    0.01374    0.09174
 58 O     1.61396    0.01374    0.09174
 59 O     0.00000   -0.02130   -0.51623
 60 O     0.00000   -0.20527   -0.11636
 61 Pt   -0.00000    0.01072   -0.09036
 62 Pt   -0.00000    0.01766   -0.00636
 63 O    -0.01461   -0.00799    0.00298
 64 O     0.01461   -0.00799    0.00298
 65 O     0.00000   -0.00134    0.00176
 66 O     0.00000   -0.01065   -0.00421
 67 Pt   -0.00000    0.00596    0.02721
 68 Pt   -0.00000    0.16245    0.01840
 69 O    -0.00887   -0.00408   -0.02353
 70 O     0.00887   -0.00408   -0.02353
 71 O    -0.00000    0.00814   -0.04635
 72 N    -0.00000    0.41158    0.36566
 73 N     0.00000   -0.28395   -0.10739

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             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  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    2.857767   24.596207    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.881776   24.084589    ( 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  18:36:33  -2.48   +inf  -414.245646    3      1      
iter:   2  18:38:43  -3.35  -3.54  -414.242512    3      1      
iter:   3  18:40:54  -3.87  -3.44  -414.250978    3      1      
iter:   4  18:43:04  -4.29  -3.18  -414.247092    2      1      
iter:   5  18:45:14  -4.27  -3.51  -414.242402    3      1      
iter:   6  18:47:24  -4.40  -3.74  -414.242626    2      1      
iter:   7  18:49:36  -4.96  -3.97  -414.242809    2      1      
iter:   8  18:51:49  -5.24  -4.23  -414.242947    3      1      
iter:   9  18:54:00  -5.48  -4.16  -414.242679    2      1      
iter:  10  18:56:10  -6.04  -4.56  -414.242860    2      1      
iter:  11  18:58:20  -6.52  -4.36  -414.242527    2      1      
iter:  12  19:00:32  -6.79  -4.35  -414.242478    2      1      
iter:  13  19:02:45  -6.68  -4.56  -414.242843    2      1      
iter:  14  19:04:56  -7.20  -4.56  -414.242609    2      1      
iter:  15  19:07:06  -7.31  -4.95  -414.242689    2      1      
iter:  16  19:09:05  -7.50  -5.15  -414.242662    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963000, -32.592863, 0.044083) |e|*Ang

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

Kinetic:        +18.785347
Potential:     -137.582643
External:        +0.000000
XC:            -305.167775
Entropy (-ST):   -1.565640
Local:          +10.505230
--------------------------
Free energy:   -415.025482
Extrapolated:  -414.242662

Fermi level: -6.49744

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56609    0.14782
  0   340     -6.55182    0.14060
  0   341     -6.55090    0.14013
  0   342     -6.52272    0.12508

  1   339     -6.47202    0.19413
  1   340     -6.42356    0.14368
  1   341     -6.38853    0.11191
  1   342     -6.38497    0.10895



Forces in eV/Ang:
  0 O     0.00000   -0.01755    1.17404
  1 Pt    0.00000   -0.00230   -0.37599
  2 Pt    0.00000   -0.01904   -0.43454
  3 O    -1.68266    0.00028   -0.71869
  4 O     1.68266    0.00028   -0.71869
  5 O     0.00000   -0.01114   -1.38812
  6 O     0.00000   -0.00275    1.76899
  7 Pt   -0.00000    0.01393    0.45172
  8 Pt    0.00000   -0.04128    0.75731
  9 O    -1.58083    0.00033    0.05122
 10 O     1.58083    0.00033    0.05122
 11 O     0.00000   -0.00882   -0.56664
 12 O    -0.00000    0.00883    0.13210
 13 Pt   -0.00000    0.28065   -0.03532
 14 Pt    0.00000   -0.02070    0.00795
 15 O    -0.00005    0.01094    0.00336
 16 O     0.00005    0.01094    0.00336
 17 O    -0.00000    0.02055   -1.04450
 18 O     0.00000    0.00012    0.02600
 19 Pt    0.00000   -0.02607    0.11796
 20 Pt    0.00000   -0.08953    0.14441
 21 O    -0.20852    0.37939    0.21363
 22 O     0.20852    0.37939    0.21363
 23 O     0.00000   -0.01482   -0.08420
 24 O     0.00000   -0.00084    1.14998
 25 Pt   -0.00000    0.01701   -0.37868
 26 Pt    0.00000   -0.00024   -0.43477
 27 O    -1.69121    0.01335   -0.71805
 28 O     1.69121    0.01335   -0.71805
 29 O    -0.00000    0.04553   -1.38966
 30 O     0.00000   -0.00438    1.83474
 31 Pt   -0.00000    0.01912    0.51163
 32 Pt    0.00000   -0.14074    0.58080
 33 O    -1.61348   -0.01890    0.07027
 34 O     1.61348   -0.01890    0.07027
 35 O     0.00000   -0.03246   -0.52549
 36 O    -0.00000    0.21680   -0.12050
 37 Pt    0.00000   -0.31451   -0.04259
 38 Pt    0.00000   -0.00388   -0.01156
 39 O     0.01093    0.01151    0.01580
 40 O    -0.01093    0.01151    0.01580
 41 O    -0.00000    0.00419   -0.00056
 42 O    -0.00000    0.03329   -0.01635
 43 Pt    0.00000   -0.00329    0.10066
 44 Pt    0.00000   -0.09064    0.03877
 45 O    -0.20963   -0.38684    0.23534
 46 O     0.20963   -0.38684    0.23534
 47 O     0.00000   -0.02325   -0.05408
 48 O    -0.00000    0.02231    1.17195
 49 Pt    0.00000   -0.02281   -0.37796
 50 Pt   -0.00000    0.02119   -0.43654
 51 O    -1.69050   -0.01396   -0.71823
 52 O     1.69050   -0.01396   -0.71823
 53 O     0.00000   -0.01166   -1.40574
 54 O     0.00000   -0.00211    1.77793
 55 Pt    0.00000   -0.01209    0.51712
 56 Pt   -0.00000    0.12338    0.65554
 57 O    -1.61385    0.01382    0.09110
 58 O     1.61385    0.01382    0.09110
 59 O     0.00000   -0.02132   -0.51681
 60 O     0.00000   -0.20764   -0.11769
 61 Pt   -0.00000    0.01074   -0.09101
 62 Pt   -0.00000    0.01790   -0.00624
 63 O    -0.01452   -0.00804    0.00272
 64 O     0.01452   -0.00804    0.00272
 65 O     0.00000   -0.00093    0.00493
 66 O     0.00000   -0.01101   -0.00486
 67 Pt   -0.00000    0.00567    0.02693
 68 Pt   -0.00000    0.16274    0.01736
 69 O    -0.00978   -0.00411   -0.02494
 70 O     0.00978   -0.00411   -0.02494
 71 O    -0.00000    0.00814   -0.04863
 72 N    -0.00000    0.40988    0.35235
 73 N     0.00000   -0.35440   -0.24226

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             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  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    2.862638   24.614745    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.875535   24.124099    ( 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  19:13:42  -2.46   +inf  -414.267055    3      1      
iter:   2  19:15:54  -3.12  -2.87  -415.034686    3      1      
iter:   3  19:18:05  -3.55  -2.16  -414.250777    3      1      
iter:   4  19:20:16  -4.08  -3.31  -414.246989    2      1      
iter:   5  19:22:27  -4.13  -3.82  -414.241937    3      1      
iter:   6  19:24:38  -4.35  -3.57  -414.245259    3      1      
iter:   7  19:26:49  -4.99  -3.81  -414.244436    3      1      
iter:   8  19:29:00  -5.41  -4.11  -414.244573    3      1      
iter:   9  19:31:10  -5.44  -4.07  -414.245893    2      1      
iter:  10  19:33:21  -5.49  -3.42  -414.244234    3      1      
iter:  11  19:35:34  -5.99  -4.34  -414.244633    2      1      
iter:  12  19:37:47  -6.40  -4.51  -414.244225    2      1      
iter:  13  19:40:00  -6.68  -4.51  -414.244655    2      1      
iter:  14  19:42:12  -6.85  -4.63  -414.244548    2      1      
iter:  15  19:44:23  -7.03  -4.85  -414.244601    2      1      
iter:  16  19:46:33  -7.29  -4.40  -414.244478    2      1      
iter:  17  19:48:44  -7.66  -4.85  -414.244432    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963045, -32.586143, 0.038270) |e|*Ang

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

Kinetic:        +18.727662
Potential:     -137.562758
External:        +0.000000
XC:            -305.132783
Entropy (-ST):   -1.565926
Local:          +10.506411
--------------------------
Free energy:   -415.027395
Extrapolated:  -414.244432

Fermi level: -6.50248

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57109    0.14780
  0   340     -6.55668    0.14051
  0   341     -6.55577    0.14004
  0   342     -6.52805    0.12524

  1   339     -6.47694    0.19400
  1   340     -6.42844    0.14352
  1   341     -6.39392    0.11219
  1   342     -6.39046    0.10932



Forces in eV/Ang:
  0 O     0.00000   -0.01756    1.17420
  1 Pt    0.00000   -0.00236   -0.37540
  2 Pt    0.00000   -0.01905   -0.43427
  3 O    -1.68317    0.00025   -0.71835
  4 O     1.68317    0.00025   -0.71835
  5 O     0.00000   -0.01117   -1.38751
  6 O     0.00000   -0.00283    1.76722
  7 Pt   -0.00000    0.01401    0.45180
  8 Pt    0.00000   -0.04136    0.75676
  9 O    -1.58125    0.00043    0.05198
 10 O     1.58125    0.00043    0.05198
 11 O     0.00000   -0.00884   -0.56623
 12 O    -0.00000    0.00897    0.13343
 13 Pt   -0.00000    0.28498   -0.03565
 14 Pt    0.00000   -0.02051    0.00806
 15 O    -0.00026    0.01103    0.00410
 16 O     0.00026    0.01103    0.00410
 17 O    -0.00000    0.02011   -1.06394
 18 O     0.00000    0.00031    0.02685
 19 Pt    0.00000   -0.02595    0.11914
 20 Pt    0.00000   -0.08710    0.14852
 21 O    -0.20938    0.38267    0.21532
 22 O     0.20938    0.38267    0.21532
 23 O     0.00000   -0.01497   -0.08580
 24 O     0.00000   -0.00083    1.15013
 25 Pt   -0.00000    0.01711   -0.37818
 26 Pt    0.00000   -0.00018   -0.43465
 27 O    -1.69171    0.01339   -0.71773
 28 O     1.69171    0.01339   -0.71773
 29 O    -0.00000    0.04538   -1.38942
 30 O     0.00000   -0.00435    1.83272
 31 Pt   -0.00000    0.01907    0.51186
 32 Pt    0.00000   -0.14014    0.58124
 33 O    -1.61387   -0.01899    0.07104
 34 O     1.61387   -0.01899    0.07104
 35 O     0.00000   -0.03247   -0.52509
 36 O    -0.00000    0.21892   -0.12073
 37 Pt    0.00000   -0.31898   -0.04323
 38 Pt    0.00000   -0.00391   -0.01141
 39 O     0.01066    0.01148    0.01653
 40 O    -0.01066    0.01148    0.01653
 41 O    -0.00000    0.00435   -0.00357
 42 O    -0.00000    0.03382   -0.01591
 43 Pt    0.00000   -0.00347    0.10223
 44 Pt    0.00000   -0.09138    0.03824
 45 O    -0.21162   -0.39133    0.23865
 46 O     0.21162   -0.39133    0.23865
 47 O     0.00000   -0.02282   -0.05592
 48 O    -0.00000    0.02232    1.17214
 49 Pt    0.00000   -0.02284   -0.37742
 50 Pt   -0.00000    0.02114   -0.43637
 51 O    -1.69105   -0.01396   -0.71788
 52 O     1.69105   -0.01396   -0.71788
 53 O     0.00000   -0.01149   -1.40535
 54 O     0.00000   -0.00207    1.77587
 55 Pt    0.00000   -0.01212    0.51721
 56 Pt   -0.00000    0.12287    0.65575
 57 O    -1.61429    0.01382    0.09176
 58 O     1.61429    0.01382    0.09176
 59 O     0.00000   -0.02130   -0.51653
 60 O     0.00000   -0.20986   -0.11770
 61 Pt   -0.00000    0.01091   -0.09219
 62 Pt   -0.00000    0.01777   -0.00583
 63 O    -0.01473   -0.00812    0.00356
 64 O     0.01473   -0.00812    0.00356
 65 O     0.00000   -0.00081    0.00181
 66 O     0.00000   -0.01171   -0.00421
 67 Pt   -0.00000    0.00587    0.02564
 68 Pt   -0.00000    0.16202    0.01627
 69 O    -0.00942   -0.00389   -0.02578
 70 O     0.00942   -0.00389   -0.02578
 71 O    -0.00000    0.00789   -0.05048
 72 N    -0.00000    0.37452    0.27229
 73 N     0.00000   -0.31848   -0.16700

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 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    2.867548   24.633309    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.869354   24.163618    ( 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  19:55:08  -2.46   +inf  -414.248569    3      1      
iter:   2  19:57:19  -3.34  -3.65  -414.249815    2      1      
iter:   3  19:59:29  -3.86  -3.52  -414.256198    2      1      
iter:   4  20:01:39  -4.16  -3.10  -414.250095    2      1      
iter:   5  20:03:50  -4.15  -3.66  -414.245325    3      1      
iter:   6  20:05:57  -4.56  -3.60  -414.247568    3      1      
iter:   7  20:08:05  -5.12  -4.03  -414.247417    2      1      
iter:   8  20:10:13  -5.25  -4.14  -414.247517    2      1      
iter:   9  20:12:21  -5.37  -4.15  -414.247279    2      1      
iter:  10  20:14:29  -5.92  -4.33  -414.247200    2      1      
iter:  11  20:16:37  -6.66  -4.49  -414.247238    2      1      
iter:  12  20:18:44  -6.68  -4.48  -414.247029    2      1      
iter:  13  20:20:52  -6.73  -4.59  -414.247524    2      1      
iter:  14  20:23:00  -6.94  -4.60  -414.247207    2      1      
iter:  15  20:24:58  -7.39  -4.77  -414.247233    2      1      
iter:  16  20:26:55  -7.63  -5.22  -414.247242    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963103, -32.579756, 0.031853) |e|*Ang

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

Kinetic:        +18.551944
Potential:     -137.441280
External:        +0.000000
XC:            -305.081641
Entropy (-ST):   -1.565911
Local:          +10.506690
--------------------------
Free energy:   -415.030198
Extrapolated:  -414.247242

Fermi level: -6.50769

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57578    0.14754
  0   340     -6.56196    0.14054
  0   341     -6.56111    0.14010
  0   342     -6.53334    0.12528

  1   339     -6.48207    0.19391
  1   340     -6.43375    0.14362
  1   341     -6.39950    0.11251
  1   342     -6.39583    0.10945



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17441
  1 Pt    0.00000   -0.00245   -0.37578
  2 Pt    0.00000   -0.01906   -0.43406
  3 O    -1.68280    0.00028   -0.71847
  4 O     1.68280    0.00028   -0.71847
  5 O     0.00000   -0.01109   -1.38772
  6 O     0.00000   -0.00273    1.76849
  7 Pt   -0.00000    0.01392    0.45153
  8 Pt    0.00000   -0.04134    0.75634
  9 O    -1.58074    0.00041    0.05114
 10 O     1.58074    0.00041    0.05114
 11 O     0.00000   -0.00883   -0.56702
 12 O    -0.00000    0.00882    0.13343
 13 Pt   -0.00000    0.28894   -0.03567
 14 Pt    0.00000   -0.02067    0.00837
 15 O    -0.00012    0.01092    0.00323
 16 O     0.00012    0.01092    0.00323
 17 O    -0.00000    0.01956   -1.07753
 18 O     0.00000    0.00016    0.02635
 19 Pt    0.00000   -0.02544    0.12242
 20 Pt    0.00000   -0.08513    0.15088
 21 O    -0.21134    0.38628    0.21694
 22 O     0.21134    0.38628    0.21694
 23 O     0.00000   -0.01496   -0.08684
 24 O     0.00000   -0.00084    1.15031
 25 Pt   -0.00000    0.01720   -0.37847
 26 Pt    0.00000   -0.00020   -0.43445
 27 O    -1.69133    0.01335   -0.71782
 28 O     1.69133    0.01335   -0.71782
 29 O    -0.00000    0.04512   -1.38984
 30 O     0.00000   -0.00446    1.83427
 31 Pt   -0.00000    0.01913    0.51143
 32 Pt    0.00000   -0.13963    0.58166
 33 O    -1.61340   -0.01896    0.07020
 34 O     1.61340   -0.01896    0.07020
 35 O     0.00000   -0.03245   -0.52581
 36 O    -0.00000    0.22103   -0.12232
 37 Pt    0.00000   -0.32298   -0.04339
 38 Pt    0.00000   -0.00368   -0.01138
 39 O     0.01093    0.01151    0.01563
 40 O    -0.01093    0.01151    0.01563
 41 O    -0.00000    0.00456    0.00008
 42 O    -0.00000    0.03416   -0.01664
 43 Pt    0.00000   -0.00356    0.10604
 44 Pt    0.00000   -0.09242    0.03910
 45 O    -0.21422   -0.39572    0.24220
 46 O     0.21422   -0.39572    0.24220
 47 O     0.00000   -0.02282   -0.05736
 48 O    -0.00000    0.02233    1.17230
 49 Pt    0.00000   -0.02284   -0.37780
 50 Pt   -0.00000    0.02117   -0.43626
 51 O    -1.69067   -0.01395   -0.71800
 52 O     1.69067   -0.01395   -0.71800
 53 O     0.00000   -0.01130   -1.40584
 54 O     0.00000   -0.00205    1.77735
 55 Pt    0.00000   -0.01210    0.51705
 56 Pt   -0.00000    0.12232    0.65618
 57 O    -1.61384    0.01380    0.09089
 58 O     1.61384    0.01380    0.09089
 59 O     0.00000   -0.02133   -0.51707
 60 O     0.00000   -0.21176   -0.11910
 61 Pt   -0.00000    0.01099   -0.09310
 62 Pt   -0.00000    0.01771   -0.00597
 63 O    -0.01474   -0.00802    0.00268
 64 O     0.01474   -0.00802    0.00268
 65 O     0.00000   -0.00059    0.00448
 66 O     0.00000   -0.01190   -0.00525
 67 Pt   -0.00000    0.00555    0.02680
 68 Pt   -0.00000    0.16227    0.01729
 69 O    -0.00988   -0.00403   -0.02630
 70 O     0.00988   -0.00403   -0.02630
 71 O    -0.00000    0.00786   -0.05155
 72 N    -0.00000    0.26914    0.19681
 73 N     0.00000   -0.23207   -0.01493

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 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    2.872101   24.652271    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.862840   24.203084    ( 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  20:34:41  -2.46   +inf  -414.277831    3      1      
iter:   2  20:36:51  -3.09  -2.83  -415.216230    3      1      
iter:   3  20:39:02  -3.52  -2.12  -414.260564    3      1      
iter:   4  20:41:13  -4.05  -3.29  -414.252705    3      1      
iter:   5  20:43:25  -4.25  -3.72  -414.256151    3      1      
iter:   6  20:45:36  -4.35  -3.45  -414.250937    3      1      
iter:   7  20:47:47  -4.79  -3.96  -414.251243    2      1      
iter:   8  20:49:57  -5.13  -4.10  -414.251236    3      1      
iter:   9  20:52:08  -5.27  -4.27  -414.251413    2      1      
iter:  10  20:54:19  -5.76  -4.09  -414.250967    2      1      
iter:  11  20:56:30  -5.84  -3.69  -414.251123    2      1      
iter:  12  20:58:40  -6.38  -4.56  -414.251199    2      1      
iter:  13  21:00:52  -6.56  -4.62  -414.251395    2      1      
iter:  14  21:02:59  -6.74  -4.76  -414.251026    2      1      
iter:  15  21:05:03  -7.35  -4.65  -414.251282    2      1      
iter:  16  21:07:10  -7.63  -5.02  -414.251276    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963140, -32.574292, 0.026275) |e|*Ang

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

Kinetic:        +18.300030
Potential:     -137.260635
External:        +0.000000
XC:            -305.012490
Entropy (-ST):   -1.565950
Local:          +10.504794
--------------------------
Free energy:   -415.034251
Extrapolated:  -414.251276

Fermi level: -6.51229

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57996    0.14734
  0   340     -6.56663    0.14058
  0   341     -6.56584    0.14017
  0   342     -6.53805    0.12535

  1   339     -6.48663    0.19387
  1   340     -6.43842    0.14369
  1   341     -6.40451    0.11286
  1   342     -6.40056    0.10956



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17410
  1 Pt    0.00000   -0.00257   -0.37597
  2 Pt    0.00000   -0.01912   -0.43491
  3 O    -1.68202    0.00022   -0.71876
  4 O     1.68202    0.00022   -0.71876
  5 O     0.00000   -0.01108   -1.38774
  6 O     0.00000   -0.00274    1.77073
  7 Pt   -0.00000    0.01403    0.45333
  8 Pt    0.00000   -0.04131    0.75705
  9 O    -1.58074    0.00056    0.05221
 10 O     1.58074    0.00056    0.05221
 11 O     0.00000   -0.00876   -0.56590
 12 O    -0.00000    0.00894    0.13495
 13 Pt   -0.00000    0.29246   -0.03333
 14 Pt    0.00000   -0.02052    0.00995
 15 O    -0.00049    0.01098    0.00474
 16 O     0.00049    0.01098    0.00474
 17 O    -0.00000    0.01897   -1.08757
 18 O     0.00000    0.00036    0.02672
 19 Pt    0.00000   -0.02558    0.12534
 20 Pt    0.00000   -0.08245    0.15597
 21 O    -0.21288    0.38909    0.21857
 22 O     0.21288    0.38909    0.21857
 23 O     0.00000   -0.01545   -0.08825
 24 O     0.00000   -0.00077    1.15000
 25 Pt   -0.00000    0.01729   -0.37861
 26 Pt    0.00000   -0.00010   -0.43540
 27 O    -1.69053    0.01337   -0.71811
 28 O     1.69053    0.01337   -0.71811
 29 O    -0.00000    0.04497   -1.39016
 30 O     0.00000   -0.00446    1.83637
 31 Pt   -0.00000    0.01911    0.51340
 32 Pt    0.00000   -0.13926    0.58319
 33 O    -1.61339   -0.01904    0.07131
 34 O     1.61339   -0.01904    0.07131
 35 O     0.00000   -0.03253   -0.52471
 36 O    -0.00000    0.22262   -0.12200
 37 Pt    0.00000   -0.32665   -0.04134
 38 Pt    0.00000   -0.00375   -0.00987
 39 O     0.01049    0.01146    0.01724
 40 O    -0.01049    0.01146    0.01724
 41 O    -0.00000    0.00480    0.00341
 42 O    -0.00000    0.03433   -0.01643
 43 Pt    0.00000   -0.00355    0.10876
 44 Pt    0.00000   -0.09316    0.03856
 45 O    -0.21628   -0.39951    0.24394
 46 O     0.21628   -0.39951    0.24394
 47 O     0.00000   -0.02221   -0.05942
 48 O    -0.00000    0.02230    1.17198
 49 Pt    0.00000   -0.02281   -0.37804
 50 Pt   -0.00000    0.02113   -0.43728
 51 O    -1.68992   -0.01391   -0.71828
 52 O     1.68992   -0.01391   -0.71828
 53 O     0.00000   -0.01114   -1.40616
 54 O     0.00000   -0.00203    1.77916
 55 Pt    0.00000   -0.01219    0.51883
 56 Pt   -0.00000    0.12193    0.65752
 57 O    -1.61381    0.01374    0.09187
 58 O     1.61381    0.01374    0.09187
 59 O     0.00000   -0.02131   -0.51609
 60 O     0.00000   -0.21341   -0.11853
 61 Pt   -0.00000    0.01125   -0.09176
 62 Pt   -0.00000    0.01763   -0.00415
 63 O    -0.01509   -0.00806    0.00422
 64 O     0.01509   -0.00806    0.00422
 65 O     0.00000   -0.00050    0.00773
 66 O     0.00000   -0.01228   -0.00492
 67 Pt   -0.00000    0.00577    0.02764
 68 Pt   -0.00000    0.16173    0.01747
 69 O    -0.01049   -0.00374   -0.02661
 70 O     0.01049   -0.00374   -0.02661
 71 O    -0.00000    0.00776   -0.05334
 72 N    -0.00000    0.03824    0.16048
 73 N    -0.00000    0.02747    0.00555

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 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    2.874613   24.673753    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.857148   24.242677    ( 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  21:15:46  -2.46   +inf  -414.318990    3      1      
iter:   2  21:17:57  -2.91  -2.66  -416.285567    3      1      
iter:   3  21:20:10  -3.33  -1.97  -414.275397    3      1      
iter:   4  21:22:20  -3.85  -2.99  -414.259742    3      1      
iter:   5  21:24:30  -4.24  -3.65  -414.254559    3      1      
iter:   6  21:26:40  -4.26  -3.57  -414.254667    3      1      
iter:   7  21:28:51  -4.71  -3.64  -414.254697    3      1      
iter:   8  21:31:03  -5.02  -3.82  -414.255057    3      1      
iter:   9  21:33:13  -5.45  -4.11  -414.254980    2      1      
iter:  10  21:35:23  -5.67  -3.77  -414.254794    3      1      
iter:  11  21:37:35  -5.63  -4.15  -414.254743    2      1      
iter:  12  21:39:46  -6.25  -4.59  -414.255164    2      1      
iter:  13  21:41:57  -6.65  -4.46  -414.254712    2      1      
iter:  14  21:44:08  -6.91  -4.44  -414.254868    2      1      
iter:  15  21:46:18  -7.00  -4.66  -414.254847    2      1      
iter:  16  21:48:18  -7.37  -4.66  -414.254760    2      1      
iter:  17  21:50:18  -8.04  -4.95  -414.254780    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963226, -32.569717, 0.021708) |e|*Ang

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

Kinetic:        +18.171316
Potential:     -137.168501
External:        +0.000000
XC:            -304.979384
Entropy (-ST):   -1.566196
Local:          +10.504888
--------------------------
Free energy:   -415.037878
Extrapolated:  -414.254780

Fermi level: -6.51632

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58400    0.14734
  0   340     -6.57047    0.14048
  0   341     -6.56967    0.14007
  0   342     -6.54236    0.12550

  1   339     -6.49058    0.19378
  1   340     -6.44229    0.14353
  1   341     -6.40892    0.11318
  1   342     -6.40477    0.10971



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17391
  1 Pt    0.00000   -0.00258   -0.37565
  2 Pt    0.00000   -0.01908   -0.43444
  3 O    -1.68308    0.00024   -0.71855
  4 O     1.68308    0.00024   -0.71855
  5 O     0.00000   -0.01111   -1.38691
  6 O     0.00000   -0.00281    1.76905
  7 Pt   -0.00000    0.01400    0.45271
  8 Pt    0.00000   -0.04141    0.75649
  9 O    -1.58097    0.00052    0.05236
 10 O     1.58097    0.00052    0.05236
 11 O     0.00000   -0.00879   -0.56613
 12 O    -0.00000    0.00894    0.13519
 13 Pt   -0.00000    0.29573   -0.03487
 14 Pt    0.00000   -0.02048    0.00897
 15 O    -0.00043    0.01104    0.00439
 16 O     0.00043    0.01104    0.00439
 17 O    -0.00000    0.01836   -1.10326
 18 O     0.00000    0.00036    0.02706
 19 Pt    0.00000   -0.02511    0.12819
 20 Pt    0.00000   -0.07972    0.16184
 21 O    -0.21315    0.39119    0.22198
 22 O     0.21315    0.39119    0.22198
 23 O     0.00000   -0.01521   -0.08726
 24 O     0.00000   -0.00080    1.14980
 25 Pt   -0.00000    0.01735   -0.37835
 26 Pt    0.00000   -0.00013   -0.43498
 27 O    -1.69160    0.01338   -0.71792
 28 O     1.69160    0.01338   -0.71792
 29 O    -0.00000    0.04487   -1.38946
 30 O     0.00000   -0.00439    1.83475
 31 Pt   -0.00000    0.01914    0.51280
 32 Pt    0.00000   -0.13876    0.58316
 33 O    -1.61361   -0.01903    0.07146
 34 O     1.61361   -0.01903    0.07146
 35 O     0.00000   -0.03251   -0.52501
 36 O    -0.00000    0.22408   -0.12294
 37 Pt    0.00000   -0.32983   -0.04307
 38 Pt    0.00000   -0.00375   -0.01084
 39 O     0.01057    0.01143    0.01686
 40 O    -0.01057    0.01143    0.01686
 41 O    -0.00000    0.00496    0.00025
 42 O    -0.00000    0.03481   -0.01642
 43 Pt    0.00000   -0.00381    0.11246
 44 Pt    0.00000   -0.09378    0.04126
 45 O    -0.21735   -0.40228    0.24911
 46 O     0.21735   -0.40228    0.24911
 47 O     0.00000   -0.02277   -0.05915
 48 O    -0.00000    0.02234    1.17181
 49 Pt    0.00000   -0.02286   -0.37771
 50 Pt   -0.00000    0.02113   -0.43681
 51 O    -1.69098   -0.01394   -0.71804
 52 O     1.69098   -0.01394   -0.71804
 53 O     0.00000   -0.01102   -1.40525
 54 O     0.00000   -0.00205    1.77772
 55 Pt    0.00000   -0.01218    0.51820
 56 Pt   -0.00000    0.12152    0.65738
 57 O    -1.61408    0.01377    0.09199
 58 O     1.61408    0.01377    0.09199
 59 O     0.00000   -0.02131   -0.51639
 60 O     0.00000   -0.21484   -0.11937
 61 Pt   -0.00000    0.01125   -0.09376
 62 Pt   -0.00000    0.01760   -0.00509
 63 O    -0.01510   -0.00811    0.00399
 64 O     0.01510   -0.00811    0.00399
 65 O     0.00000   -0.00037    0.00411
 66 O     0.00000   -0.01271   -0.00496
 67 Pt   -0.00000    0.00564    0.02811
 68 Pt   -0.00000    0.16131    0.01982
 69 O    -0.00997   -0.00376   -0.02555
 70 O     0.00997   -0.00376   -0.02555
 71 O    -0.00000    0.00806   -0.05301
 72 N    -0.00000    0.02953    0.06920
 73 N    -0.00000    0.04002    0.03989

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 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    2.873762   24.669737    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.859049   24.233418    ( 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  21:55:53  -3.73   +inf  -414.257115    3      1      
iter:   2  21:58:04  -4.54  -3.71  -414.253301    3      1      
iter:   3  22:00:17  -4.95  -3.47  -414.254298    3      1      
iter:   4  22:02:28  -5.41  -3.49  -414.254238    2      1      
iter:   5  22:04:38  -5.66  -4.44  -414.253917    2      1      
iter:   6  22:06:48  -5.49  -4.30  -414.253981    2      1      
iter:   7  22:08:58  -5.92  -4.62  -414.254005    2      1      
iter:   8  22:11:09  -6.25  -4.75  -414.254171    2      1      
iter:   9  22:13:19  -6.89  -4.71  -414.253956    2      1      
iter:  10  22:15:29  -7.23  -4.50  -414.253944    2      1      
iter:  11  22:17:41  -7.40  -4.68  -414.254125    2      1      
iter:  12  22:19:55  -7.63  -4.86  -414.254051    2      1      

Converged after 12 iterations.

Dipole moment: (-55.963184, -32.570011, 0.021695) |e|*Ang

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

Kinetic:        +18.288256
Potential:     -137.261295
External:        +0.000000
XC:            -305.002014
Entropy (-ST):   -1.566126
Local:          +10.504065
--------------------------
Free energy:   -415.037114
Extrapolated:  -414.254051

Fermi level: -6.51619

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58394    0.14737
  0   340     -6.57032    0.14047
  0   341     -6.56951    0.14005
  0   342     -6.54218    0.12547

  1   339     -6.49041    0.19373
  1   340     -6.44216    0.14353
  1   341     -6.40868    0.11308
  1   342     -6.40460    0.10968



Forces in eV/Ang:
  0 O     0.00000   -0.01761    1.17480
  1 Pt    0.00000   -0.00256   -0.37566
  2 Pt    0.00000   -0.01910   -0.43378
  3 O    -1.68313    0.00023   -0.71851
  4 O     1.68313    0.00023   -0.71851
  5 O     0.00000   -0.01113   -1.38765
  6 O     0.00000   -0.00282    1.76723
  7 Pt   -0.00000    0.01401    0.45148
  8 Pt    0.00000   -0.04143    0.75577
  9 O    -1.58104    0.00051    0.05110
 10 O     1.58104    0.00051    0.05110
 11 O     0.00000   -0.00883   -0.56683
 12 O    -0.00000    0.00887    0.13437
 13 Pt   -0.00000    0.29496   -0.03659
 14 Pt    0.00000   -0.02052    0.00786
 15 O    -0.00056    0.01115    0.00315
 16 O     0.00056    0.01115    0.00315
 17 O    -0.00000    0.01842   -1.10201
 18 O     0.00000    0.00030    0.02705
 19 Pt    0.00000   -0.02445    0.12714
 20 Pt    0.00000   -0.07926    0.16271
 21 O    -0.21270    0.39112    0.22124
 22 O     0.21270    0.39112    0.22124
 23 O     0.00000   -0.01363   -0.08829
 24 O     0.00000   -0.00078    1.15069
 25 Pt   -0.00000    0.01733   -0.37838
 26 Pt    0.00000   -0.00008   -0.43432
 27 O    -1.69165    0.01337   -0.71789
 28 O     1.69165    0.01337   -0.71789
 29 O    -0.00000    0.04494   -1.39013
 30 O     0.00000   -0.00434    1.83276
 31 Pt   -0.00000    0.01909    0.51159
 32 Pt    0.00000   -0.13884    0.58224
 33 O    -1.61369   -0.01902    0.07024
 34 O     1.61369   -0.01902    0.07024
 35 O     0.00000   -0.03247   -0.52571
 36 O    -0.00000    0.22360   -0.12338
 37 Pt    0.00000   -0.32883   -0.04474
 38 Pt    0.00000   -0.00374   -0.01180
 39 O     0.01050    0.01133    0.01553
 40 O    -0.01050    0.01133    0.01553
 41 O    -0.00000    0.00506   -0.00004
 42 O    -0.00000    0.03494   -0.01666
 43 Pt    0.00000   -0.00440    0.11398
 44 Pt    0.00000   -0.09439    0.04416
 45 O    -0.21812   -0.40207    0.25203
 46 O     0.21812   -0.40207    0.25203
 47 O     0.00000   -0.02387   -0.05891
 48 O    -0.00000    0.02231    1.17271
 49 Pt    0.00000   -0.02286   -0.37772
 50 Pt   -0.00000    0.02110   -0.43617
 51 O    -1.69106   -0.01393   -0.71801
 52 O     1.69106   -0.01393   -0.71801
 53 O     0.00000   -0.01108   -1.40594
 54 O     0.00000   -0.00210    1.77566
 55 Pt    0.00000   -0.01214    0.51687
 56 Pt   -0.00000    0.12161    0.65647
 57 O    -1.61415    0.01378    0.09072
 58 O     1.61415    0.01378    0.09072
 59 O     0.00000   -0.02131   -0.51706
 60 O     0.00000   -0.21431   -0.11997
 61 Pt   -0.00000    0.01098   -0.09480
 62 Pt   -0.00000    0.01765   -0.00614
 63 O    -0.01508   -0.00813    0.00284
 64 O     0.01508   -0.00813    0.00284
 65 O     0.00000   -0.00052    0.00368
 66 O     0.00000   -0.01277   -0.00510
 67 Pt   -0.00000    0.00545    0.02771
 68 Pt   -0.00000    0.16111    0.01863
 69 O    -0.00986   -0.00414   -0.02604
 70 O     0.00986   -0.00414   -0.02604
 71 O    -0.00000    0.00769   -0.05384
 72 N    -0.00000    0.07596    0.13771
 73 N     0.00000   -0.01663   -0.01345

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 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            
          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    2.869931   24.658727    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.865916   24.201526    ( 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  22:28:07  -2.68   +inf  -414.273484    3      1      
iter:   2  22:30:18  -3.33  -3.03  -414.601495    3      1      
iter:   3  22:32:31  -3.73  -2.32  -414.252569    3      1      
iter:   4  22:34:43  -4.24  -3.34  -414.254569    3      1      
iter:   5  22:36:56  -4.63  -3.75  -414.252081    3      1      
iter:   6  22:39:07  -4.46  -3.70  -414.251449    2      1      
iter:   7  22:41:19  -4.78  -3.96  -414.252702    2      1      
iter:   8  22:43:30  -5.02  -4.18  -414.252162    3      1      
iter:   9  22:45:42  -5.71  -4.28  -414.252492    2      1      
iter:  10  22:47:55  -5.81  -3.83  -414.252609    2      1      
iter:  11  22:50:06  -6.11  -4.06  -414.251538    3      1      
iter:  12  22:52:19  -6.22  -4.16  -414.252207    2      1      
iter:  13  22:54:31  -6.63  -4.62  -414.252129    2      1      
iter:  14  22:56:43  -6.58  -4.67  -414.252063    2      1      
iter:  15  22:58:55  -6.84  -4.67  -414.252054    2      1      
iter:  16  23:01:07  -7.23  -4.68  -414.252039    2      1      
iter:  17  23:03:06  -7.51  -4.48  -414.252079    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963202, -32.574436, 0.026427) |e|*Ang

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

Kinetic:        +18.398311
Potential:     -137.317236
External:        +0.000000
XC:            -305.054070
Entropy (-ST):   -1.566032
Local:          +10.503932
--------------------------
Free energy:   -415.035095
Extrapolated:  -414.252079

Fermi level: -6.51230

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58028    0.14749
  0   340     -6.56644    0.14048
  0   341     -6.56559    0.14004
  0   342     -6.53818    0.12541

  1   339     -6.48654    0.19376
  1   340     -6.43827    0.14353
  1   341     -6.40443    0.11278
  1   342     -6.40062    0.10960



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17472
  1 Pt    0.00000   -0.00251   -0.37579
  2 Pt    0.00000   -0.01912   -0.43350
  3 O    -1.68337    0.00019   -0.71829
  4 O     1.68337    0.00019   -0.71829
  5 O     0.00000   -0.01109   -1.38718
  6 O     0.00000   -0.00270    1.76686
  7 Pt   -0.00000    0.01398    0.45107
  8 Pt    0.00000   -0.04129    0.75528
  9 O    -1.58088    0.00055    0.05110
 10 O     1.58088    0.00055    0.05110
 11 O     0.00000   -0.00878   -0.56705
 12 O    -0.00000    0.00878    0.13356
 13 Pt   -0.00000    0.29262   -0.03667
 14 Pt    0.00000   -0.02084    0.00721
 15 O    -0.00033    0.01078    0.00271
 16 O     0.00033    0.01078    0.00271
 17 O    -0.00000    0.01856   -1.08804
 18 O     0.00000    0.00000    0.02663
 19 Pt    0.00000   -0.02451    0.12844
 20 Pt    0.00000   -0.07846    0.17530
 21 O    -0.21202    0.38998    0.22205
 22 O     0.21202    0.38998    0.22205
 23 O     0.00000   -0.01173   -0.08462
 24 O     0.00000   -0.00075    1.15059
 25 Pt   -0.00000    0.01727   -0.37842
 26 Pt    0.00000   -0.00008   -0.43410
 27 O    -1.69186    0.01340   -0.71766
 28 O     1.69186    0.01340   -0.71766
 29 O    -0.00000    0.04497   -1.38953
 30 O     0.00000   -0.00466    1.83232
 31 Pt   -0.00000    0.01911    0.51104
 32 Pt    0.00000   -0.13944    0.58152
 33 O    -1.61359   -0.01902    0.07016
 34 O     1.61359   -0.01902    0.07016
 35 O     0.00000   -0.03254   -0.52573
 36 O    -0.00000    0.22234   -0.12323
 37 Pt    0.00000   -0.32645   -0.04476
 38 Pt    0.00000   -0.00300   -0.01206
 39 O     0.01079    0.01157    0.01498
 40 O    -0.01079    0.01157    0.01498
 41 O    -0.00000    0.00548   -0.00131
 42 O    -0.00000    0.03485   -0.01673
 43 Pt    0.00000   -0.00444    0.11920
 44 Pt    0.00000   -0.09667    0.05373
 45 O    -0.21850   -0.40034    0.25620
 46 O     0.21850   -0.40034    0.25620
 47 O     0.00000   -0.02586   -0.05542
 48 O    -0.00000    0.02230    1.17259
 49 Pt    0.00000   -0.02286   -0.37794
 50 Pt   -0.00000    0.02111   -0.43601
 51 O    -1.69130   -0.01391   -0.71780
 52 O     1.69130   -0.01391   -0.71780
 53 O     0.00000   -0.01115   -1.40547
 54 O     0.00000   -0.00189    1.77511
 55 Pt    0.00000   -0.01214    0.51670
 56 Pt   -0.00000    0.12207    0.65603
 57 O    -1.61394    0.01372    0.09087
 58 O     1.61394    0.01372    0.09087
 59 O     0.00000   -0.02128   -0.51691
 60 O     0.00000   -0.21298   -0.11964
 61 Pt   -0.00000    0.01090   -0.09474
 62 Pt   -0.00000    0.01720   -0.00634
 63 O    -0.01517   -0.00797    0.00253
 64 O     0.01517   -0.00797    0.00253
 65 O     0.00000   -0.00089    0.00187
 66 O     0.00000   -0.01239   -0.00534
 67 Pt   -0.00000    0.00532    0.02895
 68 Pt   -0.00000    0.16228    0.02148
 69 O    -0.00879   -0.00453   -0.02474
 70 O     0.00879   -0.00453   -0.02474
 71 O    -0.00000    0.00794   -0.05189
 72 N    -0.00000    0.22611    0.23869
 73 N     0.00000   -0.18427   -0.08060

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 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    2.871879   24.672787    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.864051   24.224635    ( 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  23:10:31  -2.91   +inf  -414.254157    3      1      
iter:   2  23:12:43  -3.83  -3.72  -414.259334    2      1      
iter:   3  23:14:56  -4.37  -3.24  -414.256324    2      1      
iter:   4  23:17:09  -4.77  -3.60  -414.253292    3      1      
iter:   5  23:19:21  -4.79  -3.77  -414.255058    3      1      
iter:   6  23:21:35  -4.95  -3.98  -414.254111    3      1      
iter:   7  23:23:47  -5.44  -4.25  -414.254324    2      1      
iter:   8  23:25:59  -5.79  -4.39  -414.254241    3      1      
iter:   9  23:28:12  -5.96  -4.31  -414.254109    2      1      
iter:  10  23:30:23  -6.46  -4.67  -414.254151    2      1      
iter:  11  23:32:35  -7.06  -4.53  -414.254091    2      1      
iter:  12  23:34:33  -7.10  -4.72  -414.254151    2      1      
iter:  13  23:36:31  -7.44  -4.80  -414.254197    2      1      

Converged after 13 iterations.

Dipole moment: (-55.963192, -32.572043, 0.023975) |e|*Ang

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

Kinetic:        +18.504298
Potential:     -137.426028
External:        +0.000000
XC:            -305.054582
Entropy (-ST):   -1.566009
Local:          +10.505120
--------------------------
Free energy:   -415.037202
Extrapolated:  -414.254197

Fermi level: -6.51446

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58226    0.14740
  0   340     -6.56863    0.14049
  0   341     -6.56782    0.14007
  0   342     -6.54040    0.12544

  1   339     -6.48869    0.19374
  1   340     -6.44046    0.14356
  1   341     -6.40685    0.11299
  1   342     -6.40282    0.10963



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17428
  1 Pt    0.00000   -0.00243   -0.37624
  2 Pt    0.00000   -0.01904   -0.43490
  3 O    -1.68300    0.00023   -0.71893
  4 O     1.68300    0.00023   -0.71893
  5 O     0.00000   -0.01117   -1.38770
  6 O     0.00000   -0.00283    1.76726
  7 Pt   -0.00000    0.01410    0.45093
  8 Pt    0.00000   -0.04143    0.75514
  9 O    -1.58090    0.00059    0.05082
 10 O     1.58090    0.00059    0.05082
 11 O     0.00000   -0.00883   -0.56704
 12 O    -0.00000    0.00902    0.13390
 13 Pt   -0.00000    0.29389   -0.03553
 14 Pt    0.00000   -0.02040    0.00843
 15 O    -0.00034    0.01110    0.00335
 16 O     0.00034    0.01110    0.00335
 17 O    -0.00000    0.01851   -1.09535
 18 O    -0.00000    0.00058    0.02636
 19 Pt    0.00000   -0.02508    0.12737
 20 Pt    0.00000   -0.08016    0.16004
 21 O    -0.21278    0.39040    0.22062
 22 O     0.21278    0.39040    0.22062
 23 O     0.00000   -0.01497   -0.08649
 24 O     0.00000   -0.00082    1.15016
 25 Pt   -0.00000    0.01728   -0.37896
 26 Pt    0.00000   -0.00014   -0.43548
 27 O    -1.69154    0.01339   -0.71830
 28 O     1.69154    0.01339   -0.71830
 29 O    -0.00000    0.04505   -1.39024
 30 O     0.00000   -0.00440    1.83255
 31 Pt   -0.00000    0.01904    0.51102
 32 Pt    0.00000   -0.13899    0.58169
 33 O    -1.61353   -0.01906    0.06994
 34 O     1.61353   -0.01906    0.06994
 35 O     0.00000   -0.03248   -0.52582
 36 O    -0.00000    0.22338   -0.12365
 37 Pt    0.00000   -0.32798   -0.04366
 38 Pt    0.00000   -0.00371   -0.01126
 39 O     0.01056    0.01138    0.01588
 40 O    -0.01056    0.01138    0.01588
 41 O    -0.00000    0.00495    0.00035
 42 O    -0.00000    0.03469   -0.01713
 43 Pt    0.00000   -0.00418    0.11172
 44 Pt    0.00000   -0.09350    0.04132
 45 O    -0.21724   -0.40131    0.24770
 46 O     0.21724   -0.40131    0.24770
 47 O     0.00000   -0.02285   -0.05794
 48 O    -0.00000    0.02231    1.17215
 49 Pt    0.00000   -0.02294   -0.37836
 50 Pt   -0.00000    0.02110   -0.43728
 51 O    -1.69095   -0.01395   -0.71843
 52 O     1.69095   -0.01395   -0.71843
 53 O     0.00000   -0.01113   -1.40596
 54 O     0.00000   -0.00200    1.77565
 55 Pt    0.00000   -0.01220    0.51643
 56 Pt   -0.00000    0.12176    0.65587
 57 O    -1.61397    0.01374    0.09051
 58 O     1.61397    0.01374    0.09051
 59 O     0.00000   -0.02130   -0.51733
 60 O     0.00000   -0.21428   -0.12001
 61 Pt   -0.00000    0.01127   -0.09415
 62 Pt   -0.00000    0.01746   -0.00546
 63 O    -0.01495   -0.00810    0.00287
 64 O     0.01495   -0.00810    0.00287
 65 O     0.00000   -0.00053    0.00424
 66 O     0.00000   -0.01276   -0.00552
 67 Pt   -0.00000    0.00590    0.02795
 68 Pt   -0.00000    0.16125    0.01926
 69 O    -0.00998   -0.00377   -0.02632
 70 O     0.00998   -0.00377   -0.02632
 71 O    -0.00000    0.00793   -0.05231
 72 N    -0.00000    0.27495    0.20803
 73 N     0.00000   -0.24163   -0.10885

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 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    2.875847   24.698026    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.861573   24.261907    ( 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  23:44:07  -2.47   +inf  -414.264445    3      1      
iter:   2  23:46:20  -3.32  -3.08  -414.536905    3      1      
iter:   3  23:48:32  -3.79  -2.38  -414.263974    3      1      
iter:   4  23:50:44  -4.32  -3.56  -414.259210    3      1      
iter:   5  23:52:56  -4.39  -3.58  -414.259610    3      1      
iter:   6  23:55:08  -4.46  -3.59  -414.258805    3      1      
iter:   7  23:57:21  -5.11  -4.05  -414.258112    2      1      
iter:   8  23:59:32  -5.13  -4.14  -414.258243    3      1      
iter:   9  00:01:44  -5.26  -4.24  -414.257967    2      1      
iter:  10  00:03:56  -5.88  -4.47  -414.258150    2      1      
iter:  11  00:06:09  -6.42  -4.68  -414.257961    2      1      
iter:  12  00:08:21  -6.66  -4.44  -414.258520    2      1      
iter:  13  00:10:34  -6.73  -4.28  -414.258292    2      1      
iter:  14  00:12:47  -7.04  -4.45  -414.258051    2      1      
iter:  15  00:14:59  -7.36  -4.81  -414.258196    2      1      
iter:  16  00:17:11  -7.62  -4.96  -414.258176    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963227, -32.567700, 0.018978) |e|*Ang

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

Kinetic:        +18.324306
Potential:     -137.303410
External:        +0.000000
XC:            -305.001656
Entropy (-ST):   -1.566197
Local:          +10.505683
--------------------------
Free energy:   -415.041274
Extrapolated:  -414.258176

Fermi level: -6.51862

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58627    0.14732
  0   340     -6.57273    0.14046
  0   341     -6.57193    0.14005
  0   342     -6.54475    0.12554

  1   339     -6.49283    0.19373
  1   340     -6.44457    0.14350
  1   341     -6.41139    0.11332
  1   342     -6.40708    0.10972



Forces in eV/Ang:
  0 O     0.00000   -0.01756    1.17426
  1 Pt    0.00000   -0.00260   -0.37610
  2 Pt    0.00000   -0.01902   -0.43459
  3 O    -1.68294    0.00030   -0.71861
  4 O     1.68294    0.00030   -0.71861
  5 O     0.00000   -0.01108   -1.38746
  6 O     0.00000   -0.00283    1.76716
  7 Pt   -0.00000    0.01391    0.45149
  8 Pt    0.00000   -0.04152    0.75588
  9 O    -1.58099    0.00044    0.05136
 10 O     1.58099    0.00044    0.05136
 11 O     0.00000   -0.00884   -0.56702
 12 O    -0.00000    0.00887    0.13490
 13 Pt   -0.00000    0.29658   -0.03594
 14 Pt    0.00000   -0.02052    0.00849
 15 O    -0.00022    0.01101    0.00372
 16 O     0.00022    0.01101    0.00372
 17 O    -0.00000    0.01788   -1.10873
 18 O     0.00000    0.00026    0.02703
 19 Pt    0.00000   -0.02466    0.12852
 20 Pt    0.00000   -0.07775    0.16150
 21 O    -0.21364    0.39261    0.22231
 22 O     0.21364    0.39261    0.22231
 23 O     0.00000   -0.01503   -0.08735
 24 O     0.00000   -0.00085    1.15015
 25 Pt   -0.00000    0.01738   -0.37882
 26 Pt    0.00000   -0.00022   -0.43506
 27 O    -1.69149    0.01334   -0.71800
 28 O     1.69149    0.01334   -0.71800
 29 O    -0.00000    0.04481   -1.39007
 30 O     0.00000   -0.00430    1.83307
 31 Pt   -0.00000    0.01916    0.51149
 32 Pt    0.00000   -0.13846    0.58268
 33 O    -1.61355   -0.01901    0.07045
 34 O     1.61355   -0.01901    0.07045
 35 O     0.00000   -0.03242   -0.52589
 36 O    -0.00000    0.22466   -0.12383
 37 Pt    0.00000   -0.33055   -0.04418
 38 Pt    0.00000   -0.00374   -0.01141
 39 O     0.01078    0.01144    0.01621
 40 O    -0.01078    0.01144    0.01621
 41 O    -0.00000    0.00494   -0.00028
 42 O    -0.00000    0.03511   -0.01668
 43 Pt    0.00000   -0.00422    0.11332
 44 Pt    0.00000   -0.09372    0.04120
 45 O    -0.21836   -0.40388    0.25096
 46 O     0.21836   -0.40388    0.25096
 47 O     0.00000   -0.02285   -0.05916
 48 O    -0.00000    0.02233    1.17214
 49 Pt    0.00000   -0.02288   -0.37816
 50 Pt   -0.00000    0.02115   -0.43686
 51 O    -1.69082   -0.01397   -0.71809
 52 O     1.69082   -0.01397   -0.71809
 53 O     0.00000   -0.01098   -1.40578
 54 O     0.00000   -0.00212    1.77636
 55 Pt    0.00000   -0.01211    0.51699
 56 Pt   -0.00000    0.12132    0.65688
 57 O    -1.61410    0.01384    0.09095
 58 O     1.61410    0.01384    0.09095
 59 O     0.00000   -0.02135   -0.51726
 60 O     0.00000   -0.21540   -0.12018
 61 Pt   -0.00000    0.01130   -0.09495
 62 Pt   -0.00000    0.01764   -0.00579
 63 O    -0.01494   -0.00807    0.00327
 64 O     0.01494   -0.00807    0.00327
 65 O     0.00000   -0.00021    0.00349
 66 O     0.00000   -0.01282   -0.00541
 67 Pt   -0.00000    0.00558    0.02782
 68 Pt   -0.00000    0.16114    0.01935
 69 O    -0.00990   -0.00389   -0.02661
 70 O     0.00990   -0.00389   -0.02661
 71 O    -0.00000    0.00804   -0.05330
 72 N    -0.00000    0.15128    0.25949
 73 N     0.00000   -0.15761   -0.04118

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 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    2.878391   24.726440    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.860567   24.300900    ( 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  00:24:13  -2.40   +inf  -414.269830    3      1      
iter:   2  00:26:23  -3.34  -3.38  -414.264356    3      1      
iter:   3  00:28:32  -3.93  -3.16  -414.273417    3      1      
iter:   4  00:30:39  -4.44  -3.08  -414.266102    3      1      
iter:   5  00:32:47  -4.30  -3.65  -414.262317    3      1      
iter:   6  00:34:54  -4.42  -3.56  -414.262002    3      1      
iter:   7  00:37:03  -4.99  -4.06  -414.262200    3      1      
iter:   8  00:39:13  -5.24  -4.24  -414.262401    3      1      
iter:   9  00:41:25  -5.61  -4.08  -414.262270    2      1      
iter:  10  00:43:38  -5.94  -4.08  -414.261916    2      1      
iter:  11  00:45:51  -6.45  -4.47  -414.262242    2      1      
iter:  12  00:48:03  -6.64  -4.47  -414.261807    2      1      
iter:  13  00:50:02  -6.85  -4.52  -414.261994    2      1      
iter:  14  00:52:01  -6.94  -4.75  -414.261931    2      1      
iter:  15  00:54:00  -7.09  -4.67  -414.261919    2      1      
iter:  16  00:55:58  -7.54  -4.48  -414.261975    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963318, -32.562753, 0.012653) |e|*Ang

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

Kinetic:        +18.375249
Potential:     -137.348799
External:        +0.000000
XC:            -305.009035
Entropy (-ST):   -1.566139
Local:          +10.503680
--------------------------
Free energy:   -415.045044
Extrapolated:  -414.261975

Fermi level: -6.52420

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59169    0.14725
  0   340     -6.57821    0.14041
  0   341     -6.57743    0.14000
  0   342     -6.55047    0.12562

  1   339     -6.49825    0.19355
  1   340     -6.45011    0.14347
  1   341     -6.41728    0.11358
  1   342     -6.41268    0.10973



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17425
  1 Pt    0.00000   -0.00262   -0.37682
  2 Pt    0.00000   -0.01907   -0.43520
  3 O    -1.68357    0.00025   -0.71875
  4 O     1.68357    0.00025   -0.71875
  5 O     0.00000   -0.01110   -1.38729
  6 O     0.00000   -0.00284    1.76510
  7 Pt   -0.00000    0.01395    0.45067
  8 Pt    0.00000   -0.04153    0.75516
  9 O    -1.58080    0.00053    0.05095
 10 O     1.58080    0.00053    0.05095
 11 O     0.00000   -0.00881   -0.56711
 12 O    -0.00000    0.00890    0.13477
 13 Pt   -0.00000    0.29906   -0.03669
 14 Pt    0.00000   -0.02049    0.00782
 15 O    -0.00010    0.01105    0.00309
 16 O     0.00010    0.01105    0.00309
 17 O    -0.00000    0.01711   -1.11807
 18 O     0.00000    0.00021    0.02693
 19 Pt    0.00000   -0.02411    0.13337
 20 Pt    0.00000   -0.07398    0.17054
 21 O    -0.21425    0.39484    0.22603
 22 O     0.21425    0.39484    0.22603
 23 O     0.00000   -0.01420   -0.08580
 24 O     0.00000   -0.00080    1.15013
 25 Pt   -0.00000    0.01742   -0.37954
 26 Pt    0.00000   -0.00013   -0.43580
 27 O    -1.69210    0.01337   -0.71813
 28 O     1.69210    0.01337   -0.71813
 29 O    -0.00000    0.04475   -1.39007
 30 O     0.00000   -0.00437    1.83075
 31 Pt   -0.00000    0.01914    0.51084
 32 Pt    0.00000   -0.13823    0.58249
 33 O    -1.61339   -0.01904    0.07009
 34 O     1.61339   -0.01904    0.07009
 35 O     0.00000   -0.03249   -0.52594
 36 O    -0.00000    0.22575   -0.12479
 37 Pt    0.00000   -0.33285   -0.04527
 38 Pt    0.00000   -0.00365   -0.01200
 39 O     0.01090    0.01143    0.01545
 40 O    -0.01090    0.01143    0.01545
 41 O    -0.00000    0.00523   -0.00003
 42 O    -0.00000    0.03551   -0.01715
 43 Pt    0.00000   -0.00476    0.12025
 44 Pt    0.00000   -0.09491    0.04782
 45 O    -0.22016   -0.40671    0.25763
 46 O     0.22016   -0.40671    0.25763
 47 O     0.00000   -0.02380   -0.05805
 48 O    -0.00000    0.02233    1.17215
 49 Pt    0.00000   -0.02289   -0.37890
 50 Pt   -0.00000    0.02111   -0.43761
 51 O    -1.69150   -0.01394   -0.71824
 52 O     1.69150   -0.01394   -0.71824
 53 O     0.00000   -0.01089   -1.40576
 54 O     0.00000   -0.00204    1.77387
 55 Pt    0.00000   -0.01214    0.51618
 56 Pt   -0.00000    0.12106    0.65656
 57 O    -1.61393    0.01378    0.09051
 58 O     1.61393    0.01378    0.09051
 59 O     0.00000   -0.02130   -0.51740
 60 O     0.00000   -0.21654   -0.12096
 61 Pt   -0.00000    0.01127   -0.09602
 62 Pt   -0.00000    0.01752   -0.00623
 63 O    -0.01481   -0.00811    0.00269
 64 O     0.01481   -0.00811    0.00269
 65 O     0.00000   -0.00020    0.00330
 66 O     0.00000   -0.01317   -0.00579
 67 Pt   -0.00000    0.00557    0.03050
 68 Pt   -0.00000    0.16074    0.02327
 69 O    -0.00978   -0.00399   -0.02531
 70 O     0.00978   -0.00399   -0.02531
 71 O    -0.00000    0.00823   -0.05269
 72 N    -0.00000    0.18693    0.22647
 73 N     0.00000   -0.26839    0.02748

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 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    2.882670   24.752327    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.857505   24.340783    ( 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  01:01:43  -2.40   +inf  -414.264987    2      1      
iter:   2  01:03:56  -3.33  -3.41  -414.283085    3      1      
iter:   3  01:06:09  -3.90  -3.13  -414.274769    3      1      
iter:   4  01:08:22  -4.38  -3.19  -414.268778    3      1      
iter:   5  01:10:35  -4.29  -3.48  -414.267301    2      1      
iter:   6  01:12:48  -4.39  -3.99  -414.266640    3      1      
iter:   7  01:15:00  -4.96  -4.19  -414.266629    2      1      
iter:   8  01:17:13  -5.22  -4.22  -414.265130    3      1      
iter:   9  01:19:25  -5.65  -4.02  -414.266661    3      1      
iter:  10  01:21:38  -5.91  -4.14  -414.266626    2      1      
iter:  11  01:23:51  -6.20  -3.89  -414.266113    2      1      
iter:  12  01:26:04  -6.71  -4.56  -414.266196    2      1      
iter:  13  01:28:15  -6.71  -4.68  -414.266235    2      1      
iter:  14  01:30:27  -6.68  -4.69  -414.266398    2      1      
iter:  15  01:32:39  -7.14  -4.66  -414.266024    2      1      
iter:  16  01:34:51  -7.36  -4.62  -414.266234    2      1      
iter:  17  01:36:50  -7.54  -4.57  -414.266340    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963314, -32.560126, 0.010663) |e|*Ang

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

Kinetic:        +18.153365
Potential:     -137.192928
External:        +0.000000
XC:            -304.946763
Entropy (-ST):   -1.566125
Local:          +10.503049
--------------------------
Free energy:   -415.049403
Extrapolated:  -414.266340

Fermi level: -6.52623

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59383    0.14729
  0   340     -6.58006    0.14031
  0   341     -6.57925    0.13989
  0   342     -6.55273    0.12574

  1   339     -6.50006    0.19330
  1   340     -6.45200    0.14333
  1   341     -6.41969    0.11389
  1   342     -6.41478    0.10979



Forces in eV/Ang:
  0 O     0.00000   -0.01759    1.17483
  1 Pt    0.00000   -0.00268   -0.37694
  2 Pt    0.00000   -0.01903   -0.43503
  3 O    -1.68492    0.00029   -0.71849
  4 O     1.68492    0.00029   -0.71849
  5 O     0.00000   -0.01110   -1.38697
  6 O     0.00000   -0.00292    1.76048
  7 Pt   -0.00000    0.01388    0.44921
  8 Pt    0.00000   -0.04169    0.75402
  9 O    -1.58094    0.00044    0.05073
 10 O     1.58094    0.00044    0.05073
 11 O     0.00000   -0.00886   -0.56748
 12 O    -0.00000    0.00885    0.13531
 13 Pt   -0.00000    0.30157   -0.03721
 14 Pt    0.00000   -0.02034    0.00834
 15 O     0.00032    0.01112    0.00334
 16 O    -0.00032    0.01112    0.00334
 17 O    -0.00000    0.01660   -1.13176
 18 O     0.00000    0.00039    0.02782
 19 Pt    0.00000   -0.02399    0.13155
 20 Pt    0.00000   -0.07165    0.17074
 21 O    -0.21464    0.39616    0.22511
 22 O     0.21464    0.39616    0.22511
 23 O     0.00000   -0.01491   -0.08781
 24 O     0.00000   -0.00084    1.15073
 25 Pt   -0.00000    0.01748   -0.37972
 26 Pt    0.00000   -0.00018   -0.43558
 27 O    -1.69347    0.01334   -0.71788
 28 O     1.69347    0.01334   -0.71788
 29 O    -0.00000    0.04465   -1.38988
 30 O     0.00000   -0.00423    1.82638
 31 Pt   -0.00000    0.01919    0.50937
 32 Pt    0.00000   -0.13771    0.58164
 33 O    -1.61344   -0.01902    0.06987
 34 O     1.61344   -0.01902    0.06987
 35 O     0.00000   -0.03242   -0.52644
 36 O    -0.00000    0.22696   -0.12517
 37 Pt    0.00000   -0.33519   -0.04581
 38 Pt    0.00000   -0.00395   -0.01165
 39 O     0.01131    0.01144    0.01573
 40 O    -0.01131    0.01144    0.01573
 41 O    -0.00000    0.00504   -0.00263
 42 O    -0.00000    0.03564   -0.01654
 43 Pt    0.00000   -0.00476    0.11783
 44 Pt    0.00000   -0.09456    0.04321
 45 O    -0.22038   -0.40842    0.25644
 46 O     0.22038   -0.40842    0.25644
 47 O     0.00000   -0.02308   -0.06045
 48 O    -0.00000    0.02234    1.17272
 49 Pt    0.00000   -0.02289   -0.37898
 50 Pt   -0.00000    0.02113   -0.43734
 51 O    -1.69282   -0.01395   -0.71797
 52 O     1.69282   -0.01395   -0.71797
 53 O     0.00000   -0.01080   -1.40546
 54 O     0.00000   -0.00210    1.76972
 55 Pt    0.00000   -0.01212    0.51467
 56 Pt   -0.00000    0.12069    0.65560
 57 O    -1.61412    0.01386    0.09022
 58 O     1.61412    0.01386    0.09022
 59 O     0.00000   -0.02133   -0.51790
 60 O     0.00000   -0.21773   -0.12148
 61 Pt   -0.00000    0.01125   -0.09692
 62 Pt   -0.00000    0.01765   -0.00606
 63 O    -0.01439   -0.00819    0.00284
 64 O     0.01439   -0.00819    0.00284
 65 O     0.00000    0.00014    0.00078
 66 O     0.00000   -0.01347   -0.00513
 67 Pt   -0.00000    0.00554    0.02806
 68 Pt   -0.00000    0.15987    0.01966
 69 O    -0.00976   -0.00388   -0.02722
 70 O     0.00976   -0.00388   -0.02722
 71 O    -0.00000    0.00811   -0.05465
 72 N     0.00000   -0.00550    0.14476
 73 N     0.00000   -0.07753    0.11320

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 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    2.886774   24.778231    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.855358   24.380725    ( 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  01:41:28  -2.41   +inf  -414.330220    3      1      
iter:   2  01:43:39  -2.93  -2.70  -415.999724    3      1      
iter:   3  01:45:51  -3.32  -1.99  -414.280774    3      1      
iter:   4  01:48:03  -3.93  -3.36  -414.272862    3      1      
iter:   5  01:50:15  -4.37  -3.61  -414.275663    3      1      
iter:   6  01:52:27  -4.30  -3.59  -414.269111    3      1      
iter:   7  01:54:40  -4.77  -3.77  -414.269554    3      1      
iter:   8  01:56:53  -5.02  -4.00  -414.270261    3      1      
iter:   9  01:59:05  -5.27  -4.31  -414.270089    3      1      
iter:  10  02:01:18  -5.71  -3.93  -414.271175    2      1      
iter:  11  02:03:31  -5.88  -3.96  -414.269816    3      1      
iter:  12  02:05:44  -6.37  -4.23  -414.270219    2      1      
iter:  13  02:07:58  -6.74  -4.60  -414.270196    2      1      
iter:  14  02:09:56  -6.82  -4.60  -414.270186    2      1      
iter:  15  02:11:54  -6.95  -4.78  -414.270154    2      1      
iter:  16  02:13:52  -7.44  -4.95  -414.270103    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963372, -32.556734, 0.005942) |e|*Ang

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

Kinetic:        +17.993009
Potential:     -137.072608
External:        +0.000000
XC:            -304.908110
Entropy (-ST):   -1.566354
Local:          +10.500782
--------------------------
Free energy:   -415.053280
Extrapolated:  -414.270103

Fermi level: -6.52946

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59660    0.14707
  0   340     -6.58349    0.14042
  0   341     -6.58277    0.14004
  0   342     -6.55606    0.12580

  1   339     -6.50354    0.19358
  1   340     -6.45536    0.14346
  1   341     -6.42329    0.11421
  1   342     -6.41804    0.10981



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17456
  1 Pt    0.00000   -0.00270   -0.37586
  2 Pt    0.00000   -0.01907   -0.43409
  3 O    -1.68320    0.00025   -0.71876
  4 O     1.68320    0.00025   -0.71876
  5 O     0.00000   -0.01108   -1.38741
  6 O     0.00000   -0.00284    1.76718
  7 Pt   -0.00000    0.01392    0.45052
  8 Pt    0.00000   -0.04159    0.75488
  9 O    -1.58104    0.00055    0.04988
 10 O     1.58104    0.00055    0.04988
 11 O     0.00000   -0.00880   -0.56798
 12 O    -0.00000    0.00899    0.13479
 13 Pt   -0.00000    0.30354   -0.03677
 14 Pt    0.00000   -0.02041    0.00814
 15 O    -0.00027    0.01104    0.00244
 16 O     0.00027    0.01104    0.00244
 17 O    -0.00000    0.01586   -1.13523
 18 O     0.00000    0.00036    0.02666
 19 Pt    0.00000   -0.02429    0.13424
 20 Pt    0.00000   -0.06906    0.17593
 21 O    -0.21600    0.39802    0.22707
 22 O     0.21600    0.39802    0.22707
 23 O     0.00000   -0.01513   -0.08709
 24 O     0.00000   -0.00080    1.15042
 25 Pt   -0.00000    0.01751   -0.37858
 26 Pt    0.00000   -0.00014   -0.43472
 27 O    -1.69173    0.01335   -0.71816
 28 O     1.69173    0.01335   -0.71816
 29 O    -0.00000    0.04456   -1.39041
 30 O     0.00000   -0.00437    1.83303
 31 Pt   -0.00000    0.01920    0.51068
 32 Pt    0.00000   -0.13762    0.58299
 33 O    -1.61361   -0.01905    0.06901
 34 O     1.61361   -0.01905    0.06901
 35 O     0.00000   -0.03252   -0.52685
 36 O    -0.00000    0.22755   -0.12616
 37 Pt    0.00000   -0.33731   -0.04579
 38 Pt    0.00000   -0.00373   -0.01183
 39 O     0.01074    0.01147    0.01483
 40 O    -0.01074    0.01147    0.01483
 41 O    -0.00000    0.00547    0.00012
 42 O    -0.00000    0.03564   -0.01765
 43 Pt    0.00000   -0.00451    0.12079
 44 Pt    0.00000   -0.09552    0.04422
 45 O    -0.22220   -0.41085    0.25807
 46 O     0.22220   -0.41085    0.25807
 47 O     0.00000   -0.02310   -0.06053
 48 O    -0.00000    0.02235    1.17243
 49 Pt    0.00000   -0.02291   -0.37796
 50 Pt   -0.00000    0.02112   -0.43656
 51 O    -1.69112   -0.01392   -0.71826
 52 O     1.69112   -0.01392   -0.71826
 53 O     0.00000   -0.01071   -1.40596
 54 O     0.00000   -0.00204    1.77613
 55 Pt    0.00000   -0.01217    0.51604
 56 Pt   -0.00000    0.12049    0.65685
 57 O    -1.61422    0.01379    0.08933
 58 O     1.61422    0.01379    0.08933
 59 O     0.00000   -0.02129   -0.51835
 60 O     0.00000   -0.21843   -0.12210
 61 Pt   -0.00000    0.01154   -0.09738
 62 Pt   -0.00000    0.01751   -0.00589
 63 O    -0.01509   -0.00815    0.00201
 64 O     0.01509   -0.00815    0.00201
 65 O     0.00000    0.00012    0.00343
 66 O     0.00000   -0.01341   -0.00630
 67 Pt   -0.00000    0.00561    0.02930
 68 Pt   -0.00000    0.15981    0.02162
 69 O    -0.01008   -0.00374   -0.02653
 70 O     0.01008   -0.00374   -0.02653
 71 O    -0.00000    0.00827   -0.05445
 72 N     0.00000   -0.05545    0.10436
 73 N    -0.00000    0.08484    0.07793

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 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    2.890477   24.806455    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.855305   24.420725    ( 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  02:18:33  -2.39   +inf  -414.280835    3      1      
iter:   2  02:20:46  -3.33  -3.37  -414.272998    3      1      
iter:   3  02:22:58  -3.92  -3.28  -414.277751    3      1      
iter:   4  02:25:10  -4.40  -3.39  -414.282165    2      1      
iter:   5  02:27:23  -4.20  -3.20  -414.273351    3      1      
iter:   6  02:29:36  -4.43  -3.53  -414.273070    3      1      
iter:   7  02:31:49  -4.99  -4.12  -414.273221    3      1      
iter:   8  02:34:02  -5.25  -4.20  -414.273445    3      1      
iter:   9  02:36:15  -5.52  -4.11  -414.272826    3      1      
iter:  10  02:38:28  -6.04  -4.55  -414.273111    2      1      
iter:  11  02:40:40  -6.63  -4.34  -414.273110    2      1      
iter:  12  02:42:53  -6.67  -4.46  -414.272638    2      1      
iter:  13  02:45:05  -6.94  -4.43  -414.272880    2      1      
iter:  14  02:47:16  -7.02  -4.62  -414.272834    2      1      
iter:  15  02:49:16  -7.25  -4.79  -414.273061    2      1      
iter:  16  02:51:14  -7.77  -4.63  -414.272878    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963446, -32.553241, 0.001739) |e|*Ang

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

Kinetic:        +18.011047
Potential:     -137.090768
External:        +0.000000
XC:            -304.910975
Entropy (-ST):   -1.566398
Local:          +10.501017
--------------------------
Free energy:   -415.056077
Extrapolated:  -414.272878

Fermi level: -6.53339

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60051    0.14706
  0   340     -6.58727    0.14034
  0   341     -6.58654    0.13996
  0   342     -6.56015    0.12589

  1   339     -6.50733    0.19344
  1   340     -6.45920    0.14337
  1   341     -6.42749    0.11445
  1   342     -6.42196    0.10981



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17425
  1 Pt    0.00000   -0.00273   -0.37691
  2 Pt    0.00000   -0.01906   -0.43526
  3 O    -1.68349    0.00025   -0.71879
  4 O     1.68349    0.00025   -0.71879
  5 O     0.00000   -0.01106   -1.38698
  6 O     0.00000   -0.00286    1.76494
  7 Pt   -0.00000    0.01391    0.45067
  8 Pt    0.00000   -0.04164    0.75497
  9 O    -1.58094    0.00053    0.05095
 10 O     1.58094    0.00053    0.05095
 11 O     0.00000   -0.00883   -0.56757
 12 O    -0.00000    0.00891    0.13531
 13 Pt   -0.00000    0.30538   -0.03735
 14 Pt    0.00000   -0.02040    0.00748
 15 O    -0.00019    0.01108    0.00283
 16 O     0.00019    0.01108    0.00283
 17 O    -0.00000    0.01526   -1.14423
 18 O     0.00000    0.00031    0.02709
 19 Pt    0.00000   -0.02358    0.13784
 20 Pt    0.00000   -0.06605    0.18368
 21 O    -0.21592    0.39963    0.23027
 22 O     0.21592    0.39963    0.23027
 23 O     0.00000   -0.01453   -0.08576
 24 O     0.00000   -0.00079    1.15010
 25 Pt   -0.00000    0.01754   -0.37962
 26 Pt    0.00000   -0.00013   -0.43594
 27 O    -1.69202    0.01336   -0.71819
 28 O     1.69202    0.01336   -0.71819
 29 O    -0.00000    0.04446   -1.39006
 30 O     0.00000   -0.00434    1.83076
 31 Pt   -0.00000    0.01919    0.51080
 32 Pt    0.00000   -0.13735    0.58342
 33 O    -1.61348   -0.01906    0.07006
 34 O     1.61348   -0.01906    0.07006
 35 O     0.00000   -0.03248   -0.52646
 36 O    -0.00000    0.22847   -0.12630
 37 Pt    0.00000   -0.33908   -0.04656
 38 Pt    0.00000   -0.00368   -0.01252
 39 O     0.01083    0.01141    0.01517
 40 O    -0.01083    0.01141    0.01517
 41 O    -0.00000    0.00564   -0.00096
 42 O    -0.00000    0.03625   -0.01764
 43 Pt    0.00000   -0.00513    0.12578
 44 Pt    0.00000   -0.09579    0.04874
 45 O    -0.22283   -0.41276    0.26317
 46 O     0.22283   -0.41276    0.26317
 47 O     0.00000   -0.02370   -0.05973
 48 O    -0.00000    0.02235    1.17213
 49 Pt    0.00000   -0.02291   -0.37902
 50 Pt   -0.00000    0.02111   -0.43780
 51 O    -1.69142   -0.01393   -0.71826
 52 O     1.69142   -0.01393   -0.71826
 53 O     0.00000   -0.01063   -1.40561
 54 O     0.00000   -0.00205    1.77391
 55 Pt    0.00000   -0.01215    0.51617
 56 Pt   -0.00000    0.12026    0.65722
 57 O    -1.61412    0.01380    0.09041
 58 O     1.61412    0.01380    0.09041
 59 O     0.00000   -0.02130   -0.51795
 60 O     0.00000   -0.21929   -0.12213
 61 Pt   -0.00000    0.01156   -0.09804
 62 Pt   -0.00000    0.01746   -0.00651
 63 O    -0.01498   -0.00813    0.00245
 64 O     0.01498   -0.00813    0.00245
 65 O     0.00000    0.00020    0.00194
 66 O     0.00000   -0.01396   -0.00645
 67 Pt   -0.00000    0.00557    0.03119
 68 Pt   -0.00000    0.15899    0.02459
 69 O    -0.00970   -0.00388   -0.02541
 70 O     0.00970   -0.00388   -0.02541
 71 O    -0.00000    0.00840   -0.05398
 72 N    -0.00000    0.01278    0.14296
 73 N     0.00000   -0.01999    0.09168

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 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    2.896985   24.829976    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.853594   24.460688    ( 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  02:58:34  -2.40   +inf  -414.273635    2      1      
iter:   2  03:00:45  -3.32  -3.48  -414.281696    3      1      
iter:   3  03:02:55  -3.89  -3.40  -414.278117    3      1      
iter:   4  03:05:05  -4.33  -3.33  -414.276957    2      1      
iter:   5  03:07:16  -4.22  -3.27  -414.276031    3      1      
iter:   6  03:09:25  -4.38  -3.69  -414.274203    2      1      
iter:   7  03:11:34  -4.98  -4.18  -414.274288    2      1      
iter:   8  03:13:42  -5.20  -4.05  -414.273583    3      1      
iter:   9  03:15:48  -5.60  -4.20  -414.274471    2      1      
iter:  10  03:17:57  -5.93  -4.03  -414.273850    2      1      
iter:  11  03:20:06  -6.34  -4.30  -414.273653    2      1      
iter:  12  03:22:16  -6.76  -4.39  -414.273960    2      1      
iter:  13  03:24:23  -6.85  -4.61  -414.273818    2      1      
iter:  14  03:26:23  -6.75  -4.75  -414.273947    2      1      
iter:  15  03:28:22  -7.02  -4.79  -414.273740    2      1      
iter:  16  03:30:20  -7.54  -4.57  -414.273891    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963426, -32.550646, -0.000966) |e|*Ang

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

Kinetic:        +17.736710
Potential:     -136.898552
External:        +0.000000
XC:            -304.832671
Entropy (-ST):   -1.566263
Local:          +10.503754
--------------------------
Free energy:   -415.057022
Extrapolated:  -414.273891

Fermi level: -6.53571

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60277    0.14703
  0   340     -6.58954    0.14032
  0   341     -6.58883    0.13995
  0   342     -6.56260    0.12596

  1   339     -6.50948    0.19325
  1   340     -6.46149    0.14335
  1   341     -6.43011    0.11470
  1   342     -6.42429    0.10982



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17504
  1 Pt    0.00000   -0.00274   -0.37651
  2 Pt    0.00000   -0.01905   -0.43444
  3 O    -1.68425    0.00027   -0.71837
  4 O     1.68425    0.00027   -0.71837
  5 O     0.00000   -0.01109   -1.38697
  6 O     0.00000   -0.00295    1.76292
  7 Pt   -0.00000    0.01396    0.45006
  8 Pt    0.00000   -0.04173    0.75426
  9 O    -1.58096    0.00056    0.05072
 10 O     1.58096    0.00056    0.05072
 11 O     0.00000   -0.00886   -0.56737
 12 O    -0.00000    0.00907    0.13566
 13 Pt   -0.00000    0.30712   -0.03698
 14 Pt    0.00000   -0.02013    0.00835
 15 O    -0.00016    0.01121    0.00320
 16 O     0.00016    0.01121    0.00320
 17 O    -0.00000    0.01470   -1.15193
 18 O    -0.00000    0.00055    0.02748
 19 Pt    0.00000   -0.02371    0.13513
 20 Pt    0.00000   -0.06254    0.18431
 21 O    -0.21666    0.40094    0.22841
 22 O     0.21666    0.40094    0.22841
 23 O     0.00000   -0.01485   -0.08818
 24 O     0.00000   -0.00081    1.15091
 25 Pt   -0.00000    0.01758   -0.37932
 26 Pt    0.00000   -0.00013   -0.43512
 27 O    -1.69279    0.01334   -0.71777
 28 O     1.69279    0.01334   -0.71777
 29 O    -0.00000    0.04443   -1.39023
 30 O     0.00000   -0.00421    1.82875
 31 Pt   -0.00000    0.01919    0.51038
 32 Pt    0.00000   -0.13702    0.58306
 33 O    -1.61344   -0.01909    0.06988
 34 O     1.61344   -0.01909    0.06988
 35 O     0.00000   -0.03241   -0.52631
 36 O    -0.00000    0.22928   -0.12652
 37 Pt    0.00000   -0.34077   -0.04634
 38 Pt    0.00000   -0.00403   -0.01181
 39 O     0.01071    0.01137    0.01559
 40 O    -0.01071    0.01137    0.01559
 41 O    -0.00000    0.00565   -0.00041
 42 O    -0.00000    0.03626   -0.01748
 43 Pt    0.00000   -0.00521    0.12337
 44 Pt    0.00000   -0.09623    0.04482
 45 O    -0.22404   -0.41456    0.26166
 46 O     0.22404   -0.41456    0.26166
 47 O     0.00000   -0.02304   -0.06253
 48 O    -0.00000    0.02234    1.17293
 49 Pt    0.00000   -0.02293   -0.37861
 50 Pt   -0.00000    0.02110   -0.43693
 51 O    -1.69219   -0.01394   -0.71782
 52 O     1.69219   -0.01394   -0.71782
 53 O     0.00000   -0.01056   -1.40566
 54 O     0.00000   -0.00209    1.77190
 55 Pt    0.00000   -0.01220    0.51556
 56 Pt   -0.00000    0.12001    0.65667
 57 O    -1.61415    0.01381    0.09014
 58 O     1.61415    0.01381    0.09014
 59 O     0.00000   -0.02134   -0.51799
 60 O     0.00000   -0.22030   -0.12230
 61 Pt   -0.00000    0.01164   -0.09802
 62 Pt   -0.00000    0.01753   -0.00576
 63 O    -0.01489   -0.00822    0.00272
 64 O     0.01489   -0.00822    0.00272
 65 O     0.00000    0.00042    0.00233
 66 O     0.00000   -0.01418   -0.00608
 67 Pt   -0.00000    0.00581    0.02850
 68 Pt   -0.00000    0.15774    0.01945
 69 O    -0.01032   -0.00363   -0.02828
 70 O     0.01032   -0.00363   -0.02828
 71 O    -0.00000    0.00798   -0.05702
 72 N     0.00000   -0.26439    0.00951
 73 N    -0.00000    0.21669    0.07118

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 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    2.895330   24.844615    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.858286   24.472476    ( 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  03:37:15  -3.10   +inf  -414.402168    4      1      
iter:   2  03:39:27  -2.84  -2.58  -417.400221    4      1      
iter:   3  03:41:39  -3.18  -1.88  -414.282710    3      1      
iter:   4  03:43:52  -3.83  -3.08  -414.283112    3      1      
iter:   5  03:46:05  -4.47  -3.43  -414.277235    3      1      
iter:   6  03:48:17  -4.70  -3.59  -414.274754    3      1      
iter:   7  03:50:30  -4.70  -3.79  -414.274027    3      1      
iter:   8  03:52:43  -4.93  -3.95  -414.274511    3      1      
iter:   9  03:54:54  -5.50  -3.98  -414.274474    3      1      
iter:  10  03:57:06  -5.97  -4.30  -414.274615    3      1      
iter:  11  03:59:19  -6.05  -4.42  -414.274215    3      1      
iter:  12  04:01:31  -6.70  -4.37  -414.274650    2      1      
iter:  13  04:03:43  -6.59  -4.43  -414.274487    3      1      
iter:  14  04:05:56  -6.57  -4.39  -414.274410    2      1      
iter:  15  04:08:09  -7.02  -4.69  -414.274438    2      1      
iter:  16  04:10:08  -7.17  -4.61  -414.274342    2      1      
iter:  17  04:12:07  -7.09  -4.73  -414.274402    2      1      
iter:  18  04:14:06  -7.35  -4.86  -414.274270    2      1      
iter:  19  04:16:04  -7.44  -4.89  -414.274338    2      1      

Converged after 19 iterations.

Dipole moment: (-55.963470, -32.548426, -0.003783) |e|*Ang

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

Kinetic:        +18.463164
Potential:     -137.469483
External:        +0.000000
XC:            -304.990963
Entropy (-ST):   -1.566446
Local:          +10.506167
--------------------------
Free energy:   -415.057561
Extrapolated:  -414.274338

Fermi level: -6.53781

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60487    0.14703
  0   340     -6.59162    0.14030
  0   341     -6.59090    0.13993
  0   342     -6.56477    0.12600

  1   339     -6.51167    0.19334
  1   340     -6.46356    0.14331
  1   341     -6.43228    0.11476
  1   342     -6.42640    0.10982



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17479
  1 Pt    0.00000   -0.00273   -0.37667
  2 Pt    0.00000   -0.01910   -0.43408
  3 O    -1.68405    0.00026   -0.71848
  4 O     1.68405    0.00026   -0.71848
  5 O     0.00000   -0.01103   -1.38692
  6 O     0.00000   -0.00279    1.76385
  7 Pt   -0.00000    0.01389    0.45042
  8 Pt    0.00000   -0.04160    0.75457
  9 O    -1.58096    0.00056    0.05072
 10 O     1.58096    0.00056    0.05072
 11 O     0.00000   -0.00879   -0.56776
 12 O    -0.00000    0.00876    0.13558
 13 Pt   -0.00000    0.30769   -0.03780
 14 Pt    0.00000   -0.02058    0.00744
 15 O    -0.00031    0.01115    0.00284
 16 O     0.00031    0.01115    0.00284
 17 O    -0.00000    0.01442   -1.15292
 18 O     0.00000    0.00030    0.02773
 19 Pt    0.00000   -0.02257    0.13924
 20 Pt    0.00000   -0.06155    0.19586
 21 O    -0.21650    0.40190    0.23199
 22 O     0.21650    0.40190    0.23199
 23 O     0.00000   -0.01300   -0.08562
 24 O     0.00000   -0.00077    1.15063
 25 Pt   -0.00000    0.01758   -0.37931
 26 Pt    0.00000   -0.00010   -0.43477
 27 O    -1.69255    0.01334   -0.71786
 28 O     1.69255    0.01334   -0.71786
 29 O    -0.00000    0.04435   -1.39007
 30 O     0.00000   -0.00437    1.82976
 31 Pt   -0.00000    0.01920    0.51050
 32 Pt    0.00000   -0.13710    0.58337
 33 O    -1.61357   -0.01904    0.06982
 34 O     1.61357   -0.01904    0.06982
 35 O     0.00000   -0.03247   -0.52673
 36 O    -0.00000    0.22940   -0.12659
 37 Pt    0.00000   -0.34093   -0.04705
 38 Pt    0.00000   -0.00353   -0.01248
 39 O     0.01088    0.01132    0.01515
 40 O    -0.01088    0.01132    0.01515
 41 O    -0.00000    0.00599   -0.00074
 42 O    -0.00000    0.03666   -0.01731
 43 Pt    0.00000   -0.00588    0.13072
 44 Pt    0.00000   -0.09716    0.05293
 45 O    -0.22467   -0.41523    0.26954
 46 O     0.22467   -0.41523    0.26954
 47 O     0.00000   -0.02522   -0.06023
 48 O    -0.00000    0.02235    1.17263
 49 Pt    0.00000   -0.02294   -0.37878
 50 Pt   -0.00000    0.02111   -0.43670
 51 O    -1.69199   -0.01392   -0.71793
 52 O     1.69199   -0.01392   -0.71793
 53 O     0.00000   -0.01055   -1.40562
 54 O     0.00000   -0.00211    1.77278
 55 Pt    0.00000   -0.01213    0.51589
 56 Pt   -0.00000    0.11996    0.65726
 57 O    -1.61417    0.01376    0.09013
 58 O     1.61417    0.01376    0.09013
 59 O     0.00000   -0.02134   -0.51795
 60 O     0.00000   -0.22006   -0.12250
 61 Pt   -0.00000    0.01129   -0.09860
 62 Pt   -0.00000    0.01748   -0.00675
 63 O    -0.01496   -0.00812    0.00257
 64 O     0.01496   -0.00812    0.00257
 65 O     0.00000    0.00019    0.00113
 66 O     0.00000   -0.01427   -0.00608
 67 Pt   -0.00000    0.00526    0.03072
 68 Pt   -0.00000    0.15824    0.02382
 69 O    -0.00965   -0.00427   -0.02593
 70 O     0.00965   -0.00427   -0.02593
 71 O    -0.00000    0.00846   -0.05545
 72 N    -0.00000    0.43809    0.22320
 73 N     0.00000   -0.41339   -0.08539

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 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    2.895535   24.872460    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.864402   24.501714    ( 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  04:20:42  -2.50   +inf  -414.464535    4      1      
iter:   2  04:22:54  -2.64  -2.49  -418.479149    4      1      
iter:   3  04:25:07  -3.03  -1.83  -414.294783    4      1      
iter:   4  04:27:21  -3.61  -2.86  -414.289289    3      1      
iter:   5  04:29:33  -4.32  -3.21  -414.278576    3      1      
iter:   6  04:31:44  -4.37  -3.44  -414.273244    3      1      
iter:   7  04:33:56  -4.50  -3.73  -414.272963    3      1      
iter:   8  04:36:09  -4.58  -3.83  -414.272401    3      1      
iter:   9  04:38:21  -5.12  -4.12  -414.272460    3      1      
iter:  10  04:40:33  -5.45  -3.65  -414.273867    2      1      
iter:  11  04:42:45  -5.68  -3.79  -414.272247    3      1      
iter:  12  04:44:58  -6.13  -4.28  -414.272477    2      1      
iter:  13  04:47:11  -6.20  -4.33  -414.272202    2      1      
iter:  14  04:49:22  -6.42  -4.50  -414.272264    2      1      
iter:  15  04:51:35  -6.67  -4.51  -414.272161    2      1      
iter:  16  04:53:46  -6.88  -4.39  -414.272027    2      1      
iter:  17  04:55:45  -7.28  -4.45  -414.272184    2      1      
iter:  18  04:57:44  -7.48  -4.85  -414.272123    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963534, -32.545989, -0.007543) |e|*Ang

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

Kinetic:        +19.395468
Potential:     -138.210515
External:        +0.000000
XC:            -305.180519
Entropy (-ST):   -1.566608
Local:          +10.506748
--------------------------
Free energy:   -415.055426
Extrapolated:  -414.272123

Fermi level: -6.54042

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60723    0.14691
  0   340     -6.59439    0.14038
  0   341     -6.59373    0.14004
  0   342     -6.56746    0.12604

  1   339     -6.51450    0.19358
  1   340     -6.46625    0.14339
  1   341     -6.43511    0.11494
  1   342     -6.42903    0.10984



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17418
  1 Pt    0.00000   -0.00275   -0.37591
  2 Pt    0.00000   -0.01910   -0.43348
  3 O    -1.68268    0.00024   -0.71864
  4 O     1.68268    0.00024   -0.71864
  5 O     0.00000   -0.01103   -1.38699
  6 O     0.00000   -0.00282    1.76908
  7 Pt   -0.00000    0.01390    0.45186
  8 Pt    0.00000   -0.04165    0.75524
  9 O    -1.58125    0.00055    0.05084
 10 O     1.58125    0.00055    0.05084
 11 O     0.00000   -0.00880   -0.56757
 12 O    -0.00000    0.00879    0.13563
 13 Pt   -0.00000    0.30872   -0.03742
 14 Pt    0.00000   -0.02051    0.00747
 15 O    -0.00090    0.01113    0.00233
 16 O     0.00090    0.01113    0.00233
 17 O    -0.00000    0.01410   -1.15334
 18 O     0.00000    0.00022    0.02661
 19 Pt    0.00000   -0.02289    0.14293
 20 Pt    0.00000   -0.06085    0.19845
 21 O    -0.21750    0.40291    0.23426
 22 O     0.21750    0.40291    0.23426
 23 O     0.00000   -0.01310   -0.08418
 24 O     0.00000   -0.00077    1.15000
 25 Pt   -0.00000    0.01760   -0.37857
 26 Pt    0.00000   -0.00009   -0.43424
 27 O    -1.69119    0.01336   -0.71803
 28 O     1.69119    0.01336   -0.71803
 29 O    -0.00000    0.04430   -1.39018
 30 O     0.00000   -0.00444    1.83485
 31 Pt   -0.00000    0.01920    0.51198
 32 Pt    0.00000   -0.13703    0.58424
 33 O    -1.61383   -0.01903    0.06995
 34 O     1.61383   -0.01903    0.06995
 35 O     0.00000   -0.03254   -0.52659
 36 O    -0.00000    0.22972   -0.12689
 37 Pt    0.00000   -0.34187   -0.04692
 38 Pt    0.00000   -0.00339   -0.01217
 39 O     0.01026    0.01137    0.01466
 40 O    -0.01026    0.01137    0.01466
 41 O    -0.00000    0.00610    0.00057
 42 O    -0.00000    0.03684   -0.01834
 43 Pt    0.00000   -0.00559    0.13392
 44 Pt    0.00000   -0.09725    0.05627
 45 O    -0.22556   -0.41646    0.27169
 46 O     0.22556   -0.41646    0.27169
 47 O     0.00000   -0.02527   -0.05937
 48 O    -0.00000    0.02237    1.17202
 49 Pt    0.00000   -0.02294   -0.37806
 50 Pt   -0.00000    0.02110   -0.43617
 51 O    -1.69063   -0.01392   -0.71810
 52 O     1.69063   -0.01392   -0.71810
 53 O     0.00000   -0.01050   -1.40569
 54 O     0.00000   -0.00200    1.77788
 55 Pt    0.00000   -0.01215    0.51740
 56 Pt   -0.00000    0.11992    0.65805
 57 O    -1.61448    0.01376    0.09026
 58 O     1.61448    0.01376    0.09026
 59 O     0.00000   -0.02128   -0.51787
 60 O     0.00000   -0.22044   -0.12277
 61 Pt   -0.00000    0.01133   -0.09884
 62 Pt   -0.00000    0.01728   -0.00632
 63 O    -0.01576   -0.00815    0.00217
 64 O     0.01576   -0.00815    0.00217
 65 O     0.00000    0.00019    0.00301
 66 O     0.00000   -0.01436   -0.00714
 67 Pt   -0.00000    0.00533    0.03332
 68 Pt   -0.00000    0.15873    0.02874
 69 O    -0.00949   -0.00420   -0.02398
 70 O     0.00949   -0.00420   -0.02398
 71 O    -0.00000    0.00864   -0.05432
 72 N    -0.00000    1.25510    0.58037
 73 N     0.00000   -1.20007   -0.42219

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 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    2.896922   24.900443    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.870232   24.532469    ( 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  05:09:46  -2.49   +inf  -414.338703    4      1      
iter:   2  05:11:59  -3.12  -2.78  -414.934846    4      1      
iter:   3  05:14:11  -3.45  -2.19  -414.346251    3      1      
iter:   4  05:16:24  -3.94  -2.66  -414.276810    3      1      
iter:   5  05:18:36  -4.66  -3.55  -414.272228    3      1      
iter:   6  05:20:48  -4.52  -3.61  -414.267758    3      1      
iter:   7  05:23:00  -4.96  -3.69  -414.268334    3      1      
iter:   8  05:25:14  -4.75  -3.93  -414.268196    3      1      
iter:   9  05:27:27  -5.16  -4.10  -414.268179    3      1      
iter:  10  05:29:40  -5.26  -3.90  -414.269511    2      1      
iter:  11  05:31:52  -5.82  -3.94  -414.267431    3      1      
iter:  12  05:34:05  -5.85  -3.90  -414.268417    3      1      
iter:  13  05:36:17  -6.09  -4.21  -414.268227    2      1      
iter:  14  05:38:29  -6.23  -4.49  -414.268130    2      1      
iter:  15  05:40:41  -6.62  -4.65  -414.268080    2      1      
iter:  16  05:42:53  -6.75  -4.33  -414.267831    2      1      
iter:  17  05:45:05  -6.97  -4.57  -414.268388    2      1      
iter:  18  05:47:03  -7.21  -4.57  -414.267980    2      1      
iter:  19  05:49:01  -6.95  -4.46  -414.268150    3      1      
iter:  20  05:51:00  -6.86  -5.06  -414.268159    2      1      
iter:  21  05:52:58  -7.18  -5.12  -414.268149    2      1      
iter:  22  05:54:56  -7.93  -4.98  -414.268136    2      1      

Converged after 22 iterations.

Dipole moment: (-55.963509, -32.544806, -0.007478) |e|*Ang

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

Kinetic:        +20.343057
Potential:     -138.981320
External:        +0.000000
XC:            -305.349828
Entropy (-ST):   -1.566283
Local:          +10.503097
--------------------------
Free energy:   -415.051277
Extrapolated:  -414.268136

Fermi level: -6.54059

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60733    0.14687
  0   340     -6.59452    0.14037
  0   341     -6.59386    0.14003
  0   342     -6.56765    0.12605

  1   339     -6.51443    0.19333
  1   340     -6.46645    0.14342
  1   341     -6.43542    0.11507
  1   342     -6.42913    0.10978



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17506
  1 Pt    0.00000   -0.00277   -0.37607
  2 Pt    0.00000   -0.01910   -0.43335
  3 O    -1.68331    0.00025   -0.71823
  4 O     1.68331    0.00025   -0.71823
  5 O     0.00000   -0.01101   -1.38705
  6 O     0.00000   -0.00279    1.76663
  7 Pt   -0.00000    0.01384    0.45139
  8 Pt    0.00000   -0.04166    0.75514
  9 O    -1.58074    0.00058    0.05109
 10 O     1.58074    0.00058    0.05109
 11 O     0.00000   -0.00880   -0.56753
 12 O    -0.00000    0.00873    0.13585
 13 Pt   -0.00000    0.30949   -0.03631
 14 Pt    0.00000   -0.02054    0.00880
 15 O    -0.00029    0.01106    0.00321
 16 O     0.00029    0.01106    0.00321
 17 O    -0.00000    0.01371   -1.15656
 18 O     0.00000    0.00033    0.02735
 19 Pt    0.00000   -0.02272    0.13955
 20 Pt    0.00000   -0.05897    0.20020
 21 O    -0.21790    0.40394    0.23239
 22 O     0.21790    0.40394    0.23239
 23 O     0.00000   -0.01285   -0.08625
 24 O     0.00000   -0.00076    1.15090
 25 Pt   -0.00000    0.01763   -0.37869
 26 Pt    0.00000   -0.00008   -0.43408
 27 O    -1.69181    0.01335   -0.71762
 28 O     1.69181    0.01335   -0.71762
 29 O    -0.00000    0.04426   -1.39030
 30 O     0.00000   -0.00443    1.83259
 31 Pt   -0.00000    0.01926    0.51149
 32 Pt    0.00000   -0.13691    0.58426
 33 O    -1.61334   -0.01905    0.07020
 34 O     1.61334   -0.01905    0.07020
 35 O     0.00000   -0.03250   -0.52644
 36 O    -0.00000    0.22996   -0.12678
 37 Pt    0.00000   -0.34244   -0.04576
 38 Pt    0.00000   -0.00349   -0.01126
 39 O     0.01089    0.01142    0.01557
 40 O    -0.01089    0.01142    0.01557
 41 O    -0.00000    0.00614    0.00224
 42 O    -0.00000    0.03661   -0.01777
 43 Pt    0.00000   -0.00589    0.13132
 44 Pt    0.00000   -0.09704    0.05123
 45 O    -0.22626   -0.41765    0.27091
 46 O     0.22626   -0.41765    0.27091
 47 O     0.00000   -0.02527   -0.06177
 48 O    -0.00000    0.02236    1.17291
 49 Pt    0.00000   -0.02296   -0.37821
 50 Pt   -0.00000    0.02110   -0.43604
 51 O    -1.69125   -0.01392   -0.71768
 52 O     1.69125   -0.01392   -0.71768
 53 O     0.00000   -0.01046   -1.40580
 54 O     0.00000   -0.00203    1.77558
 55 Pt    0.00000   -0.01215    0.51694
 56 Pt   -0.00000    0.11980    0.65807
 57 O    -1.61395    0.01375    0.09048
 58 O     1.61395    0.01375    0.09048
 59 O     0.00000   -0.02132   -0.51766
 60 O     0.00000   -0.22065   -0.12261
 61 Pt   -0.00000    0.01126   -0.09752
 62 Pt   -0.00000    0.01740   -0.00549
 63 O    -0.01511   -0.00812    0.00290
 64 O     0.01511   -0.00812    0.00290
 65 O     0.00000    0.00030    0.00413
 66 O     0.00000   -0.01421   -0.00660
 67 Pt   -0.00000    0.00542    0.03004
 68 Pt   -0.00000    0.15790    0.02187
 69 O    -0.01026   -0.00428   -0.02726
 70 O     0.01026   -0.00428   -0.02726
 71 O    -0.00000    0.00843   -0.05714
 72 N    -0.00000    2.03487    0.81056
 73 N     0.00000   -1.96753   -0.63984

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 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    2.902036   24.922000    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.872126   24.565712    ( 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  05:59:36  -2.56   +inf  -414.272697    3      1      
iter:   2  06:01:46  -3.51  -3.62  -414.270443    3      1      
iter:   3  06:03:55  -4.11  -3.32  -414.275102    3      1      
iter:   4  06:06:02  -4.57  -3.25  -414.273043    3      1      
iter:   5  06:08:09  -4.36  -3.59  -414.268698    3      1      
iter:   6  06:10:18  -4.58  -3.64  -414.268929    3      1      
iter:   7  06:12:26  -5.17  -4.12  -414.269131    3      1      
