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

User:   hao@node032.cluster
Date:   Mon Dec 13 22:37:31 2021
Arch:   x86_64
Pid:    23849
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: 134.93 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                     
                                   
          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    2.063981   24.337679    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.831893   23.258821    ( 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  22:40:33  +0.88   +inf  -536.317999    3      1      
iter:   2  22:42:46  -0.13  -1.04  -494.009047    35     1      
iter:   3  22:44:58  +0.14  -1.11  -490.977923    37     1      
iter:   4  22:47:11  -0.49  -1.17  -420.737590    36     1      
iter:   5  22:49:22  -1.21  -1.43  -418.566319    34     1      
iter:   6  22:51:33  -1.51  -1.47  -420.437487    4      1      
iter:   7  22:53:43  -1.63  -1.47  -416.923450    37     1      
iter:   8  22:55:51  -1.77  -1.52  -419.784239    4      1      
iter:   9  22:57:58  -1.62  -1.56  -421.598014    34     1      
iter:  10  23:00:06  -2.09  -1.59  -416.110518    4      1      
iter:  11  23:02:15  -2.06  -1.70  -416.511268    3      1      
iter:  12  23:04:25  -1.98  -1.87  -414.889966    36     1      
iter:  13  23:06:35  -2.18  -2.05  -415.163345    4      1      
iter:  14  23:08:43  -2.11  -2.08  -414.467732    4      1      
iter:  15  23:10:52  -2.73  -2.37  -414.697742    3      1      
iter:  16  23:13:00  -3.05  -2.23  -414.333955    3      1      
iter:  17  23:15:07  -3.15  -2.49  -414.342135    3      1      
iter:  18  23:17:16  -3.46  -2.53  -414.305926    3      1      
iter:  19  23:19:25  -3.47  -2.62  -414.364545    3      1      
iter:  20  23:21:33  -3.62  -2.52  -414.305319    3      1      
iter:  21  23:23:42  -4.00  -2.72  -414.297500    3      1      
iter:  22  23:25:51  -3.92  -2.74  -414.292402    3      1      
iter:  23  23:27:59  -3.98  -2.83  -414.289303    3      1      
iter:  24  23:30:08  -4.13  -2.93  -414.312977    3      1      
iter:  25  23:32:16  -4.30  -2.82  -414.291544    3      1      
iter:  26  23:34:24  -4.57  -3.11  -414.292280    2      1      
iter:  27  23:36:33  -4.34  -3.17  -414.295599    3      1      
iter:  28  23:38:42  -4.89  -3.39  -414.293672    3      1      
iter:  29  23:40:52  -4.89  -3.48  -414.293083    2      1      
iter:  30  23:43:01  -4.91  -3.67  -414.291665    3      1      
iter:  31  23:45:08  -5.75  -3.68  -414.292212    2      1      
iter:  32  23:47:17  -6.05  -3.84  -414.292048    2      1      
iter:  33  23:49:25  -5.68  -3.85  -414.291993    2      1      
iter:  34  23:51:34  -6.03  -4.13  -414.292714    2      1      
iter:  35  23:53:44  -5.90  -4.15  -414.292311    2      1      
iter:  36  23:55:54  -6.27  -4.58  -414.292379    2      1      
iter:  37  23:58:03  -6.43  -4.65  -414.292454    2      1      
iter:  38  00:00:12  -6.60  -4.68  -414.292510    2      1      
iter:  39  00:02:19  -7.15  -4.57  -414.292490    2      1      
iter:  40  00:04:23  -7.40  -4.80  -414.292335    2      1      
iter:  41  00:06:22  -7.37  -4.78  -414.292429    2      1      
iter:  42  00:08:21  -7.28  -4.93  -414.292401    2      1      
iter:  43  00:10:19  -7.60  -5.11  -414.292412    2      1      

Converged after 43 iterations.

Dipole moment: (-55.961165, -33.019456, 0.312246) |e|*Ang

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

Kinetic:        +20.025372
Potential:     -137.630161
External:        +0.000000
XC:            -306.456750
Entropy (-ST):   -1.544823
Local:          +10.541539
--------------------------
Free energy:   -415.064823
Extrapolated:  -414.292412

Fermi level: -6.27396

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.35698    0.15476
  0   340     -6.33004    0.14148
  0   341     -6.32812    0.14049
  0   342     -6.29169    0.12094

  1   339     -6.25217    0.19811
  1   340     -6.20158    0.14514
  1   341     -6.16147    0.10894
  1   342     -6.15945    0.10729



Forces in eV/Ang:
  0 O     0.00000   -0.01797    1.17310
  1 Pt   -0.00000    0.01169   -0.38242
  2 Pt    0.00000   -0.01909   -0.43699
  3 O    -1.68186   -0.00025   -0.71934
  4 O     1.68186   -0.00025   -0.71934
  5 O     0.00000   -0.01042   -1.41480
  6 O     0.00000   -0.00271    1.77475
  7 Pt   -0.00000    0.01248    0.45242
  8 Pt    0.00000   -0.04368    0.80972
  9 O    -1.58060    0.00165    0.04796
 10 O     1.58060    0.00165    0.04796
 11 O     0.00000   -0.00882   -0.55647
 12 O    -0.00000    0.00339    0.01465
 13 Pt   -0.00000    0.02273    0.00166
 14 Pt    0.00000   -0.02132   -0.00011
 15 O    -0.00351    0.00900    0.00161
 16 O     0.00351    0.00900    0.00161
 17 O     0.00000   -0.11057   -0.05450
 18 O    -0.00000    0.00128    0.01035
 19 Pt    0.00000   -0.04100   -0.00655
 20 Pt   -0.00000    0.19884    0.05007
 21 O    -0.05051    0.07333    0.06601
 22 O     0.05051    0.07333    0.06601
 23 O     0.00000   -0.01646    0.00404
 24 O    -0.00000    0.00073    1.15198
 25 Pt   -0.00000    0.00273   -0.38518
 26 Pt   -0.00000    0.00010   -0.43476
 27 O    -1.69026    0.01387   -0.71869
 28 O     1.69026    0.01387   -0.71869
 29 O    -0.00000    0.05983   -1.38286
 30 O     0.00000   -0.00547    1.83585
 31 Pt   -0.00000    0.02036    0.51222
 32 Pt    0.00000   -0.19089    0.53873
 33 O    -1.61352   -0.01979    0.06761
 34 O     1.61352   -0.01979    0.06761
 35 O     0.00000   -0.03256   -0.51982
 36 O    -0.00000    0.02944   -0.03570
 37 Pt    0.00000   -0.02263   -0.00390
 38 Pt    0.00000   -0.00396   -0.00979
 39 O     0.00786    0.01377    0.01433
 40 O    -0.00786    0.01377    0.01433
 41 O     0.00000    0.00955   -0.01196
 42 O    -0.00000    0.01785   -0.01066
 43 Pt   -0.00000    0.01148   -0.02249
 44 Pt   -0.00000    0.02716   -0.00377
 45 O    -0.01016   -0.02532   -0.00223
 46 O     0.01016   -0.02532   -0.00223
 47 O     0.00000   -0.02996   -0.01015
 48 O    -0.00000    0.02121    1.17389
 49 Pt    0.00000   -0.02314   -0.38859
 50 Pt   -0.00000    0.02094   -0.43680
 51 O    -1.68843   -0.01391   -0.71981
 52 O     1.68843   -0.01391   -0.71981
 53 O     0.00000   -0.02463   -1.39736
 54 O     0.00000   -0.00105    1.77889
 55 Pt    0.00000   -0.01195    0.51546
 56 Pt   -0.00000    0.17119    0.61401
 57 O    -1.61225    0.01401    0.09926
 58 O     1.61225    0.01401    0.09926
 59 O     0.00000   -0.02130   -0.51148
 60 O     0.00000   -0.02341   -0.03516
 61 Pt   -0.00000    0.01111    0.01056
 62 Pt   -0.00000    0.01761   -0.00404
 63 O    -0.00061   -0.00793    0.00136
 64 O     0.00061   -0.00793    0.00136
 65 O     0.00000   -0.00433   -0.00091
 66 O     0.00000    0.00544    0.00105
 67 Pt   -0.00000    0.00545    0.00107
 68 Pt   -0.00000    0.05549   -0.03331
 69 O    -0.00170   -0.00371    0.00317
 70 O     0.00170   -0.00371    0.00317
 71 O    -0.00000    0.01264   -0.00791
 72 N    -0.00000    0.05072    0.20722
 73 N     0.00000   -0.29999   -0.10745

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    2.066334   24.340519    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.828185   23.257685    ( 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  00:31:02  -3.81   +inf  -414.355901    3      1      
iter:   2  00:33:11  -3.14  -2.71  -415.992188    3      1      
iter:   3  00:35:19  -3.47  -2.01  -414.307997    3      1      
iter:   4  00:37:26  -4.18  -3.25  -414.296331    3      1      
iter:   5  00:39:36  -4.63  -3.47  -414.295721    3      1      
iter:   6  00:41:46  -4.99  -3.88  -414.294202    3      1      
iter:   7  00:43:56  -5.00  -3.74  -414.292869    3      1      
iter:   8  00:46:06  -5.16  -3.93  -414.292677    3      1      
iter:   9  00:48:13  -5.44  -4.20  -414.292316    2      1      
iter:  10  00:50:12  -6.22  -4.30  -414.292805    2      1      
iter:  11  00:52:10  -6.10  -4.28  -414.292401    2      1      
iter:  12  00:54:08  -6.70  -4.26  -414.292410    2      1      
iter:  13  00:56:07  -6.44  -4.13  -414.292553    2      1      
iter:  14  00:58:06  -6.39  -4.61  -414.292561    2      1      
iter:  15  01:00:05  -6.69  -4.76  -414.292555    2      1      
iter:  16  01:02:04  -7.03  -4.85  -414.292413    2      1      
iter:  17  01:04:02  -7.48  -4.83  -414.292491    2      1      

Converged after 17 iterations.

Dipole moment: (-55.960889, -33.019640, 0.312467) |e|*Ang

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

Kinetic:        +19.284447
Potential:     -137.045688
External:        +0.000000
XC:            -306.294969
Entropy (-ST):   -1.544797
Local:          +10.536117
--------------------------
Free energy:   -415.064889
Extrapolated:  -414.292491

Fermi level: -6.27368

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.35665    0.15473
  0   340     -6.32986    0.14152
  0   341     -6.32793    0.14053
  0   342     -6.29129    0.12087

  1   339     -6.25187    0.19809
  1   340     -6.20137    0.14521
  1   341     -6.16113    0.10888
  1   342     -6.15914    0.10726



Forces in eV/Ang:
  0 O     0.00000   -0.01794    1.17388
  1 Pt   -0.00000    0.01171   -0.38129
  2 Pt    0.00000   -0.01908   -0.43709
  3 O    -1.68185   -0.00023   -0.71898
  4 O     1.68185   -0.00023   -0.71898
  5 O     0.00000   -0.01046   -1.41507
  6 O     0.00000   -0.00272    1.77439
  7 Pt   -0.00000    0.01246    0.45264
  8 Pt    0.00000   -0.04356    0.80977
  9 O    -1.58036    0.00162    0.04819
 10 O     1.58036    0.00162    0.04819
 11 O     0.00000   -0.00881   -0.55605
 12 O    -0.00000    0.00373    0.01537
 13 Pt   -0.00000    0.02222    0.00271
 14 Pt    0.00000   -0.02132    0.00062
 15 O    -0.00358    0.00909    0.00197
 16 O     0.00358    0.00909    0.00197
 17 O     0.00000   -0.10533   -0.05248
 18 O    -0.00000    0.00132    0.01091
 19 Pt    0.00000   -0.04132   -0.00973
 20 Pt   -0.00000    0.18812    0.05423
 21 O    -0.05019    0.07128    0.05898
 22 O     0.05019    0.07128    0.05898
 23 O     0.00000   -0.01681    0.00186
 24 O    -0.00000    0.00071    1.15278
 25 Pt   -0.00000    0.00270   -0.38407
 26 Pt   -0.00000    0.00008   -0.43486
 27 O    -1.69026    0.01385   -0.71834
 28 O     1.69026    0.01385   -0.71834
 29 O    -0.00000    0.05985   -1.38301
 30 O     0.00000   -0.00542    1.83564
 31 Pt   -0.00000    0.02040    0.51247
 32 Pt    0.00000   -0.19091    0.53866
 33 O    -1.61325   -0.01979    0.06781
 34 O     1.61325   -0.01979    0.06781
 35 O     0.00000   -0.03257   -0.51945
 36 O    -0.00000    0.02915   -0.03463
 37 Pt    0.00000   -0.02342   -0.00298
 38 Pt    0.00000   -0.00407   -0.00918
 39 O     0.00770    0.01372    0.01474
 40 O    -0.00770    0.01372    0.01474
 41 O     0.00000    0.00937   -0.00930
 42 O    -0.00000    0.01764   -0.00983
 43 Pt   -0.00000    0.01158   -0.02479
 44 Pt   -0.00000    0.02657   -0.00851
 45 O    -0.01065   -0.02463   -0.00650
 46 O     0.01065   -0.02463   -0.00650
 47 O     0.00000   -0.02917   -0.01286
 48 O    -0.00000    0.02122    1.17469
 49 Pt    0.00000   -0.02311   -0.38744
 50 Pt   -0.00000    0.02096   -0.43687
 51 O    -1.68840   -0.01391   -0.71948
 52 O     1.68840   -0.01391   -0.71948
 53 O     0.00000   -0.02468   -1.39760
 54 O     0.00000   -0.00109    1.77870
 55 Pt    0.00000   -0.01195    0.51564
 56 Pt   -0.00000    0.17125    0.61402
 57 O    -1.61206    0.01401    0.09948
 58 O     1.61206    0.01401    0.09948
 59 O     0.00000   -0.02129   -0.51115
 60 O     0.00000   -0.02337   -0.03425
 61 Pt   -0.00000    0.01121    0.01178
 62 Pt   -0.00000    0.01772   -0.00342
 63 O    -0.00068   -0.00794    0.00172
 64 O     0.00068   -0.00794    0.00172
 65 O     0.00000   -0.00434    0.00134
 66 O     0.00000    0.00556    0.00185
 67 Pt   -0.00000    0.00560   -0.00116
 68 Pt   -0.00000    0.05570   -0.03805
 69 O    -0.00311   -0.00366   -0.00003
 70 O     0.00311   -0.00366   -0.00003
 71 O    -0.00000    0.01214   -0.01047
 72 N     0.00000   -0.11341   -0.47578
 73 N     0.00000   -0.12333    0.58918

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    2.070352   24.341899    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.819063   23.261089    ( 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  01:20:05  -3.49   +inf  -414.324833    3      1      
iter:   2  01:22:15  -3.34  -2.84  -415.265521    3      1      
iter:   3  01:24:25  -3.66  -2.12  -414.298918    2      1      
iter:   4  01:26:36  -4.33  -3.52  -414.294396    3      1      
iter:   5  01:28:49  -4.76  -3.87  -414.294816    3      1      
iter:   6  01:31:00  -5.05  -4.21  -414.294111    3      1      
iter:   7  01:33:12  -5.30  -4.31  -414.293990    3      1      
iter:   8  01:35:24  -5.52  -4.36  -414.293991    2      1      
iter:   9  01:37:35  -5.81  -4.47  -414.293907    2      1      
iter:  10  01:39:46  -6.46  -4.59  -414.294161    2      1      
iter:  11  01:41:57  -6.70  -4.59  -414.293876    2      1      
iter:  12  01:43:57  -6.92  -4.72  -414.294086    2      1      
iter:  13  01:45:56  -7.06  -4.56  -414.294030    2      1      
iter:  14  01:47:56  -7.35  -5.07  -414.294057    2      1      
iter:  15  01:49:55  -7.60  -5.10  -414.294043    2      1      

Converged after 15 iterations.

Dipole moment: (-55.960934, -33.019979, 0.311537) |e|*Ang

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

Kinetic:        +19.059021
Potential:     -136.864609
External:        +0.000000
XC:            -306.253037
Entropy (-ST):   -1.544883
Local:          +10.537023
--------------------------
Free energy:   -415.066485
Extrapolated:  -414.294043

Fermi level: -6.27439

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.35736    0.15473
  0   340     -6.33058    0.14153
  0   341     -6.32866    0.14054
  0   342     -6.29203    0.12088

  1   339     -6.25260    0.19811
  1   340     -6.20209    0.14521
  1   341     -6.16180    0.10885
  1   342     -6.15989    0.10729



Forces in eV/Ang:
  0 O     0.00000   -0.01788    1.17348
  1 Pt   -0.00000    0.01163   -0.38141
  2 Pt    0.00000   -0.01908   -0.43703
  3 O    -1.68197   -0.00023   -0.71927
  4 O     1.68197   -0.00023   -0.71927
  5 O     0.00000   -0.01058   -1.41481
  6 O     0.00000   -0.00275    1.77564
  7 Pt   -0.00000    0.01253    0.45302
  8 Pt    0.00000   -0.04326    0.80978
  9 O    -1.58045    0.00161    0.04849
 10 O     1.58045    0.00161    0.04849
 11 O     0.00000   -0.00882   -0.55606
 12 O    -0.00000    0.00453    0.01616
 13 Pt   -0.00000    0.02097    0.00210
 14 Pt    0.00000   -0.02139    0.00026
 15 O    -0.00362    0.00916    0.00185
 16 O     0.00362    0.00916    0.00185
 17 O     0.00000   -0.09102   -0.05516
 18 O    -0.00000    0.00122    0.01105
 19 Pt    0.00000   -0.04090   -0.00867
 20 Pt   -0.00000    0.15686    0.06331
 21 O    -0.05038    0.07156    0.05996
 22 O     0.05038    0.07156    0.05996
 23 O     0.00000   -0.01729    0.00164
 24 O    -0.00000    0.00067    1.15236
 25 Pt   -0.00000    0.00281   -0.38419
 26 Pt   -0.00000    0.00008   -0.43480
 27 O    -1.69039    0.01386   -0.71865
 28 O     1.69039    0.01386   -0.71865
 29 O    -0.00000    0.05975   -1.38295
 30 O     0.00000   -0.00536    1.83685
 31 Pt   -0.00000    0.02038    0.51291
 32 Pt    0.00000   -0.19050    0.53924
 33 O    -1.61330   -0.01983    0.06805
 34 O     1.61330   -0.01983    0.06805
 35 O     0.00000   -0.03255   -0.51940
 36 O    -0.00000    0.03030   -0.03544
 37 Pt    0.00000   -0.02582   -0.00406
 38 Pt    0.00000   -0.00404   -0.00953
 39 O     0.00749    0.01369    0.01460
 40 O    -0.00749    0.01369    0.01460
 41 O     0.00000    0.00929   -0.00875
 42 O    -0.00000    0.01770   -0.00995
 43 Pt   -0.00000    0.01129   -0.02208
 44 Pt   -0.00000    0.02562   -0.00684
 45 O    -0.01402   -0.02929    0.00175
 46 O     0.01402   -0.02929    0.00175
 47 O     0.00000   -0.02926   -0.01231
 48 O    -0.00000    0.02120    1.17428
 49 Pt    0.00000   -0.02308   -0.38749
 50 Pt   -0.00000    0.02095   -0.43678
 51 O    -1.68855   -0.01391   -0.71976
 52 O     1.68855   -0.01391   -0.71976
 53 O     0.00000   -0.02470   -1.39776
 54 O     0.00000   -0.00111    1.77991
 55 Pt    0.00000   -0.01197    0.51605
 56 Pt   -0.00000    0.17103    0.61470
 57 O    -1.61210    0.01398    0.09966
 58 O     1.61210    0.01398    0.09966
 59 O     0.00000   -0.02132   -0.51111
 60 O     0.00000   -0.02479   -0.03525
 61 Pt   -0.00000    0.01133    0.01093
 62 Pt   -0.00000    0.01778   -0.00367
 63 O    -0.00086   -0.00798    0.00152
 64 O     0.00086   -0.00798    0.00152
 65 O     0.00000   -0.00461    0.00138
 66 O     0.00000    0.00551    0.00174
 67 Pt   -0.00000    0.00573    0.00084
 68 Pt   -0.00000    0.05663   -0.03493
 69 O    -0.00311   -0.00387    0.00201
 70 O     0.00311   -0.00387    0.00201
 71 O    -0.00000    0.01240   -0.00933
 72 N     0.00000   -0.16287   -0.58474
 73 N     0.00000   -0.03249    0.67642

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    2.073875   24.342494    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.810714   23.265100    ( 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  02:04:41  -3.57   +inf  -414.314239    3      1      
iter:   2  02:06:48  -3.55  -2.96  -414.876435    3      1      
iter:   3  02:08:55  -3.81  -2.23  -414.297174    2      1      
iter:   4  02:11:04  -4.48  -3.69  -414.296269    2      1      
iter:   5  02:13:14  -4.82  -4.27  -414.295641    2      1      
iter:   6  02:15:24  -5.12  -4.32  -414.296052    2      1      
iter:   7  02:17:34  -5.55  -4.13  -414.295649    2      1      
iter:   8  02:19:44  -5.89  -4.47  -414.295986    2      1      
iter:   9  02:21:53  -6.21  -4.67  -414.295964    2      1      
iter:  10  02:24:02  -6.53  -4.34  -414.295910    2      1      
iter:  11  02:26:12  -6.82  -4.78  -414.295942    2      1      
iter:  12  02:28:21  -7.15  -4.95  -414.295907    2      1      
iter:  13  02:30:29  -7.32  -5.07  -414.295967    2      1      
iter:  14  02:32:38  -7.71  -5.13  -414.295932    2      1      

Converged after 14 iterations.

Dipole moment: (-55.960961, -33.020427, 0.310666) |e|*Ang

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

Kinetic:        +19.068957
Potential:     -136.872046
External:        +0.000000
XC:            -306.257045
Entropy (-ST):   -1.545009
Local:          +10.536706
--------------------------
Free energy:   -415.068437
Extrapolated:  -414.295932

Fermi level: -6.27530

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.35830    0.15474
  0   340     -6.33138    0.14147
  0   341     -6.32945    0.14048
  0   342     -6.29308    0.12096

  1   339     -6.25349    0.19808
  1   340     -6.20292    0.14514
  1   341     -6.16271    0.10885
  1   342     -6.16086    0.10733



Forces in eV/Ang:
  0 O     0.00000   -0.01785    1.17322
  1 Pt   -0.00000    0.01150   -0.38196
  2 Pt    0.00000   -0.01911   -0.43769
  3 O    -1.68230   -0.00025   -0.71941
  4 O     1.68230   -0.00025   -0.71941
  5 O     0.00000   -0.01063   -1.41452
  6 O     0.00000   -0.00268    1.77403
  7 Pt   -0.00000    0.01257    0.45229
  8 Pt    0.00000   -0.04292    0.80879
  9 O    -1.58063    0.00160    0.04868
 10 O     1.58063    0.00160    0.04868
 11 O     0.00000   -0.00880   -0.55695
 12 O    -0.00000    0.00515    0.01708
 13 Pt   -0.00000    0.02068    0.00119
 14 Pt    0.00000   -0.02165   -0.00028
 15 O    -0.00328    0.00923    0.00197
 16 O     0.00328    0.00923    0.00197
 17 O     0.00000   -0.07793   -0.06024
 18 O    -0.00000    0.00119    0.01109
 19 Pt    0.00000   -0.04063   -0.00782
 20 Pt   -0.00000    0.12756    0.06817
 21 O    -0.05148    0.07305    0.06128
 22 O     0.05148    0.07305    0.06128
 23 O     0.00000   -0.01768    0.00304
 24 O    -0.00000    0.00067    1.15203
 25 Pt   -0.00000    0.00297   -0.38466
 26 Pt   -0.00000    0.00011   -0.43552
 27 O    -1.69071    0.01387   -0.71877
 28 O     1.69071    0.01387   -0.71877
 29 O    -0.00000    0.05954   -1.38294
 30 O     0.00000   -0.00552    1.83516
 31 Pt   -0.00000    0.02036    0.51213
 32 Pt    0.00000   -0.19022    0.53917
 33 O    -1.61352   -0.01982    0.06812
 34 O     1.61352   -0.01982    0.06812
 35 O     0.00000   -0.03258   -0.52014
 36 O    -0.00000    0.03191   -0.03661
 37 Pt    0.00000   -0.02890   -0.00510
 38 Pt    0.00000   -0.00359   -0.01015
 39 O     0.00788    0.01364    0.01469
 40 O    -0.00788    0.01364    0.01469
 41 O     0.00000    0.00913   -0.01087
 42 O    -0.00000    0.01792   -0.00990
 43 Pt   -0.00000    0.01136   -0.01983
 44 Pt   -0.00000    0.02423   -0.00483
 45 O    -0.01704   -0.03408    0.00940
 46 O     0.01704   -0.03408    0.00940
 47 O     0.00000   -0.02922   -0.01127
 48 O    -0.00000    0.02118    1.17394
 49 Pt    0.00000   -0.02306   -0.38805
 50 Pt   -0.00000    0.02094   -0.43754
 51 O    -1.68892   -0.01392   -0.71990
 52 O     1.68892   -0.01392   -0.71990
 53 O     0.00000   -0.02464   -1.39811
 54 O     0.00000   -0.00102    1.77814
 55 Pt    0.00000   -0.01197    0.51549
 56 Pt   -0.00000    0.17082    0.61505
 57 O    -1.61227    0.01390    0.09976
 58 O     1.61227    0.01390    0.09976
 59 O     0.00000   -0.02130   -0.51167
 60 O     0.00000   -0.02654   -0.03663
 61 Pt   -0.00000    0.01139    0.00903
 62 Pt   -0.00000    0.01761   -0.00445
 63 O    -0.00092   -0.00797    0.00159
 64 O     0.00092   -0.00797    0.00159
 65 O     0.00000   -0.00486   -0.00191
 66 O     0.00000    0.00524    0.00171
 67 Pt   -0.00000    0.00568    0.00200
 68 Pt   -0.00000    0.05873   -0.03160
 69 O    -0.00211   -0.00428    0.00339
 70 O     0.00211   -0.00428    0.00339
 71 O    -0.00000    0.01244   -0.00765
 72 N     0.00000   -0.17421   -0.50714
 73 N     0.00000   -0.05670    0.57894

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    2.077521   24.343244    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.802271   23.268896    ( 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  02:46:49  -3.58   +inf  -414.301390    3      1      
iter:   2  02:48:58  -3.93  -3.25  -414.449230    3      1      
iter:   3  02:51:10  -4.23  -2.51  -414.298598    3      1      
iter:   4  02:53:23  -4.78  -4.03  -414.297275    3      1      
iter:   5  02:55:36  -5.09  -4.15  -414.297563    3      1      
iter:   6  02:57:49  -5.30  -4.44  -414.297558    3      1      
iter:   7  03:00:01  -5.47  -4.48  -414.297559    2      1      
iter:   8  03:02:14  -5.84  -4.63  -414.297520    2      1      
iter:   9  03:04:27  -6.19  -4.77  -414.297426    2      1      
iter:  10  03:06:41  -6.54  -4.77  -414.297574    2      1      
iter:  11  03:08:54  -6.84  -4.87  -414.297391    2      1      
iter:  12  03:11:06  -7.04  -4.88  -414.297517    2      1      
iter:  13  03:13:19  -7.31  -4.94  -414.297516    2      1      
iter:  14  03:15:32  -7.70  -5.33  -414.297522    2      1      

Converged after 14 iterations.

Dipole moment: (-55.960965, -33.021403, 0.310532) |e|*Ang

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

Kinetic:        +19.069404
Potential:     -136.880599
External:        +0.000000
XC:            -306.249353
Entropy (-ST):   -1.545073
Local:          +10.535563
--------------------------
Free energy:   -415.070059
Extrapolated:  -414.297522

Fermi level: -6.27542

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.35846    0.15476
  0   340     -6.33143    0.14144
  0   341     -6.32951    0.14045
  0   342     -6.29331    0.12102

  1   339     -6.25357    0.19804
  1   340     -6.20299    0.14508
  1   341     -6.16280    0.10882
  1   342     -6.16104    0.10738



Forces in eV/Ang:
  0 O     0.00000   -0.01778    1.17352
  1 Pt   -0.00000    0.01135   -0.38151
  2 Pt    0.00000   -0.01911   -0.43682
  3 O    -1.68282   -0.00026   -0.71919
  4 O     1.68282   -0.00026   -0.71919
  5 O     0.00000   -0.01073   -1.41404
  6 O     0.00000   -0.00272    1.77299
  7 Pt   -0.00000    0.01263    0.45160
  8 Pt    0.00000   -0.04265    0.80788
  9 O    -1.58066    0.00155    0.04824
 10 O     1.58066    0.00155    0.04824
 11 O     0.00000   -0.00879   -0.55692
 12 O    -0.00000    0.00586    0.01813
 13 Pt   -0.00000    0.02009    0.00046
 14 Pt    0.00000   -0.02164   -0.00059
 15 O    -0.00303    0.00919    0.00173
 16 O     0.00303    0.00919    0.00173
 17 O     0.00000   -0.06528   -0.06359
 18 O    -0.00000    0.00101    0.01133
 19 Pt    0.00000   -0.04114   -0.01125
 20 Pt   -0.00000    0.10205    0.06946
 21 O    -0.05112    0.07375    0.05824
 22 O     0.05112    0.07375    0.05824
 23 O     0.00000   -0.01770    0.00167
 24 O    -0.00000    0.00062    1.15230
 25 Pt   -0.00000    0.00314   -0.38423
 26 Pt   -0.00000    0.00011   -0.43468
 27 O    -1.69124    0.01388   -0.71857
 28 O     1.69124    0.01388   -0.71857
 29 O    -0.00000    0.05943   -1.38279
 30 O     0.00000   -0.00546    1.83400
 31 Pt   -0.00000    0.02033    0.51155
 32 Pt    0.00000   -0.18985    0.53897
 33 O    -1.61349   -0.01984    0.06763
 34 O     1.61349   -0.01984    0.06763
 35 O     0.00000   -0.03261   -0.52012
 36 O    -0.00000    0.03273   -0.03716
 37 Pt    0.00000   -0.03175   -0.00614
 38 Pt    0.00000   -0.00372   -0.01026
 39 O     0.00784    0.01373    0.01440
 40 O    -0.00784    0.01373    0.01440
 41 O     0.00000    0.00896   -0.01190
 42 O    -0.00000    0.01780   -0.00984
 43 Pt   -0.00000    0.01167   -0.02058
 44 Pt   -0.00000    0.02282   -0.00729
 45 O    -0.02130   -0.03954    0.01404
 46 O     0.02130   -0.03954    0.01404
 47 O     0.00000   -0.02902   -0.01240
 48 O    -0.00000    0.02116    1.17423
 49 Pt    0.00000   -0.02302   -0.38754
 50 Pt   -0.00000    0.02094   -0.43667
 51 O    -1.68945   -0.01391   -0.71967
 52 O     1.68945   -0.01391   -0.71967
 53 O     0.00000   -0.02463   -1.39807
 54 O     0.00000   -0.00105    1.77696
 55 Pt    0.00000   -0.01198    0.51474
 56 Pt   -0.00000    0.17060    0.61483
 57 O    -1.61225    0.01390    0.09916
 58 O     1.61225    0.01390    0.09916
 59 O     0.00000   -0.02128   -0.51174
 60 O     0.00000   -0.02765   -0.03729
 61 Pt   -0.00000    0.01149    0.00796
 62 Pt   -0.00000    0.01777   -0.00445
 63 O    -0.00090   -0.00802    0.00134
 64 O     0.00090   -0.00802    0.00134
 65 O     0.00000   -0.00481   -0.00297
 66 O     0.00000    0.00547    0.00192
 67 Pt   -0.00000    0.00589    0.00078
 68 Pt   -0.00000    0.05857   -0.03479
 69 O    -0.00243   -0.00426    0.00201
 70 O     0.00243   -0.00426    0.00201
 71 O    -0.00000    0.01218   -0.00873
 72 N     0.00000   -0.18300   -0.49623
 73 N     0.00000   -0.04048    0.58704

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    2.081167   24.344023    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.793673   23.272952    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:28:59  -3.57   +inf  -414.297234    3      1      
iter:   2  03:31:08  -4.22  -3.87  -414.301476    3      1      
iter:   3  03:33:19  -4.62  -3.69  -414.299564    3      1      
iter:   4  03:35:29  -4.96  -3.66  -414.298688    2      1      
iter:   5  03:37:39  -5.21  -4.46  -414.298947    2      1      
iter:   6  03:39:47  -5.30  -4.38  -414.298989    2      1      
iter:   7  03:41:57  -5.54  -4.30  -414.298905    2      1      
iter:   8  03:44:05  -5.90  -4.64  -414.298749    2      1      
iter:   9  03:46:12  -6.26  -4.84  -414.298974    2      1      
iter:  10  03:48:19  -6.57  -4.53  -414.298741    2      1      
iter:  11  03:50:27  -6.83  -4.77  -414.298751    2      1      
iter:  12  03:52:34  -7.05  -4.90  -414.298836    2      1      
iter:  13  03:54:42  -7.40  -5.30  -414.298827    2      1      

Converged after 13 iterations.

Dipole moment: (-55.960970, -33.021984, 0.309662) |e|*Ang

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

Kinetic:        +19.040577
Potential:     -136.862622
External:        +0.000000
XC:            -306.239074
Entropy (-ST):   -1.545223
Local:          +10.534904
--------------------------
Free energy:   -415.071439
Extrapolated:  -414.298827

Fermi level: -6.27610

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.35912    0.15476
  0   340     -6.33213    0.14145
  0   341     -6.33020    0.14046
  0   342     -6.29406    0.12106

  1   339     -6.25425    0.19805
  1   340     -6.20366    0.14509
  1   341     -6.16341    0.10877
  1   342     -6.16178    0.10744



Forces in eV/Ang:
  0 O     0.00000   -0.01773    1.17354
  1 Pt   -0.00000    0.01120   -0.38132
  2 Pt    0.00000   -0.01912   -0.43671
  3 O    -1.68256   -0.00027   -0.71919
  4 O     1.68256   -0.00027   -0.71919
  5 O     0.00000   -0.01081   -1.41355
  6 O     0.00000   -0.00271    1.77370
  7 Pt   -0.00000    0.01263    0.45196
  8 Pt    0.00000   -0.04234    0.80761
  9 O    -1.58073    0.00149    0.04841
 10 O     1.58073    0.00149    0.04841
 11 O     0.00000   -0.00879   -0.55672
 12 O    -0.00000    0.00655    0.02001
 13 Pt   -0.00000    0.02009    0.00070
 14 Pt    0.00000   -0.02182   -0.00019
 15 O    -0.00288    0.00920    0.00181
 16 O     0.00288    0.00920    0.00181
 17 O     0.00000   -0.05226   -0.06856
 18 O    -0.00000    0.00096    0.01171
 19 Pt    0.00000   -0.04131   -0.01215
 20 Pt   -0.00000    0.07451    0.07274
 21 O    -0.05155    0.07472    0.05671
 22 O     0.05155    0.07472    0.05671
 23 O     0.00000   -0.01757    0.00163
 24 O    -0.00000    0.00059    1.15228
 25 Pt   -0.00000    0.00330   -0.38400
 26 Pt   -0.00000    0.00010   -0.43458
 27 O    -1.69100    0.01387   -0.71856
 28 O     1.69100    0.01387   -0.71856
 29 O    -0.00000    0.05925   -1.38258
 30 O     0.00000   -0.00551    1.83485
 31 Pt   -0.00000    0.02037    0.51191
 32 Pt    0.00000   -0.18939    0.53962
 33 O    -1.61357   -0.01981    0.06772
 34 O     1.61357   -0.01981    0.06772
 35 O     0.00000   -0.03261   -0.51977
 36 O    -0.00000    0.03454   -0.03768
 37 Pt    0.00000   -0.03504   -0.00614
 38 Pt    0.00000   -0.00351   -0.01011
 39 O     0.00797    0.01373    0.01450
 40 O    -0.00797    0.01373    0.01450
 41 O     0.00000    0.00881   -0.01104
 42 O    -0.00000    0.01771   -0.00948
 43 Pt   -0.00000    0.01180   -0.01879
 44 Pt   -0.00000    0.02033   -0.00586
 45 O    -0.02544   -0.04495    0.02126
 46 O     0.02544   -0.04495    0.02126
 47 O     0.00000   -0.02909   -0.01236
 48 O    -0.00000    0.02115    1.17422
 49 Pt    0.00000   -0.02298   -0.38728
 50 Pt   -0.00000    0.02096   -0.43656
 51 O    -1.68921   -0.01391   -0.71967
 52 O     1.68921   -0.01391   -0.71967
 53 O     0.00000   -0.02458   -1.39815
 54 O     0.00000   -0.00099    1.77776
 55 Pt    0.00000   -0.01200    0.51527
 56 Pt   -0.00000    0.17026    0.61575
 57 O    -1.61232    0.01385    0.09921
 58 O     1.61232    0.01385    0.09921
 59 O     0.00000   -0.02127   -0.51132
 60 O     0.00000   -0.02967   -0.03799
 61 Pt   -0.00000    0.01157    0.00728
 62 Pt   -0.00000    0.01777   -0.00428
 63 O    -0.00114   -0.00802    0.00135
 64 O     0.00114   -0.00802    0.00135
 65 O     0.00000   -0.00506   -0.00316
 66 O     0.00000    0.00551    0.00223
 67 Pt   -0.00000    0.00600    0.00134
 68 Pt   -0.00000    0.06028   -0.03431
 69 O    -0.00219   -0.00454    0.00228
 70 O     0.00219   -0.00454    0.00228
 71 O    -0.00000    0.01200   -0.00855
 72 N     0.00000   -0.19570   -0.48358
 73 N    -0.00000    0.04115    0.54046

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    2.084431   24.344422    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.785918   23.277244    ( 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  04:08:35  -3.64   +inf  -414.299506    3      1      
iter:   2  04:10:46  -4.29  -4.07  -414.300187    3      1      
iter:   3  04:12:56  -4.69  -3.54  -414.299198    2      1      
iter:   4  04:15:06  -5.02  -3.93  -414.299978    2      1      
iter:   5  04:17:16  -5.24  -4.23  -414.299438    3      1      
iter:   6  04:19:27  -5.43  -4.17  -414.299561    2      1      
iter:   7  04:21:37  -5.61  -4.29  -414.299553    2      1      
iter:   8  04:23:47  -6.03  -4.88  -414.299519    2      1      
iter:   9  04:25:55  -6.44  -4.78  -414.299563    2      1      
iter:  10  04:28:03  -6.66  -4.48  -414.299460    2      1      
iter:  11  04:30:11  -7.02  -5.11  -414.299515    2      1      
iter:  12  04:32:17  -7.31  -5.20  -414.299427    2      1      
iter:  13  04:34:16  -7.62  -5.28  -414.299491    2      1      

Converged after 13 iterations.

Dipole moment: (-55.960995, -33.022487, 0.308600) |e|*Ang

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

Kinetic:        +19.121547
Potential:     -136.929356
External:        +0.000000
XC:            -306.252763
Entropy (-ST):   -1.545299
Local:          +10.533730
--------------------------
Free energy:   -415.072141
Extrapolated:  -414.299491

Fermi level: -6.27707

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36008    0.15475
  0   340     -6.33311    0.14145
  0   341     -6.33119    0.14046
  0   342     -6.29512    0.12111

  1   339     -6.25520    0.19801
  1   340     -6.20464    0.14508
  1   341     -6.16431    0.10871
  1   342     -6.16283    0.10750



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17335
  1 Pt   -0.00000    0.01103   -0.38153
  2 Pt    0.00000   -0.01912   -0.43731
  3 O    -1.68261   -0.00028   -0.71938
  4 O     1.68261   -0.00028   -0.71938
  5 O     0.00000   -0.01090   -1.41336
  6 O     0.00000   -0.00275    1.77363
  7 Pt   -0.00000    0.01274    0.45190
  8 Pt    0.00000   -0.04212    0.80694
  9 O    -1.58074    0.00148    0.04843
 10 O     1.58074    0.00148    0.04843
 11 O     0.00000   -0.00879   -0.55674
 12 O    -0.00000    0.00709    0.02102
 13 Pt   -0.00000    0.01979    0.00015
 14 Pt    0.00000   -0.02178   -0.00022
 15 O    -0.00269    0.00924    0.00180
 16 O     0.00269    0.00924    0.00180
 17 O     0.00000   -0.04123   -0.07420
 18 O    -0.00000    0.00085    0.01191
 19 Pt    0.00000   -0.04144   -0.01118
 20 Pt   -0.00000    0.05186    0.07739
 21 O    -0.05256    0.07717    0.05816
 22 O     0.05256    0.07717    0.05816
 23 O     0.00000   -0.01799    0.00234
 24 O    -0.00000    0.00057    1.15202
 25 Pt   -0.00000    0.00349   -0.38424
 26 Pt   -0.00000    0.00013   -0.43523
 27 O    -1.69106    0.01388   -0.71877
 28 O     1.69106    0.01388   -0.71877
 29 O    -0.00000    0.05912   -1.38266
 30 O     0.00000   -0.00547    1.83460
 31 Pt   -0.00000    0.02029    0.51198
 32 Pt    0.00000   -0.18898    0.53991
 33 O    -1.61352   -0.01986    0.06772
 34 O     1.61352   -0.01986    0.06772
 35 O     0.00000   -0.03263   -0.51973
 36 O    -0.00000    0.03540   -0.03805
 37 Pt    0.00000   -0.03799   -0.00683
 38 Pt    0.00000   -0.00353   -0.00992
 39 O     0.00788    0.01376    0.01444
 40 O    -0.00788    0.01376    0.01444
 41 O     0.00000    0.00889   -0.01121
 42 O    -0.00000    0.01785   -0.00952
 43 Pt   -0.00000    0.01196   -0.01648
 44 Pt   -0.00000    0.01904   -0.00369
 45 O    -0.02910   -0.05064    0.02700
 46 O     0.02910   -0.05064    0.02700
 47 O     0.00000   -0.02904   -0.01176
 48 O    -0.00000    0.02113    1.17397
 49 Pt    0.00000   -0.02295   -0.38746
 50 Pt   -0.00000    0.02093   -0.43719
 51 O    -1.68931   -0.01391   -0.71984
 52 O     1.68931   -0.01391   -0.71984
 53 O     0.00000   -0.02453   -1.39830
 54 O     0.00000   -0.00100    1.77747
 55 Pt    0.00000   -0.01200    0.51518
 56 Pt   -0.00000    0.16999    0.61607
 57 O    -1.61227    0.01385    0.09911
 58 O     1.61227    0.01385    0.09911
 59 O     0.00000   -0.02124   -0.51135
 60 O     0.00000   -0.03078   -0.03847
 61 Pt   -0.00000    0.01167    0.00637
 62 Pt   -0.00000    0.01778   -0.00398
 63 O    -0.00121   -0.00809    0.00144
 64 O     0.00121   -0.00809    0.00144
 65 O     0.00000   -0.00518   -0.00304
 66 O     0.00000    0.00544    0.00233
 67 Pt   -0.00000    0.00613    0.00277
 68 Pt   -0.00000    0.06131   -0.03097
 69 O    -0.00216   -0.00457    0.00294
 70 O     0.00216   -0.00457    0.00294
 71 O    -0.00000    0.01210   -0.00760
 72 N     0.00000   -0.19376   -0.36910
 73 N    -0.00000    0.09325    0.37450

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    2.087501   24.342930    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.775847   23.285037    ( 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  04:53:05  -3.31   +inf  -414.341008    4      1      
iter:   2  04:55:16  -3.33  -2.86  -415.164949    4      1      
iter:   3  04:57:28  -3.65  -2.16  -414.302830    3      1      
iter:   4  04:59:40  -4.27  -3.14  -414.303178    3      1      
iter:   5  05:01:53  -4.86  -3.74  -414.300922    3      1      
iter:   6  05:04:07  -4.86  -3.76  -414.299426    3      1      
iter:   7  05:06:19  -5.25  -3.99  -414.300098    3      1      
iter:   8  05:08:32  -5.06  -3.87  -414.299818    3      1      
iter:   9  05:10:44  -5.69  -4.32  -414.299726    2      1      
iter:  10  05:12:57  -5.63  -4.29  -414.300137    2      1      
iter:  11  05:15:09  -6.08  -4.23  -414.299325    2      1      
iter:  12  05:17:21  -6.29  -4.08  -414.299833    3      1      
iter:  13  05:19:34  -6.45  -4.46  -414.299733    2      1      
iter:  14  05:21:47  -6.64  -4.66  -414.299645    2      1      
iter:  15  05:23:59  -7.09  -4.55  -414.299641    2      1      
iter:  16  05:26:12  -7.18  -4.72  -414.299581    2      1      
iter:  17  05:28:26  -7.17  -4.69  -414.299816    2      1      
iter:  18  05:30:40  -7.19  -4.76  -414.299613    2      1      
iter:  19  05:32:39  -7.78  -4.70  -414.299656    2      1      

Converged after 19 iterations.

Dipole moment: (-55.961006, -33.023426, 0.307505) |e|*Ang

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

Kinetic:        +19.959584
Potential:     -137.612282
External:        +0.000000
XC:            -306.409637
Entropy (-ST):   -1.545480
Local:          +10.535419
--------------------------
Free energy:   -415.072395
Extrapolated:  -414.299656

Fermi level: -6.27765

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36067    0.15475
  0   340     -6.33379    0.14150
  0   341     -6.33187    0.14052
  0   342     -6.29580    0.12117

  1   339     -6.25582    0.19805
  1   340     -6.20526    0.14512
  1   341     -6.16480    0.10864
  1   342     -6.16355    0.10761



Forces in eV/Ang:
  0 O     0.00000   -0.01761    1.17335
  1 Pt   -0.00000    0.01077   -0.38101
  2 Pt    0.00000   -0.01910   -0.43653
  3 O    -1.68223   -0.00023   -0.71923
  4 O     1.68223   -0.00023   -0.71923
  5 O     0.00000   -0.01098   -1.41301
  6 O     0.00000   -0.00274    1.77497
  7 Pt   -0.00000    0.01279    0.45226
  8 Pt    0.00000   -0.04183    0.80636
  9 O    -1.58077    0.00135    0.04853
 10 O     1.58077    0.00135    0.04853
 11 O     0.00000   -0.00878   -0.55669
 12 O    -0.00000    0.00795    0.02344
 13 Pt   -0.00000    0.02050    0.00045
 14 Pt    0.00000   -0.02194   -0.00004
 15 O    -0.00277    0.00926    0.00195
 16 O     0.00277    0.00926    0.00195
 17 O     0.00000   -0.02636   -0.08288
 18 O     0.00000    0.00046    0.01205
 19 Pt    0.00000   -0.04140   -0.01361
 20 Pt   -0.00000    0.01798    0.06862
 21 O    -0.05426    0.08141    0.05731
 22 O     0.05426    0.08141    0.05731
 23 O     0.00000   -0.01756    0.00160
 24 O     0.00000    0.00048    1.15199
 25 Pt   -0.00000    0.00377   -0.38369
 26 Pt    0.00000    0.00004   -0.43435
 27 O    -1.69071    0.01384   -0.71861
 28 O     1.69071    0.01384   -0.71861
 29 O    -0.00000    0.05890   -1.38282
 30 O     0.00000   -0.00535    1.83628
 31 Pt   -0.00000    0.02027    0.51234
 32 Pt    0.00000   -0.18805    0.54065
 33 O    -1.61351   -0.01980    0.06772
 34 O     1.61351   -0.01980    0.06772
 35 O     0.00000   -0.03262   -0.51970
 36 O    -0.00000    0.03863   -0.03999
 37 Pt    0.00000   -0.04228   -0.00705
 38 Pt    0.00000   -0.00367   -0.00988
 39 O     0.00772    0.01373    0.01451
 40 O    -0.00772    0.01373    0.01451
 41 O     0.00000    0.00882   -0.00838
 42 O    -0.00000    0.01807   -0.00986
 43 Pt   -0.00000    0.01198   -0.01554
 44 Pt   -0.00000    0.01711   -0.00425
 45 O    -0.03610   -0.06047    0.03682
 46 O     0.03610   -0.06047    0.03682
 47 O     0.00000   -0.02953   -0.01201
 48 O    -0.00000    0.02116    1.17395
 49 Pt    0.00000   -0.02291   -0.38672
 50 Pt   -0.00000    0.02099   -0.43628
 51 O    -1.68891   -0.01393   -0.71968
 52 O     1.68891   -0.01393   -0.71968
 53 O     0.00000   -0.02446   -1.39868
 54 O     0.00000   -0.00112    1.77927
 55 Pt    0.00000   -0.01202    0.51552
 56 Pt   -0.00000    0.16925    0.61689
 57 O    -1.61234    0.01384    0.09894
 58 O     1.61234    0.01384    0.09894
 59 O     0.00000   -0.02127   -0.51131
 60 O     0.00000   -0.03413   -0.04050
 61 Pt   -0.00000    0.01172    0.00564
 62 Pt   -0.00000    0.01813   -0.00376
 63 O    -0.00147   -0.00808    0.00145
 64 O     0.00147   -0.00808    0.00145
 65 O     0.00000   -0.00551   -0.00113
 66 O     0.00000    0.00551    0.00193
 67 Pt   -0.00000    0.00616    0.00260
 68 Pt   -0.00000    0.06227   -0.03277
 69 O    -0.00326   -0.00475    0.00187
 70 O     0.00326   -0.00475    0.00187
 71 O    -0.00000    0.01214   -0.00783
 72 N     0.00000   -0.01940    0.32894
 73 N     0.00000   -0.11688   -0.34064

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    2.088622   24.347146    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.782104   23.277062    ( 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  05:39:59  -3.26   +inf  -414.543708    4      1      
iter:   2  05:42:08  -2.58  -2.43  -419.839125    3      1      
iter:   3  05:44:17  -3.00  -1.77  -414.356877    3      1      
iter:   4  05:46:24  -3.59  -2.80  -414.306897    3      1      
iter:   5  05:48:31  -3.95  -3.46  -414.305702    3      1      
iter:   6  05:50:39  -4.51  -3.41  -414.300149    2      1      
iter:   7  05:52:48  -4.93  -3.51  -414.299673    3      1      
iter:   8  05:54:59  -4.84  -3.53  -414.297039    3      1      
iter:   9  05:57:08  -4.74  -3.87  -414.296194    3      1      
iter:  10  05:59:17  -5.05  -3.84  -414.295332    2      1      
iter:  11  06:01:25  -5.66  -4.10  -414.295892    2      1      
iter:  12  06:03:34  -5.67  -4.13  -414.295255    2      1      
iter:  13  06:05:41  -5.74  -4.24  -414.295673    2      1      
iter:  14  06:07:48  -5.96  -4.14  -414.295742    2      1      
iter:  15  06:09:57  -6.23  -4.33  -414.295567    2      1      
iter:  16  06:12:05  -6.44  -4.65  -414.295552    2      1      
iter:  17  06:14:14  -6.76  -4.68  -414.295421    2      1      
iter:  18  06:16:23  -7.38  -4.90  -414.295537    2      1      
iter:  19  06:18:32  -7.69  -4.77  -414.295445    2      1      

Converged after 19 iterations.

Dipole moment: (-55.960946, -33.021360, 0.307912) |e|*Ang

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

Kinetic:        +18.384609
Potential:     -136.346153
External:        +0.000000
XC:            -306.090894
Entropy (-ST):   -1.545504
Local:          +10.529745
--------------------------
Free energy:   -415.068197
Extrapolated:  -414.295445

Fermi level: -6.27759

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36063    0.15476
  0   340     -6.33360    0.14144
  0   341     -6.33168    0.14044
  0   342     -6.29568    0.12113

  1   339     -6.25576    0.19806
  1   340     -6.20511    0.14503
  1   341     -6.16485    0.10872
  1   342     -6.16337    0.10751



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17399
  1 Pt   -0.00000    0.01097   -0.38064
  2 Pt    0.00000   -0.01909   -0.43654
  3 O    -1.68258   -0.00024   -0.71886
  4 O     1.68258   -0.00024   -0.71886
  5 O     0.00000   -0.01093   -1.41328
  6 O     0.00000   -0.00274    1.77334
  7 Pt   -0.00000    0.01272    0.45215
  8 Pt    0.00000   -0.04198    0.80683
  9 O    -1.58088    0.00140    0.04870
 10 O     1.58088    0.00140    0.04870
 11 O     0.00000   -0.00878   -0.55693
 12 O    -0.00000    0.00754    0.02121
 13 Pt   -0.00000    0.02027    0.00023
 14 Pt    0.00000   -0.02193   -0.00009
 15 O    -0.00258    0.00927    0.00208
 16 O     0.00258    0.00927    0.00208
 17 O     0.00000   -0.03542   -0.07569
 18 O    -0.00000    0.00064    0.01183
 19 Pt    0.00000   -0.04139   -0.01611
 20 Pt   -0.00000    0.04065    0.07658
 21 O    -0.05223    0.07642    0.05140
 22 O     0.05223    0.07642    0.05140
 23 O     0.00000   -0.01746    0.00044
 24 O    -0.00000    0.00054    1.15265
 25 Pt   -0.00000    0.00354   -0.38335
 26 Pt   -0.00000    0.00006   -0.43444
 27 O    -1.69105    0.01385   -0.71824
 28 O     1.69105    0.01385   -0.71824
 29 O    -0.00000    0.05908   -1.38255
 30 O     0.00000   -0.00540    1.83455
 31 Pt   -0.00000    0.02033    0.51220
 32 Pt    0.00000   -0.18886    0.53992
 33 O    -1.61364   -0.01983    0.06793
 34 O     1.61364   -0.01983    0.06793
 35 O     0.00000   -0.03261   -0.51994
 36 O    -0.00000    0.03544   -0.03812
 37 Pt    0.00000   -0.03971   -0.00697
 38 Pt    0.00000   -0.00357   -0.01011
 39 O     0.00787    0.01372    0.01466
 40 O    -0.00787    0.01372    0.01466
 41 O     0.00000    0.00851   -0.01154
 42 O    -0.00000    0.01794   -0.00961
 43 Pt   -0.00000    0.01162   -0.01875
 44 Pt   -0.00000    0.01695   -0.00754
 45 O    -0.03027   -0.05071    0.02430
 46 O     0.03027   -0.05071    0.02430
 47 O     0.00000   -0.02849   -0.01399
 48 O    -0.00000    0.02114    1.17460
 49 Pt    0.00000   -0.02293   -0.38652
 50 Pt   -0.00000    0.02096   -0.43636
 51 O    -1.68924   -0.01392   -0.71933
 52 O     1.68924   -0.01392   -0.71933
 53 O     0.00000   -0.02456   -1.39831
 54 O     0.00000   -0.00108    1.77754
 55 Pt    0.00000   -0.01201    0.51538
 56 Pt   -0.00000    0.16988    0.61627
 57 O    -1.61244    0.01386    0.09929
 58 O     1.61244    0.01386    0.09929
 59 O     0.00000   -0.02128   -0.51157
 60 O     0.00000   -0.03120   -0.03871
 61 Pt   -0.00000    0.01181    0.00601
 62 Pt   -0.00000    0.01796   -0.00406
 63 O    -0.00125   -0.00805    0.00162
 64 O     0.00125   -0.00805    0.00162
 65 O     0.00000   -0.00507   -0.00418
 66 O     0.00000    0.00552    0.00219
 67 Pt   -0.00000    0.00625   -0.00124
 68 Pt   -0.00000    0.06225   -0.03728
 69 O    -0.00262   -0.00457   -0.00092
 70 O     0.00262   -0.00457   -0.00092
 71 O    -0.00000    0.01106   -0.01034
 72 N     0.00000   -0.44932   -1.05964
 73 N    -0.00000    0.23149    1.02038

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    2.091621   24.346566    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.774683   23.282282    ( 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  06:34:19  -3.59   +inf  -414.316155    3      1      
iter:   2  06:36:30  -3.67  -3.04  -414.671363    3      1      
iter:   3  06:38:42  -3.92  -2.33  -414.297214    3      1      
iter:   4  06:40:54  -4.53  -3.32  -414.298568    3      1      
iter:   5  06:43:06  -5.10  -4.11  -414.297709    3      1      
iter:   6  06:45:20  -5.20  -4.09  -414.297267    3      1      
iter:   7  06:47:33  -5.53  -4.23  -414.297624    2      1      
iter:   8  06:49:45  -5.51  -4.30  -414.297600    3      1      
iter:   9  06:51:57  -6.06  -4.60  -414.297675    2      1      
iter:  10  06:54:09  -6.06  -4.52  -414.297782    2      1      
iter:  11  06:56:21  -6.68  -4.12  -414.297308    2      1      
iter:  12  06:58:33  -6.69  -4.51  -414.297657    2      1      
iter:  13  07:00:46  -6.80  -4.73  -414.297582    2      1      
iter:  14  07:02:44  -7.07  -4.87  -414.297558    2      1      
iter:  15  07:04:42  -7.48  -4.88  -414.297513    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961010, -33.020594, 0.306257) |e|*Ang

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

Kinetic:        +18.713290
Potential:     -136.611824
External:        +0.000000
XC:            -306.160974
Entropy (-ST):   -1.545681
Local:          +10.534835
--------------------------
Free energy:   -415.070354
Extrapolated:  -414.297513

Fermi level: -6.27905

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36214    0.15479
  0   340     -6.33494    0.14138
  0   341     -6.33303    0.14039
  0   342     -6.29729    0.12121

  1   339     -6.25722    0.19806
  1   340     -6.20649    0.14495
  1   341     -6.16630    0.10871
  1   342     -6.16489    0.10757



Forces in eV/Ang:
  0 O     0.00000   -0.01760    1.17339
  1 Pt   -0.00000    0.01083   -0.38127
  2 Pt    0.00000   -0.01910   -0.43709
  3 O    -1.68287   -0.00024   -0.71931
  4 O     1.68287   -0.00024   -0.71931
  5 O     0.00000   -0.01100   -1.41274
  6 O     0.00000   -0.00274    1.77233
  7 Pt   -0.00000    0.01279    0.45123
  8 Pt    0.00000   -0.04174    0.80614
  9 O    -1.58106    0.00142    0.04847
 10 O     1.58106    0.00142    0.04847
 11 O     0.00000   -0.00879   -0.55729
 12 O    -0.00000    0.00815    0.02303
 13 Pt   -0.00000    0.02001   -0.00129
 14 Pt    0.00000   -0.02201   -0.00091
 15 O    -0.00249    0.00934    0.00166
 16 O     0.00249    0.00934    0.00166
 17 O     0.00000   -0.02419   -0.08321
 18 O    -0.00000    0.00057    0.01272
 19 Pt    0.00000   -0.04086   -0.01249
 20 Pt   -0.00000    0.01393    0.08318
 21 O    -0.05233    0.07822    0.05688
 22 O     0.05233    0.07822    0.05688
 23 O     0.00000   -0.01765    0.00136
 24 O    -0.00000    0.00050    1.15202
 25 Pt   -0.00000    0.00369   -0.38394
 26 Pt   -0.00000    0.00008   -0.43498
 27 O    -1.69134    0.01385   -0.71869
 28 O     1.69134    0.01385   -0.71869
 29 O    -0.00000    0.05892   -1.38253
 30 O     0.00000   -0.00539    1.83350
 31 Pt   -0.00000    0.02029    0.51131
 32 Pt    0.00000   -0.18826    0.54021
 33 O    -1.61381   -0.01988    0.06765
 34 O     1.61381   -0.01988    0.06765
 35 O     0.00000   -0.03259   -0.52017
 36 O    -0.00000    0.03761   -0.03919
 37 Pt    0.00000   -0.04211   -0.00898
 38 Pt    0.00000   -0.00343   -0.01085
 39 O     0.00797    0.01367    0.01422
 40 O    -0.00797    0.01367    0.01422
 41 O     0.00000    0.00860   -0.01311
 42 O    -0.00000    0.01808   -0.00917
 43 Pt   -0.00000    0.01130   -0.01393
 44 Pt   -0.00000    0.01609   -0.00135
 45 O    -0.03385   -0.05706    0.03703
 46 O     0.03385   -0.05706    0.03703
 47 O     0.00000   -0.02941   -0.01132
 48 O    -0.00000    0.02113    1.17398
 49 Pt    0.00000   -0.02290   -0.38707
 50 Pt   -0.00000    0.02096   -0.43691
 51 O    -1.68957   -0.01393   -0.71976
 52 O     1.68957   -0.01393   -0.71976
 53 O     0.00000   -0.02449   -1.39850
 54 O     0.00000   -0.00110    1.77646
 55 Pt    0.00000   -0.01202    0.51454
 56 Pt   -0.00000    0.16942    0.61659
 57 O    -1.61259    0.01383    0.09894
 58 O     1.61259    0.01383    0.09894
 59 O     0.00000   -0.02129   -0.51177
 60 O     0.00000   -0.03344   -0.03986
 61 Pt   -0.00000    0.01184    0.00414
 62 Pt   -0.00000    0.01793   -0.00474
 63 O    -0.00127   -0.00807    0.00124
 64 O     0.00127   -0.00807    0.00124
 65 O     0.00000   -0.00553   -0.00602
 66 O     0.00000    0.00540    0.00264
 67 Pt   -0.00000    0.00628    0.00320
 68 Pt   -0.00000    0.06317   -0.02990
 69 O    -0.00178   -0.00481    0.00335
 70 O     0.00178   -0.00481    0.00335
 71 O    -0.00000    0.01199   -0.00713
 72 N     0.00000   -0.37696   -0.69541
 73 N    -0.00000    0.17667    0.67720

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    2.094985   24.347013    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.767674   23.286386    ( 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  07:28:42  -3.68   +inf  -414.310887    3      1      
iter:   2  07:30:50  -3.72  -3.05  -414.665779    3      1      
iter:   3  07:33:00  -3.95  -2.33  -414.295766    3      1      
iter:   4  07:35:12  -4.61  -3.61  -414.297857    3      1      
iter:   5  07:37:23  -5.14  -4.17  -414.297081    2      1      
iter:   6  07:39:35  -5.38  -4.38  -414.296907    2      1      
iter:   7  07:41:45  -5.70  -4.45  -414.297199    2      1      
iter:   8  07:43:57  -5.82  -4.62  -414.297077    2      1      
iter:   9  07:46:08  -6.25  -4.80  -414.297074    2      1      
iter:  10  07:48:20  -6.59  -4.65  -414.297120    2      1      
iter:  11  07:50:32  -6.84  -4.86  -414.296925    2      1      
iter:  12  07:52:45  -7.10  -4.84  -414.297046    2      1      
iter:  13  07:54:44  -7.37  -5.16  -414.297026    2      1      
iter:  14  07:56:43  -7.63  -5.28  -414.297051    2      1      

Converged after 14 iterations.

Dipole moment: (-55.960979, -33.021512, 0.306229) |e|*Ang

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

Kinetic:        +18.779311
Potential:     -136.669259
External:        +0.000000
XC:            -306.167397
Entropy (-ST):   -1.545722
Local:          +10.533155
--------------------------
Free energy:   -415.069912
Extrapolated:  -414.297051

Fermi level: -6.27901

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36206    0.15477
  0   340     -6.33496    0.14141
  0   341     -6.33305    0.14042
  0   342     -6.29727    0.12123

  1   339     -6.25711    0.19799
  1   340     -6.20651    0.14502
  1   341     -6.16613    0.10862
  1   342     -6.16491    0.10761



Forces in eV/Ang:
  0 O     0.00000   -0.01755    1.17346
  1 Pt   -0.00000    0.01067   -0.38115
  2 Pt    0.00000   -0.01911   -0.43659
  3 O    -1.68300   -0.00026   -0.71914
  4 O     1.68300   -0.00026   -0.71914
  5 O     0.00000   -0.01107   -1.41242
  6 O     0.00000   -0.00273    1.77244
  7 Pt   -0.00000    0.01287    0.45152
  8 Pt    0.00000   -0.04151    0.80552
  9 O    -1.58085    0.00141    0.04866
 10 O     1.58085    0.00141    0.04866
 11 O     0.00000   -0.00877   -0.55672
 12 O    -0.00000    0.00860    0.02452
 13 Pt   -0.00000    0.02088   -0.00029
 14 Pt    0.00000   -0.02211   -0.00038
 15 O    -0.00229    0.00933    0.00207
 16 O     0.00229    0.00933    0.00207
 17 O     0.00000   -0.01447   -0.08732
 18 O    -0.00000    0.00055    0.01288
 19 Pt    0.00000   -0.04138   -0.01483
 20 Pt    0.00000   -0.00635    0.07992
 21 O    -0.05395    0.08044    0.05390
 22 O     0.05395    0.08044    0.05390
 23 O     0.00000   -0.01801    0.00014
 24 O     0.00000    0.00049    1.15204
 25 Pt   -0.00000    0.00388   -0.38381
 26 Pt   -0.00000    0.00010   -0.43456
 27 O    -1.69148    0.01386   -0.71853
 28 O     1.69148    0.01386   -0.71853
 29 O    -0.00000    0.05874   -1.38259
 30 O     0.00000   -0.00543    1.83348
 31 Pt   -0.00000    0.02024    0.51161
 32 Pt    0.00000   -0.18781    0.54079
 33 O    -1.61360   -0.01987    0.06777
 34 O     1.61360   -0.01987    0.06777
 35 O     0.00000   -0.03261   -0.51951
 36 O    -0.00000    0.03961   -0.04006
 37 Pt    0.00000   -0.04567   -0.00800
 38 Pt    0.00000   -0.00335   -0.01043
 39 O     0.00803    0.01371    0.01464
 40 O    -0.00803    0.01371    0.01464
 41 O     0.00000    0.00853   -0.01023
 42 O    -0.00000    0.01798   -0.00903
 43 Pt   -0.00000    0.01174   -0.01497
 44 Pt   -0.00000    0.01462   -0.00496
 45 O    -0.03748   -0.06224    0.03892
 46 O     0.03748   -0.06224    0.03892
 47 O     0.00000   -0.02880   -0.01296
 48 O    -0.00000    0.02110    1.17400
 49 Pt    0.00000   -0.02288   -0.38693
 50 Pt   -0.00000    0.02094   -0.43648
 51 O    -1.68974   -0.01393   -0.71960
 52 O     1.68974   -0.01393   -0.71960
 53 O     0.00000   -0.02440   -1.39875
 54 O     0.00000   -0.00105    1.77640
 55 Pt    0.00000   -0.01203    0.51490
 56 Pt   -0.00000    0.16906    0.61739
 57 O    -1.61233    0.01378    0.09900
 58 O     1.61233    0.01378    0.09900
 59 O     0.00000   -0.02128   -0.51104
 60 O     0.00000   -0.03570   -0.04086
 61 Pt   -0.00000    0.01192    0.00398
 62 Pt   -0.00000    0.01796   -0.00434
 63 O    -0.00138   -0.00808    0.00154
 64 O     0.00138   -0.00808    0.00154
 65 O     0.00000   -0.00562   -0.00378
 66 O     0.00000    0.00543    0.00274
 67 Pt   -0.00000    0.00639    0.00231
 68 Pt   -0.00000    0.06467   -0.03305
 69 O    -0.00255   -0.00496    0.00152
 70 O     0.00255   -0.00496    0.00152
 71 O    -0.00000    0.01156   -0.00834
 72 N     0.00000   -0.38794   -0.63448
 73 N    -0.00000    0.24199    0.58725

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    2.097772   24.346766    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.762054   23.290646    ( 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  08:15:26  -3.79   +inf  -414.308909    3      1      
iter:   2  08:17:34  -3.79  -3.09  -414.621792    3      1      
iter:   3  08:19:43  -4.05  -2.36  -414.295829    3      1      
iter:   4  08:21:51  -4.74  -3.68  -414.297667    3      1      
iter:   5  08:23:58  -5.26  -4.23  -414.296876    3      1      
iter:   6  08:26:06  -5.40  -4.28  -414.296750    3      1      
iter:   7  08:28:12  -5.69  -4.25  -414.297002    2      1      
iter:   8  08:30:19  -5.75  -4.42  -414.296949    3      1      
iter:   9  08:32:26  -6.35  -4.75  -414.297001    2      1      
iter:  10  08:34:34  -6.40  -4.61  -414.297053    2      1      
iter:  11  08:36:43  -6.93  -4.38  -414.296757    2      1      
iter:  12  08:38:53  -6.94  -4.66  -414.296975    2      1      
iter:  13  08:41:02  -7.07  -4.87  -414.296937    2      1      
iter:  14  08:43:00  -7.42  -5.05  -414.296926    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961019, -33.021025, 0.304722) |e|*Ang

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

Kinetic:        +19.046135
Potential:     -136.891588
External:        +0.000000
XC:            -306.212636
Entropy (-ST):   -1.545869
Local:          +10.534097
--------------------------
Free energy:   -415.069861
Extrapolated:  -414.296926

Fermi level: -6.28041

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36348    0.15478
  0   340     -6.33632    0.14139
  0   341     -6.33440    0.14040
  0   342     -6.29879    0.12130

  1   339     -6.25850    0.19798
  1   340     -6.20786    0.14498
  1   341     -6.16749    0.10858
  1   342     -6.16638    0.10767



Forces in eV/Ang:
  0 O     0.00000   -0.01752    1.17338
  1 Pt   -0.00000    0.01050   -0.38153
  2 Pt    0.00000   -0.01910   -0.43759
  3 O    -1.68308   -0.00024   -0.71944
  4 O     1.68308   -0.00024   -0.71944
  5 O     0.00000   -0.01112   -1.41216
  6 O     0.00000   -0.00274    1.77181
  7 Pt   -0.00000    0.01287    0.45124
  8 Pt    0.00000   -0.04135    0.80488
  9 O    -1.58096    0.00132    0.04862
 10 O     1.58096    0.00132    0.04862
 11 O     0.00000   -0.00877   -0.55718
 12 O    -0.00000    0.00908    0.02577
 13 Pt   -0.00000    0.02126   -0.00171
 14 Pt    0.00000   -0.02215   -0.00092
 15 O    -0.00223    0.00938    0.00176
 16 O     0.00223    0.00938    0.00176
 17 O     0.00000   -0.00650   -0.09495
 18 O     0.00000    0.00037    0.01301
 19 Pt    0.00000   -0.04123   -0.01369
 20 Pt    0.00000   -0.02467    0.08107
 21 O    -0.05477    0.08265    0.05614
 22 O     0.05477    0.08265    0.05614
 23 O     0.00000   -0.01784    0.00091
 24 O     0.00000    0.00044    1.15192
 25 Pt   -0.00000    0.00405   -0.38419
 26 Pt    0.00000    0.00006   -0.43551
 27 O    -1.69157    0.01385   -0.71883
 28 O     1.69157    0.01385   -0.71883
 29 O    -0.00000    0.05861   -1.38263
 30 O     0.00000   -0.00539    1.83304
 31 Pt   -0.00000    0.02025    0.51137
 32 Pt    0.00000   -0.18732    0.54093
 33 O    -1.61368   -0.01983    0.06769
 34 O     1.61368   -0.01983    0.06769
 35 O     0.00000   -0.03261   -0.51996
 36 O    -0.00000    0.04077   -0.04085
 37 Pt    0.00000   -0.04796   -0.00970
 38 Pt    0.00000   -0.00337   -0.01098
 39 O     0.00801    0.01368    0.01430
 40 O    -0.00801    0.01368    0.01430
 41 O     0.00000    0.00836   -0.01134
 42 O    -0.00000    0.01832   -0.00920
 43 Pt   -0.00000    0.01164   -0.01209
 44 Pt   -0.00000    0.01278   -0.00054
 45 O    -0.04098   -0.06721    0.04659
 46 O     0.04098   -0.06721    0.04659
 47 O     0.00000   -0.02908   -0.01170
 48 O    -0.00000    0.02113    1.17389
 49 Pt    0.00000   -0.02286   -0.38719
 50 Pt   -0.00000    0.02097   -0.43742
 51 O    -1.68982   -0.01393   -0.71988
 52 O     1.68982   -0.01393   -0.71988
 53 O     0.00000   -0.02434   -1.39889
 54 O     0.00000   -0.00109    1.77599
 55 Pt    0.00000   -0.01203    0.51462
 56 Pt   -0.00000    0.16865    0.61757
 57 O    -1.61248    0.01378    0.09879
 58 O     1.61248    0.01378    0.09879
 59 O     0.00000   -0.02128   -0.51153
 60 O     0.00000   -0.03695   -0.04174
 61 Pt   -0.00000    0.01196    0.00220
 62 Pt   -0.00000    0.01805   -0.00483
 63 O    -0.00163   -0.00811    0.00127
 64 O     0.00163   -0.00811    0.00127
 65 O     0.00000   -0.00567   -0.00513
 66 O     0.00000    0.00524    0.00262
 67 Pt   -0.00000    0.00639    0.00398
 68 Pt   -0.00000    0.06608   -0.02920
 69 O    -0.00224   -0.00509    0.00310
 70 O     0.00224   -0.00509    0.00310
 71 O    -0.00000    0.01162   -0.00713
 72 N     0.00000   -0.30881   -0.41242
 73 N    -0.00000    0.18974    0.36276

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    2.101442   24.347879    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.755166   23.294431    ( 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  08:57:26  -3.66   +inf  -414.294383    3      1      
iter:   2  08:59:35  -4.18  -3.44  -414.342791    3      1      
iter:   3  09:01:43  -4.47  -2.79  -414.298410    2      1      
iter:   4  09:03:50  -4.92  -3.61  -414.295381    3      1      
iter:   5  09:05:57  -5.23  -4.10  -414.295528    3      1      
iter:   6  09:08:05  -5.31  -4.03  -414.295448    3      1      
iter:   7  09:10:13  -5.51  -4.46  -414.295289    2      1      
iter:   8  09:12:22  -5.84  -4.57  -414.295274    2      1      
iter:   9  09:14:31  -6.22  -4.71  -414.295094    2      1      
iter:  10  09:16:40  -6.74  -4.71  -414.295371    2      1      
iter:  11  09:18:49  -6.96  -4.70  -414.295187    2      1      
iter:  12  09:20:58  -7.16  -4.65  -414.295186    2      1      
iter:  13  09:23:07  -7.38  -4.96  -414.295244    2      1      
iter:  14  09:25:05  -7.57  -5.10  -414.295260    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961011, -33.021359, 0.304410) |e|*Ang

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

Kinetic:        +18.919195
Potential:     -136.793837
External:        +0.000000
XC:            -306.180242
Entropy (-ST):   -1.546021
Local:          +10.532634
--------------------------
Free energy:   -415.068270
Extrapolated:  -414.295260

Fermi level: -6.28028

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36324    0.15472
  0   340     -6.33642    0.14151
  0   341     -6.33451    0.14052
  0   342     -6.29864    0.12128

  1   339     -6.25837    0.19797
  1   340     -6.20789    0.14512
  1   341     -6.16721    0.10846
  1   342     -6.16635    0.10776



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17341
  1 Pt   -0.00000    0.01033   -0.38089
  2 Pt    0.00000   -0.01912   -0.43649
  3 O    -1.68221   -0.00025   -0.71921
  4 O     1.68221   -0.00025   -0.71921
  5 O     0.00000   -0.01119   -1.41201
  6 O     0.00000   -0.00276    1.77519
  7 Pt   -0.00000    0.01296    0.45242
  8 Pt    0.00000   -0.04114    0.80480
  9 O    -1.58075    0.00134    0.04881
 10 O     1.58075    0.00134    0.04881
 11 O     0.00000   -0.00877   -0.55688
 12 O    -0.00000    0.00966    0.02686
 13 Pt   -0.00000    0.02236   -0.00015
 14 Pt    0.00000   -0.02219    0.00006
 15 O    -0.00239    0.00941    0.00221
 16 O     0.00239    0.00941    0.00221
 17 O    -0.00000    0.00302   -0.09930
 18 O     0.00000    0.00032    0.01227
 19 Pt    0.00000   -0.04179   -0.01627
 20 Pt    0.00000   -0.04539    0.07711
 21 O    -0.05652    0.08548    0.05177
 22 O     0.05652    0.08548    0.05177
 23 O     0.00000   -0.01787   -0.00054
 24 O     0.00000    0.00043    1.15192
 25 Pt   -0.00000    0.00423   -0.38355
 26 Pt   -0.00000    0.00008   -0.43447
 27 O    -1.69071    0.01385   -0.71860
 28 O     1.69071    0.01385   -0.71860
 29 O    -0.00000    0.05845   -1.38285
 30 O     0.00000   -0.00536    1.83629
 31 Pt   -0.00000    0.02020    0.51261
 32 Pt    0.00000   -0.18681    0.54197
 33 O    -1.61344   -0.01986    0.06784
 34 O     1.61344   -0.01986    0.06784
 35 O     0.00000   -0.03263   -0.51955
 36 O    -0.00000    0.04321   -0.04228
 37 Pt    0.00000   -0.05125   -0.00845
 38 Pt    0.00000   -0.00341   -0.01001
 39 O     0.00772    0.01369    0.01477
 40 O    -0.00772    0.01369    0.01477
 41 O     0.00000    0.00846   -0.00686
 42 O    -0.00000    0.01811   -0.00992
 43 Pt   -0.00000    0.01199   -0.01290
 44 Pt   -0.00000    0.01094   -0.00432
 45 O    -0.04531   -0.07330    0.04851
 46 O     0.04531   -0.07330    0.04851
 47 O     0.00000   -0.02860   -0.01364
 48 O    -0.00000    0.02110    1.17390
 49 Pt    0.00000   -0.02283   -0.38650
 50 Pt   -0.00000    0.02096   -0.43637
 51 O    -1.68898   -0.01393   -0.71966
 52 O     1.68898   -0.01393   -0.71966
 53 O     0.00000   -0.02425   -1.39929
 54 O     0.00000   -0.00109    1.77919
 55 Pt    0.00000   -0.01205    0.51584
 56 Pt   -0.00000    0.16823    0.61874
 57 O    -1.61222    0.01375    0.09882
 58 O     1.61222    0.01375    0.09882
 59 O     0.00000   -0.02126   -0.51115
 60 O     0.00000   -0.03970   -0.04335
 61 Pt   -0.00000    0.01203    0.00271
 62 Pt   -0.00000    0.01814   -0.00378
 63 O    -0.00195   -0.00814    0.00164
 64 O     0.00195   -0.00814    0.00164
 65 O     0.00000   -0.00609   -0.00134
 66 O     0.00000    0.00541    0.00192
 67 Pt   -0.00000    0.00656    0.00270
 68 Pt   -0.00000    0.06745   -0.03339
 69 O    -0.00353   -0.00515    0.00014
 70 O     0.00353   -0.00515    0.00014
 71 O    -0.00000    0.01115   -0.00889
 72 N     0.00000   -0.30233   -0.49385
 73 N    -0.00000    0.21424    0.43370

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    2.104094   24.346847    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.749375   23.299863    ( 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  09:42:09  -3.67   +inf  -414.300408    3      1      
iter:   2  09:44:20  -4.27  -3.50  -414.296581    3      1      
iter:   3  09:46:32  -4.61  -3.23  -414.298498    3      1      
iter:   4  09:48:44  -4.97  -3.28  -414.295810    3      1      
iter:   5  09:50:55  -5.27  -4.12  -414.295271    3      1      
iter:   6  09:53:07  -5.10  -3.89  -414.295116    3      1      
iter:   7  09:55:19  -5.23  -4.08  -414.295196    3      1      
iter:   8  09:57:30  -5.69  -4.50  -414.295237    2      1      
iter:   9  09:59:43  -6.19  -4.53  -414.294819    2      1      
iter:  10  10:01:55  -6.36  -4.20  -414.295236    2      1      
iter:  11  10:04:06  -6.68  -4.63  -414.294980    2      1      
iter:  12  10:06:18  -6.86  -4.51  -414.295114    2      1      
iter:  13  10:08:16  -7.00  -4.76  -414.295035    2      1      
iter:  14  10:10:15  -7.19  -5.06  -414.295061    2      1      
iter:  15  10:12:13  -7.52  -5.23  -414.295090    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961053, -33.020866, 0.302937) |e|*Ang

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

Kinetic:        +19.417147
Potential:     -137.194321
External:        +0.000000
XC:            -306.277739
Entropy (-ST):   -1.546236
Local:          +10.532941
--------------------------
Free energy:   -415.068207
Extrapolated:  -414.295090

Fermi level: -6.28180

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36485    0.15477
  0   340     -6.33775    0.14141
  0   341     -6.33585    0.14043
  0   342     -6.30037    0.12140

  1   339     -6.25984    0.19792
  1   340     -6.20926    0.14498
  1   341     -6.16874    0.10846
  1   342     -6.16794    0.10781



Forces in eV/Ang:
  0 O     0.00000   -0.01743    1.17326
  1 Pt   -0.00000    0.01013   -0.38135
  2 Pt    0.00000   -0.01910   -0.43725
  3 O    -1.68282   -0.00022   -0.71939
  4 O     1.68282   -0.00022   -0.71939
  5 O     0.00000   -0.01122   -1.41162
  6 O     0.00000   -0.00276    1.77227
  7 Pt   -0.00000    0.01299    0.45121
  8 Pt    0.00000   -0.04099    0.80341
  9 O    -1.58100    0.00126    0.04856
 10 O     1.58100    0.00126    0.04856
 11 O     0.00000   -0.00876   -0.55753
 12 O    -0.00000    0.00996    0.02829
 13 Pt   -0.00000    0.02351   -0.00149
 14 Pt    0.00000   -0.02227   -0.00052
 15 O    -0.00202    0.00950    0.00197
 16 O     0.00202    0.00950    0.00197
 17 O    -0.00000    0.01038   -0.10919
 18 O     0.00000    0.00014    0.01319
 19 Pt    0.00000   -0.04160   -0.01490
 20 Pt    0.00000   -0.06171    0.07683
 21 O    -0.05687    0.08802    0.05607
 22 O     0.05687    0.08802    0.05607
 23 O     0.00000   -0.01787    0.00046
 24 O     0.00000    0.00039    1.15171
 25 Pt   -0.00000    0.00445   -0.38400
 26 Pt    0.00000    0.00004   -0.43518
 27 O    -1.69133    0.01382   -0.71879
 28 O     1.69133    0.01382   -0.71879
 29 O    -0.00000    0.05831   -1.38275
 30 O     0.00000   -0.00526    1.83357
 31 Pt   -0.00000    0.02018    0.51141
 32 Pt    0.00000   -0.18618    0.54159
 33 O    -1.61367   -0.01983    0.06755
 34 O     1.61367   -0.01983    0.06755
 35 O     0.00000   -0.03260   -0.52021
 36 O    -0.00000    0.04454   -0.04332
 37 Pt    0.00000   -0.05456   -0.00979
 38 Pt    0.00000   -0.00357   -0.01073
 39 O     0.00803    0.01360    0.01444
 40 O    -0.00803    0.01360    0.01444
 41 O     0.00000    0.00822   -0.00957
 42 O    -0.00000    0.01825   -0.00938
 43 Pt   -0.00000    0.01195   -0.01039
 44 Pt   -0.00000    0.01036   -0.00032
 45 O    -0.04769   -0.07800    0.05617
 46 O     0.04769   -0.07800    0.05617
 47 O     0.00000   -0.02922   -0.01187
 48 O    -0.00000    0.02112    1.17370
 49 Pt    0.00000   -0.02282   -0.38682
 50 Pt   -0.00000    0.02098   -0.43706
 51 O    -1.68959   -0.01393   -0.71979
 52 O     1.68959   -0.01393   -0.71979
 53 O     0.00000   -0.02420   -1.39926
 54 O     0.00000   -0.00119    1.77652
 55 Pt    0.00000   -0.01204    0.51455
 56 Pt   -0.00000    0.16769    0.61842
 57 O    -1.61248    0.01375    0.09841
 58 O     1.61248    0.01375    0.09841
 59 O     0.00000   -0.02130   -0.51179
 60 O     0.00000   -0.04110   -0.04443
 61 Pt   -0.00000    0.01205    0.00076
 62 Pt   -0.00000    0.01840   -0.00443
 63 O    -0.00182   -0.00815    0.00145
 64 O     0.00182   -0.00815    0.00145
 65 O     0.00000   -0.00593   -0.00395
 66 O     0.00000    0.00544    0.00250
 67 Pt   -0.00000    0.00652    0.00454
 68 Pt   -0.00000    0.06829   -0.02879
 69 O    -0.00299   -0.00530    0.00219
 70 O     0.00299   -0.00530    0.00219
 71 O    -0.00000    0.01168   -0.00691
 72 N     0.00000   -0.10680   -0.03876
 73 N    -0.00000    0.09799   -0.02885

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    2.107776   24.348211    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.743980   23.302302    ( 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  10:26:42  -3.78   +inf  -414.293310    3      1      
iter:   2  10:28:50  -4.19  -3.34  -414.352536    3      1      
iter:   3  10:30:57  -4.44  -2.75  -414.302514    3      1      
iter:   4  10:33:04  -4.86  -3.31  -414.294483    3      1      
iter:   5  10:35:11  -5.24  -3.91  -414.294210    3      1      
iter:   6  10:37:18  -5.27  -4.02  -414.294238    3      1      
iter:   7  10:39:25  -5.33  -4.02  -414.293744    3      1      
iter:   8  10:41:33  -5.85  -4.52  -414.293778    2      1      
iter:   9  10:43:43  -6.26  -4.46  -414.293833    2      1      
iter:  10  10:45:52  -6.68  -4.52  -414.293566    2      1      
iter:  11  10:48:01  -6.93  -4.59  -414.293748    2      1      
iter:  12  10:50:09  -6.98  -4.83  -414.293709    2      1      
iter:  13  10:52:07  -7.19  -4.99  -414.293790    2      1      
iter:  14  10:54:06  -7.31  -4.71  -414.293750    2      1      
iter:  15  10:56:05  -7.45  -5.11  -414.293725    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961021, -33.020001, 0.301669) |e|*Ang

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

Kinetic:        +19.166606
Potential:     -137.007749
External:        +0.000000
XC:            -306.210557
Entropy (-ST):   -1.546431
Local:          +10.531191
--------------------------
Free energy:   -415.066941
Extrapolated:  -414.293725

Fermi level: -6.28253

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36552    0.15474
  0   340     -6.33861    0.14148
  0   341     -6.33671    0.14050
  0   342     -6.30110    0.12140

  1   339     -6.26062    0.19797
  1   340     -6.21007    0.14506
  1   341     -6.16937    0.10838
  1   342     -6.16874    0.10787



Forces in eV/Ang:
  0 O     0.00000   -0.01740    1.17355
  1 Pt   -0.00000    0.01001   -0.38054
  2 Pt    0.00000   -0.01911   -0.43630
  3 O    -1.68229   -0.00022   -0.71917
  4 O     1.68229   -0.00022   -0.71917
  5 O     0.00000   -0.01128   -1.41162
  6 O     0.00000   -0.00277    1.77455
  7 Pt   -0.00000    0.01305    0.45210
  8 Pt    0.00000   -0.04084    0.80347
  9 O    -1.58094    0.00126    0.04872
 10 O     1.58094    0.00126    0.04872
 11 O     0.00000   -0.00876   -0.55729
 12 O    -0.00000    0.01036    0.02922
 13 Pt   -0.00000    0.02455   -0.00082
 14 Pt    0.00000   -0.02228   -0.00004
 15 O    -0.00218    0.00955    0.00231
 16 O     0.00218    0.00955    0.00231
 17 O    -0.00000    0.01736   -0.11294
 18 O     0.00000    0.00018    0.01280
 19 Pt    0.00000   -0.04203   -0.01858
 20 Pt    0.00000   -0.07562    0.07597
 21 O    -0.05816    0.08947    0.05105
 22 O     0.05816    0.08947    0.05105
 23 O     0.00000   -0.01806   -0.00156
 24 O     0.00000    0.00037    1.15197
 25 Pt   -0.00000    0.00457   -0.38320
 26 Pt    0.00000    0.00004   -0.43426
 27 O    -1.69081    0.01382   -0.71856
 28 O     1.69081    0.01382   -0.71856
 29 O    -0.00000    0.05820   -1.38303
 30 O     0.00000   -0.00523    1.83583
 31 Pt   -0.00000    0.02015    0.51235
 32 Pt    0.00000   -0.18581    0.54255
 33 O    -1.61359   -0.01986    0.06768
 34 O     1.61359   -0.01986    0.06768
 35 O     0.00000   -0.03262   -0.51991
 36 O    -0.00000    0.04591   -0.04391
 37 Pt    0.00000   -0.05731   -0.00933
 38 Pt    0.00000   -0.00357   -0.01036
 39 O     0.00771    0.01359    0.01484
 40 O    -0.00771    0.01359    0.01484
 41 O     0.00000    0.00822   -0.00751
 42 O    -0.00000    0.01821   -0.00978
 43 Pt   -0.00000    0.01211   -0.01267
 44 Pt   -0.00000    0.00827   -0.00518
 45 O    -0.05071   -0.08180    0.05561
 46 O     0.05071   -0.08180    0.05561
 47 O     0.00000   -0.02831   -0.01433
 48 O    -0.00000    0.02111    1.17396
 49 Pt    0.00000   -0.02279   -0.38598
 50 Pt   -0.00000    0.02098   -0.43612
 51 O    -1.68908   -0.01393   -0.71958
 52 O     1.68908   -0.01393   -0.71958
 53 O     0.00000   -0.02413   -1.39967
 54 O     0.00000   -0.00120    1.77877
 55 Pt    0.00000   -0.01205    0.51545
 56 Pt   -0.00000    0.16737    0.61950
 57 O    -1.61239    0.01374    0.09842
 58 O     1.61239    0.01374    0.09842
 59 O     0.00000   -0.02128   -0.51154
 60 O     0.00000   -0.04276   -0.04518
 61 Pt   -0.00000    0.01217    0.00049
 62 Pt   -0.00000    0.01841   -0.00402
 63 O    -0.00217   -0.00818    0.00172
 64 O     0.00217   -0.00818    0.00172
 65 O     0.00000   -0.00610   -0.00228
 66 O     0.00000    0.00535    0.00211
 67 Pt   -0.00000    0.00669    0.00197
 68 Pt   -0.00000    0.06979   -0.03422
 69 O    -0.00384   -0.00531   -0.00078
 70 O     0.00384   -0.00531   -0.00078
 71 O    -0.00000    0.01089   -0.00926
 72 N     0.00000   -0.14235   -0.27686
 73 N    -0.00000    0.22175    0.21788

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    2.110338   24.347463    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.740472   23.306417    ( 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  11:08:56  -3.94   +inf  -414.297745    3      1      
iter:   2  11:11:06  -4.52  -3.56  -414.290653    3      1      
iter:   3  11:13:17  -4.92  -3.43  -414.293450    3      1      
iter:   4  11:15:29  -5.26  -4.00  -414.294019    2      1      
iter:   5  11:17:41  -5.57  -3.68  -414.293169    3      1      
iter:   6  11:19:54  -5.41  -4.10  -414.293144    3      1      
iter:   7  11:22:05  -5.46  -4.28  -414.293258    3      1      
iter:   8  11:24:17  -6.02  -4.40  -414.293230    2      1      
iter:   9  11:26:29  -6.42  -4.65  -414.293059    2      1      
iter:  10  11:28:40  -6.49  -4.67  -414.293351    2      1      
iter:  11  11:30:52  -6.88  -4.66  -414.293121    2      1      
iter:  12  11:33:03  -7.14  -4.70  -414.293167    2      1      
iter:  13  11:35:01  -7.38  -4.87  -414.293159    2      1      
iter:  14  11:36:59  -7.66  -5.17  -414.293175    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961058, -33.019444, 0.300965) |e|*Ang

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

Kinetic:        +19.517908
Potential:     -137.288366
External:        +0.000000
XC:            -306.281892
Entropy (-ST):   -1.546572
Local:          +10.532460
--------------------------
Free energy:   -415.066461
Extrapolated:  -414.293175

Fermi level: -6.28334

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36637    0.15476
  0   340     -6.33931    0.14142
  0   341     -6.33741    0.14044
  0   342     -6.30208    0.12149

  1   339     -6.26139    0.19792
  1   340     -6.21079    0.14497
  1   341     -6.17016    0.10836
  1   342     -6.16962    0.10792



Forces in eV/Ang:
  0 O     0.00000   -0.01739    1.17329
  1 Pt   -0.00000    0.00987   -0.38103
  2 Pt    0.00000   -0.01911   -0.43709
  3 O    -1.68268   -0.00021   -0.71940
  4 O     1.68268   -0.00021   -0.71940
  5 O     0.00000   -0.01130   -1.41106
  6 O     0.00000   -0.00275    1.77287
  7 Pt   -0.00000    0.01307    0.45143
  8 Pt    0.00000   -0.04073    0.80264
  9 O    -1.58104    0.00124    0.04884
 10 O     1.58104    0.00124    0.04884
 11 O     0.00000   -0.00875   -0.55781
 12 O    -0.00000    0.01059    0.03056
 13 Pt   -0.00000    0.02524   -0.00178
 14 Pt    0.00000   -0.02240   -0.00021
 15 O    -0.00174    0.00949    0.00203
 16 O     0.00174    0.00949    0.00203
 17 O    -0.00000    0.02208   -0.12030
 18 O     0.00000    0.00002    0.01381
 19 Pt    0.00000   -0.04160   -0.01638
 20 Pt    0.00000   -0.08792    0.07498
 21 O    -0.05858    0.09189    0.05556
 22 O     0.05858    0.09189    0.05556
 23 O     0.00000   -0.01790   -0.00098
 24 O     0.00000    0.00035    1.15166
 25 Pt   -0.00000    0.00471   -0.38366
 26 Pt    0.00000    0.00002   -0.43506
 27 O    -1.69120    0.01381   -0.71879
 28 O     1.69120    0.01381   -0.71879
 29 O    -0.00000    0.05805   -1.38285
 30 O     0.00000   -0.00528    1.83427
 31 Pt   -0.00000    0.02014    0.51165
 32 Pt    0.00000   -0.18540    0.54265
 33 O    -1.61369   -0.01985    0.06776
 34 O     1.61369   -0.01985    0.06776
 35 O     0.00000   -0.03262   -0.52029
 36 O    -0.00000    0.04746   -0.04458
 37 Pt    0.00000   -0.05918   -0.01042
 38 Pt    0.00000   -0.00327   -0.01053
 39 O     0.00819    0.01364    0.01449
 40 O    -0.00819    0.01364    0.01449
 41 O     0.00000    0.00829   -0.00995
 42 O    -0.00000    0.01861   -0.00931
 43 Pt   -0.00000    0.01187   -0.00973
 44 Pt   -0.00000    0.00779   -0.00067
 45 O    -0.05254   -0.08569    0.06291
 46 O     0.05254   -0.08569    0.06291
 47 O     0.00000   -0.02891   -0.01263
 48 O    -0.00000    0.02111    1.17365
 49 Pt    0.00000   -0.02278   -0.38644
 50 Pt   -0.00000    0.02100   -0.43693
 51 O    -1.68948   -0.01394   -0.71980
 52 O     1.68948   -0.01394   -0.71980
 53 O     0.00000   -0.02404   -1.39958
 54 O     0.00000   -0.00117    1.77722
 55 Pt    0.00000   -0.01205    0.51492
 56 Pt   -0.00000    0.16699    0.61966
 57 O    -1.61249    0.01372    0.09848
 58 O     1.61249    0.01372    0.09848
 59 O     0.00000   -0.02128   -0.51186
 60 O     0.00000   -0.04434   -0.04587
 61 Pt   -0.00000    0.01217   -0.00086
 62 Pt   -0.00000    0.01824   -0.00416
 63 O    -0.00198   -0.00816    0.00151
 64 O     0.00198   -0.00816    0.00151
 65 O     0.00000   -0.00635   -0.00474
 66 O     0.00000    0.00512    0.00254
 67 Pt   -0.00000    0.00659    0.00428
 68 Pt   -0.00000    0.07071   -0.02926
 69 O    -0.00298   -0.00548    0.00179
 70 O     0.00298   -0.00548    0.00179
 71 O    -0.00000    0.01128   -0.00743
 72 N    -0.00000    0.00098    0.08555
 73 N    -0.00000    0.13243   -0.11519

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    2.113414   24.348166    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.737676   23.309062    ( 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  11:55:26  -4.14   +inf  -414.291394    3      1      
iter:   2  11:57:31  -4.77  -3.99  -414.295280    3      1      
iter:   3  11:59:37  -5.13  -3.55  -414.293339    2      1      
iter:   4  12:01:45  -5.50  -3.82  -414.292406    2      1      
iter:   5  12:03:52  -5.77  -4.35  -414.292603    2      1      
iter:   6  12:06:00  -5.83  -4.37  -414.292583    3      1      
iter:   7  12:08:08  -6.12  -4.59  -414.292541    2      1      
iter:   8  12:10:15  -6.46  -4.82  -414.292587    2      1      
iter:   9  12:12:23  -6.75  -4.62  -414.292381    2      1      
iter:  10  12:14:30  -7.12  -4.85  -414.292480    2      1      
iter:  11  12:16:38  -7.51  -4.98  -414.292406    2      1      

Converged after 11 iterations.

Dipole moment: (-55.961075, -33.018802, 0.300291) |e|*Ang

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

Kinetic:        +19.481586
Potential:     -137.264699
External:        +0.000000
XC:            -306.268171
Entropy (-ST):   -1.546874
Local:          +10.532315
--------------------------
Free energy:   -415.065843
Extrapolated:  -414.292406

Fermi level: -6.28384

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36691    0.15477
  0   340     -6.33977    0.14140
  0   341     -6.33787    0.14041
  0   342     -6.30265    0.12153

  1   339     -6.26192    0.19796
  1   340     -6.21124    0.14491
  1   341     -6.17065    0.10836
  1   342     -6.17015    0.10795



Forces in eV/Ang:
  0 O     0.00000   -0.01736    1.17341
  1 Pt   -0.00000    0.00973   -0.38046
  2 Pt    0.00000   -0.01910   -0.43641
  3 O    -1.68262   -0.00018   -0.71910
  4 O     1.68262   -0.00018   -0.71910
  5 O     0.00000   -0.01132   -1.41087
  6 O     0.00000   -0.00277    1.77292
  7 Pt   -0.00000    0.01295    0.45147
  8 Pt    0.00000   -0.04066    0.80247
  9 O    -1.58117    0.00104    0.04894
 10 O     1.58117    0.00104    0.04894
 11 O     0.00000   -0.00877   -0.55799
 12 O    -0.00000    0.01082    0.03190
 13 Pt   -0.00000    0.02681   -0.00258
 14 Pt    0.00000   -0.02243   -0.00045
 15 O    -0.00182    0.00955    0.00200
 16 O     0.00182    0.00955    0.00200
 17 O    -0.00000    0.02602   -0.12710
 18 O     0.00000   -0.00006    0.01384
 19 Pt    0.00000   -0.04161   -0.01796
 20 Pt    0.00000   -0.09632    0.07397
 21 O    -0.05824    0.09178    0.05471
 22 O     0.05824    0.09178    0.05471
 23 O     0.00000   -0.01770   -0.00066
 24 O     0.00000    0.00028    1.15179
 25 Pt   -0.00000    0.00486   -0.38309
 26 Pt    0.00000   -0.00003   -0.43427
 27 O    -1.69115    0.01379   -0.71849
 28 O     1.69115    0.01379   -0.71849
 29 O    -0.00000    0.05797   -1.38277
 30 O     0.00000   -0.00522    1.83465
 31 Pt   -0.00000    0.02025    0.51169
 32 Pt    0.00000   -0.18490    0.54280
 33 O    -1.61380   -0.01969    0.06783
 34 O     1.61380   -0.01969    0.06783
 35 O     0.00000   -0.03261   -0.52041
 36 O    -0.00000    0.04910   -0.04586
 37 Pt    0.00000   -0.06146   -0.01133
 38 Pt    0.00000   -0.00365   -0.01124
 39 O     0.00811    0.01361    0.01448
 40 O    -0.00811    0.01361    0.01448
 41 O     0.00000    0.00789   -0.00913
 42 O    -0.00000    0.01826   -0.00946
 43 Pt   -0.00000    0.01178   -0.00986
 44 Pt   -0.00000    0.00569   -0.00038
 45 O    -0.05377   -0.08714    0.06617
 46 O     0.05377   -0.08714    0.06617
 47 O     0.00000   -0.02943   -0.01296
 48 O    -0.00000    0.02116    1.17378
 49 Pt    0.00000   -0.02277   -0.38568
 50 Pt   -0.00000    0.02105   -0.43612
 51 O    -1.68939   -0.01394   -0.71949
 52 O     1.68939   -0.01394   -0.71949
 53 O     0.00000   -0.02399   -1.39957
 54 O     0.00000   -0.00122    1.77763
 55 Pt    0.00000   -0.01204    0.51492
 56 Pt   -0.00000    0.16654    0.61993
 57 O    -1.61272    0.01374    0.09841
 58 O     1.61272    0.01374    0.09841
 59 O     0.00000   -0.02129   -0.51196
 60 O     0.00000   -0.04610   -0.04728
 61 Pt   -0.00000    0.01215   -0.00216
 62 Pt   -0.00000    0.01866   -0.00496
 63 O    -0.00218   -0.00818    0.00133
 64 O     0.00218   -0.00818    0.00133
 65 O     0.00000   -0.00616   -0.00437
 66 O     0.00000    0.00553    0.00239
 67 Pt   -0.00000    0.00659    0.00302
 68 Pt   -0.00000    0.07233   -0.03054
 69 O    -0.00322   -0.00559    0.00103
 70 O     0.00322   -0.00559    0.00103
 71 O    -0.00000    0.01168   -0.00790
 72 N     0.00000   -0.00988    0.07004
 73 N    -0.00000    0.14270   -0.09791

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   Pt            
            Pt  NO     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    2.116387   24.348812    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.735075   23.311752    ( 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  12:40:01  -4.17   +inf  -414.295396    2      1      
iter:   2  12:42:07  -4.38  -3.43  -414.353865    3      1      
iter:   3  12:44:15  -4.60  -2.71  -414.290703    3      1      
iter:   4  12:46:24  -5.20  -3.84  -414.292040    3      1      
iter:   5  12:48:32  -5.69  -4.42  -414.291732    2      1      
iter:   6  12:50:39  -5.85  -4.65  -414.291723    3      1      
iter:   7  12:52:45  -6.07  -4.76  -414.291715    2      1      
iter:   8  12:54:52  -6.51  -5.01  -414.291704    2      1      
iter:   9  12:56:59  -6.81  -4.95  -414.291800    2      1      
iter:  10  12:59:08  -7.14  -4.46  -414.291713    2      1      
iter:  11  13:01:15  -7.42  -5.04  -414.291771    2      1      

Converged after 11 iterations.

Dipole moment: (-55.961058, -33.017262, 0.298915) |e|*Ang

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

Kinetic:        +19.486425
Potential:     -137.273641
External:        +0.000000
XC:            -306.262762
Entropy (-ST):   -1.546754
Local:          +10.531585
--------------------------
Free energy:   -415.065148
Extrapolated:  -414.291771

Fermi level: -6.28510

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36809    0.15474
  0   340     -6.34111    0.14144
  0   341     -6.33921    0.14046
  0   342     -6.30391    0.12153

  1   339     -6.26304    0.19781
  1   340     -6.21258    0.14500
  1   341     -6.17177    0.10825
  1   342     -6.17144    0.10797



Forces in eV/Ang:
  0 O     0.00000   -0.01734    1.17334
  1 Pt   -0.00000    0.00968   -0.38108
  2 Pt    0.00000   -0.01909   -0.43695
  3 O    -1.68283   -0.00010   -0.71922
  4 O     1.68283   -0.00010   -0.71922
  5 O     0.00000   -0.01134   -1.41085
  6 O     0.00000   -0.00275    1.77210
  7 Pt   -0.00000    0.01310    0.45158
  8 Pt    0.00000   -0.04057    0.80189
  9 O    -1.58087    0.00115    0.04914
 10 O     1.58087    0.00115    0.04914
 11 O     0.00000   -0.00874   -0.55707
 12 O    -0.00000    0.01097    0.03277
 13 Pt   -0.00000    0.02758   -0.00099
 14 Pt    0.00000   -0.02246    0.00064
 15 O    -0.00163    0.00961    0.00268
 16 O     0.00163    0.00961    0.00268
 17 O    -0.00000    0.02925   -0.12883
 18 O     0.00000   -0.00003    0.01411
 19 Pt    0.00000   -0.04189   -0.01717
 20 Pt    0.00000   -0.10259    0.07697
 21 O    -0.06009    0.09486    0.05415
 22 O     0.06009    0.09486    0.05415
 23 O     0.00000   -0.01777   -0.00179
 24 O     0.00000    0.00029    1.15163
 25 Pt   -0.00000    0.00490   -0.38371
 26 Pt    0.00000   -0.00011   -0.43479
 27 O    -1.69136    0.01371   -0.71861
 28 O     1.69136    0.01371   -0.71861
 29 O    -0.00000    0.05789   -1.38294
 30 O     0.00000   -0.00510    1.83423
 31 Pt   -0.00000    0.02014    0.51182
 32 Pt    0.00000   -0.18460    0.54329
 33 O    -1.61350   -0.01979    0.06802
 34 O     1.61350   -0.01979    0.06802
 35 O     0.00000   -0.03258   -0.51955
 36 O    -0.00000    0.04992   -0.04557
 37 Pt    0.00000   -0.06325   -0.00976
 38 Pt    0.00000   -0.00342   -0.01002
 39 O     0.00820    0.01354    0.01514
 40 O    -0.00820    0.01354    0.01514
 41 O     0.00000    0.00820   -0.00691
 42 O    -0.00000    0.01850   -0.00906
 43 Pt   -0.00000    0.01189   -0.00871
 44 Pt   -0.00000    0.00507   -0.00084
 45 O    -0.05637   -0.09116    0.06669
 46 O     0.05637   -0.09116    0.06669
 47 O     0.00000   -0.02871   -0.01372
 48 O    -0.00000    0.02115    1.17362
 49 Pt    0.00000   -0.02276   -0.38632
 50 Pt   -0.00000    0.02111   -0.43664
 51 O    -1.68956   -0.01395   -0.71961
 52 O     1.68956   -0.01395   -0.71961
 53 O     0.00000   -0.02394   -1.39980
 54 O     0.00000   -0.00135    1.77723
 55 Pt    0.00000   -0.01207    0.51513
 56 Pt   -0.00000    0.16624    0.62046
 57 O    -1.61233    0.01371    0.09860
 58 O     1.61233    0.01371    0.09860
 59 O     0.00000   -0.02134   -0.51113
 60 O     0.00000   -0.04704   -0.04696
 61 Pt   -0.00000    0.01225   -0.00131
 62 Pt   -0.00000    0.01846   -0.00358
 63 O    -0.00209   -0.00817    0.00205
 64 O     0.00209   -0.00817    0.00205
 65 O     0.00000   -0.00644   -0.00223
 66 O     0.00000    0.00525    0.00282
 67 Pt   -0.00000    0.00672    0.00405
 68 Pt   -0.00000    0.07296   -0.03054
 69 O    -0.00368   -0.00560    0.00028
 70 O     0.00368   -0.00560    0.00028
 71 O    -0.00000    0.01099   -0.00850
 72 N     0.00000   -0.03294    0.09729
 73 N    -0.00000    0.17044   -0.12905

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   Pt            
            Pt  NO     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    2.119020   24.349518    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.733727   23.314099    ( 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  13:19:20  -4.37   +inf  -414.288836    3      1      
iter:   2  13:21:25  -4.77  -3.58  -414.302767    3      1      
iter:   3  13:23:32  -4.90  -3.20  -414.296158    3      1      
iter:   4  13:25:41  -5.38  -3.37  -414.291159    3      1      
iter:   5  13:27:50  -5.87  -4.44  -414.291051    2      1      
iter:   6  13:29:58  -6.09  -4.90  -414.291155    2      1      
iter:   7  13:32:08  -6.38  -4.87  -414.291122    2      1      
iter:   8  13:34:17  -6.79  -4.94  -414.291114    2      1      
iter:   9  13:36:21  -7.09  -5.16  -414.291144    2      1      
iter:  10  13:38:25  -7.39  -4.94  -414.291029    2      1      
iter:  11  13:40:31  -7.80  -5.14  -414.291108    2      1      

Converged after 11 iterations.

Dipole moment: (-55.961074, -33.016319, 0.298385) |e|*Ang

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

Kinetic:        +19.511330
Potential:     -137.299393
External:        +0.000000
XC:            -306.261381
Entropy (-ST):   -1.546950
Local:          +10.531811
--------------------------
Free energy:   -415.064583
Extrapolated:  -414.291108

Fermi level: -6.28540

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36838    0.15474
  0   340     -6.34143    0.14145
  0   341     -6.33952    0.14047
  0   342     -6.30428    0.12157

  1   339     -6.26340    0.19788
  1   340     -6.21287    0.14499
  1   341     -6.17204    0.10823
  1   342     -6.17181    0.10803



Forces in eV/Ang:
  0 O     0.00000   -0.01735    1.17348
  1 Pt   -0.00000    0.00955   -0.38039
  2 Pt    0.00000   -0.01910   -0.43644
  3 O    -1.68246   -0.00017   -0.71906
  4 O     1.68246   -0.00017   -0.71906
  5 O     0.00000   -0.01136   -1.41034
  6 O     0.00000   -0.00276    1.77391
  7 Pt   -0.00000    0.01299    0.45201
  8 Pt    0.00000   -0.04053    0.80195
  9 O    -1.58093    0.00102    0.04924
 10 O     1.58093    0.00102    0.04924
 11 O     0.00000   -0.00875   -0.55769
 12 O    -0.00000    0.01108    0.03357
 13 Pt   -0.00000    0.02845   -0.00164
 14 Pt    0.00000   -0.02250    0.00059
 15 O    -0.00155    0.00948    0.00244
 16 O     0.00155    0.00948    0.00244
 17 O    -0.00000    0.03135   -0.13383
 18 O     0.00000   -0.00010    0.01365
 19 Pt    0.00000   -0.04194   -0.01806
 20 Pt    0.00000   -0.10822    0.07404
 21 O    -0.06097    0.09632    0.05477
 22 O     0.06097    0.09632    0.05477
 23 O     0.00000   -0.01785   -0.00227
 24 O     0.00000    0.00025    1.15178
 25 Pt   -0.00000    0.00505   -0.38300
 26 Pt    0.00000   -0.00007   -0.43437
 27 O    -1.69098    0.01378   -0.71846
 28 O     1.69098    0.01378   -0.71846
 29 O    -0.00000    0.05782   -1.38265
 30 O     0.00000   -0.00529    1.83569
 31 Pt   -0.00000    0.02022    0.51223
 32 Pt    0.00000   -0.18437    0.54366
 33 O    -1.61356   -0.01968    0.06810
 34 O     1.61356   -0.01968    0.06810
 35 O     0.00000   -0.03265   -0.52004
 36 O    -0.00000    0.05100   -0.04640
 37 Pt    0.00000   -0.06448   -0.01049
 38 Pt    0.00000   -0.00342   -0.01015
 39 O     0.00827    0.01368    0.01491
 40 O    -0.00827    0.01368    0.01491
 41 O     0.00000    0.00800   -0.00808
 42 O    -0.00000    0.01832   -0.00967
 43 Pt   -0.00000    0.01203   -0.00946
 44 Pt   -0.00000    0.00396   -0.00141
 45 O    -0.05744   -0.09302    0.06844
 46 O     0.05744   -0.09302    0.06844
 47 O     0.00000   -0.02895   -0.01392
 48 O    -0.00000    0.02119    1.17377
 49 Pt    0.00000   -0.02276   -0.38554
 50 Pt   -0.00000    0.02108   -0.43620
 51 O    -1.68924   -0.01395   -0.71944
 52 O     1.68924   -0.01395   -0.71944
 53 O     0.00000   -0.02388   -1.39955
 54 O     0.00000   -0.00116    1.77869
 55 Pt    0.00000   -0.01204    0.51558
 56 Pt   -0.00000    0.16603    0.62090
 57 O    -1.61247    0.01372    0.09859
 58 O     1.61247    0.01372    0.09859
 59 O     0.00000   -0.02126   -0.51158
 60 O     0.00000   -0.04818   -0.04789
 61 Pt   -0.00000    0.01224   -0.00234
 62 Pt   -0.00000    0.01850   -0.00383
 63 O    -0.00235   -0.00817    0.00180
 64 O     0.00235   -0.00817    0.00180
 65 O     0.00000   -0.00639   -0.00345
 66 O     0.00000    0.00547    0.00219
 67 Pt   -0.00000    0.00667    0.00334
 68 Pt   -0.00000    0.07446   -0.03074
 69 O    -0.00339   -0.00566    0.00027
 70 O     0.00339   -0.00566    0.00027
 71 O    -0.00000    0.01125   -0.00862
 72 N     0.00000   -0.05466    0.12887
 73 N    -0.00000    0.16331   -0.15465

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   Pt            
            Pt  NO     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    2.121561   24.350582    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.733303   23.316102    ( 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  14:01:34  -4.52   +inf  -414.291708    3      1      
iter:   2  14:03:37  -4.45  -3.40  -414.369275    3      1      
iter:   3  14:05:40  -4.65  -2.66  -414.292408    3      1      
iter:   4  14:07:44  -5.36  -3.93  -414.290798    3      1      
iter:   5  14:09:50  -5.78  -4.33  -414.290690    2      1      
iter:   6  14:11:57  -6.09  -4.65  -414.290710    2      1      
iter:   7  14:14:05  -6.29  -4.69  -414.290659    2      1      
iter:   8  14:16:14  -6.85  -5.10  -414.290666    2      1      
iter:   9  14:18:22  -7.17  -5.07  -414.290696    2      1      
iter:  10  14:20:29  -7.48  -5.09  -414.290613    2      1      

Converged after 10 iterations.

Dipole moment: (-55.961100, -33.015236, 0.298018) |e|*Ang

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

Kinetic:        +19.459450
Potential:     -137.259446
External:        +0.000000
XC:            -306.248522
Entropy (-ST):   -1.547143
Local:          +10.531477
--------------------------
Free energy:   -415.064184
Extrapolated:  -414.290613

Fermi level: -6.28559

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36861    0.15475
  0   340     -6.34158    0.14142
  0   341     -6.33969    0.14045
  0   342     -6.30456    0.12162

  1   339     -6.26368    0.19797
  1   340     -6.21302    0.14494
  1   341     -6.17227    0.10825
  1   342     -6.17205    0.10807



Forces in eV/Ang:
  0 O     0.00000   -0.01733    1.17344
  1 Pt   -0.00000    0.00951   -0.38022
  2 Pt    0.00000   -0.01910   -0.43625
  3 O    -1.68230   -0.00017   -0.71913
  4 O     1.68230   -0.00017   -0.71913
  5 O     0.00000   -0.01137   -1.41049
  6 O     0.00000   -0.00277    1.77412
  7 Pt   -0.00000    0.01319    0.45169
  8 Pt    0.00000   -0.04052    0.80131
  9 O    -1.58123    0.00116    0.04870
 10 O     1.58123    0.00116    0.04870
 11 O     0.00000   -0.00876   -0.55865
 12 O    -0.00000    0.01118    0.03306
 13 Pt   -0.00000    0.02912   -0.00306
 14 Pt    0.00000   -0.02246   -0.00054
 15 O    -0.00184    0.00980    0.00176
 16 O     0.00184    0.00980    0.00176
 17 O    -0.00000    0.03234   -0.13677
 18 O     0.00000   -0.00009    0.01341
 19 Pt    0.00000   -0.04171   -0.01773
 20 Pt    0.00000   -0.11050    0.07436
 21 O    -0.06201    0.09842    0.05648
 22 O     0.06201    0.09842    0.05648
 23 O     0.00000   -0.01784   -0.00118
 24 O     0.00000    0.00030    1.15170
 25 Pt   -0.00000    0.00507   -0.38286
 26 Pt    0.00000    0.00000   -0.43421
 27 O    -1.69084    0.01377   -0.71853
 28 O     1.69084    0.01377   -0.71853
 29 O    -0.00000    0.05777   -1.38310
 30 O     0.00000   -0.00505    1.83568
 31 Pt   -0.00000    0.02005    0.51196
 32 Pt    0.00000   -0.18416    0.54368
 33 O    -1.61384   -0.01982    0.06757
 34 O     1.61384   -0.01982    0.06757
 35 O     0.00000   -0.03253   -0.52106
 36 O    -0.00000    0.05174   -0.04775
 37 Pt    0.00000   -0.06532   -0.01201
 38 Pt    0.00000   -0.00353   -0.01116
 39 O     0.00793    0.01337    0.01419
 40 O    -0.00793    0.01337    0.01419
 41 O     0.00000    0.00811   -0.00965
 42 O    -0.00000    0.01879   -0.01004
 43 Pt   -0.00000    0.01173   -0.00909
 44 Pt   -0.00000    0.00382   -0.00067
 45 O    -0.05850   -0.09518    0.07038
 46 O     0.05850   -0.09518    0.07038
 47 O     0.00000   -0.02870   -0.01311
 48 O    -0.00000    0.02113    1.17370
 49 Pt    0.00000   -0.02275   -0.38543
 50 Pt   -0.00000    0.02101   -0.43605
 51 O    -1.68914   -0.01394   -0.71950
 52 O     1.68914   -0.01394   -0.71950
 53 O     0.00000   -0.02384   -1.39998
 54 O     0.00000   -0.00139    1.77861
 55 Pt    0.00000   -0.01206    0.51508
 56 Pt   -0.00000    0.16584    0.62087
 57 O    -1.61268    0.01372    0.09800
 58 O     1.61268    0.01372    0.09800
 59 O     0.00000   -0.02137   -0.51267
 60 O     0.00000   -0.04898   -0.04924
 61 Pt   -0.00000    0.01224   -0.00387
 62 Pt   -0.00000    0.01856   -0.00470
 63 O    -0.00246   -0.00819    0.00121
 64 O     0.00246   -0.00819    0.00121
 65 O     0.00000   -0.00657   -0.00483
 66 O     0.00000    0.00499    0.00190
 67 Pt   -0.00000    0.00675    0.00303
 68 Pt   -0.00000    0.07476   -0.02985
 69 O    -0.00336   -0.00564    0.00006
 70 O     0.00336   -0.00564    0.00006
 71 O    -0.00000    0.01096   -0.00788
 72 N     0.00000   -0.08669    0.11457
 73 N    -0.00000    0.16620   -0.13898

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   Pt            
            Pt  NO     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    2.123925   24.351772    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.733406   23.318109    ( 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  14:44:00  -4.61   +inf  -414.292566    2      1      
iter:   2  14:46:03  -4.97  -3.71  -414.301292    3      1      
iter:   3  14:48:06  -5.12  -3.05  -414.289155    2      1      
iter:   4  14:50:11  -5.65  -3.92  -414.290441    3      1      
iter:   5  14:52:16  -6.16  -4.43  -414.290335    2      1      
iter:   6  14:54:22  -6.24  -4.51  -414.290336    2      1      
iter:   7  14:56:28  -6.77  -4.92  -414.290331    2      1      
iter:   8  14:58:32  -7.10  -5.19  -414.290321    2      1      
iter:   9  15:00:37  -7.37  -5.26  -414.290280    2      1      
iter:  10  15:02:42  -7.70  -5.30  -414.290323    2      1      

Converged after 10 iterations.

Dipole moment: (-55.961093, -33.013847, 0.297422) |e|*Ang

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

Kinetic:        +19.448541
Potential:     -137.254007
External:        +0.000000
XC:            -306.242390
Entropy (-ST):   -1.547064
Local:          +10.531065
--------------------------
Free energy:   -415.063855
Extrapolated:  -414.290323

Fermi level: -6.28637

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36939    0.15475
  0   340     -6.34232    0.14141
  0   341     -6.34042    0.14043
  0   342     -6.30538    0.12164

  1   339     -6.26431    0.19781
  1   340     -6.21379    0.14494
  1   341     -6.17297    0.10819
  1   342     -6.17283    0.10807



Forces in eV/Ang:
  0 O     0.00000   -0.01733    1.17339
  1 Pt   -0.00000    0.00938   -0.38112
  2 Pt    0.00000   -0.01911   -0.43700
  3 O    -1.68292   -0.00020   -0.71933
  4 O     1.68292   -0.00020   -0.71933
  5 O     0.00000   -0.01136   -1.41068
  6 O     0.00000   -0.00276    1.77159
  7 Pt   -0.00000    0.01303    0.45078
  8 Pt    0.00000   -0.04051    0.80063
  9 O    -1.58094    0.00102    0.04864
 10 O     1.58094    0.00102    0.04864
 11 O     0.00000   -0.00876   -0.55832
 12 O    -0.00000    0.01116    0.03426
 13 Pt   -0.00000    0.02996   -0.00255
 14 Pt    0.00000   -0.02250   -0.00001
 15 O    -0.00134    0.00949    0.00221
 16 O     0.00134    0.00949    0.00221
 17 O    -0.00000    0.03257   -0.13887
 18 O     0.00000   -0.00011    0.01429
 19 Pt    0.00000   -0.04201   -0.01674
 20 Pt    0.00000   -0.11110    0.07593
 21 O    -0.06282    0.09946    0.05731
 22 O     0.06282    0.09946    0.05731
 23 O     0.00000   -0.01791   -0.00178
 24 O     0.00000    0.00025    1.15166
 25 Pt   -0.00000    0.00521   -0.38375
 26 Pt    0.00000   -0.00004   -0.43495
 27 O    -1.69144    0.01379   -0.71873
 28 O     1.69144    0.01379   -0.71873
 29 O    -0.00000    0.05772   -1.38339
 30 O     0.00000   -0.00530    1.83319
 31 Pt   -0.00000    0.02020    0.51102
 32 Pt    0.00000   -0.18404    0.54329
 33 O    -1.61357   -0.01967    0.06749
 34 O     1.61357   -0.01967    0.06749
 35 O     0.00000   -0.03265   -0.52056
 36 O    -0.00000    0.05235   -0.04761
 37 Pt    0.00000   -0.06623   -0.01145
 38 Pt    0.00000   -0.00342   -0.01076
 39 O     0.00843    0.01370    0.01465
 40 O    -0.00843    0.01370    0.01465
 41 O     0.00000    0.00791   -0.00866
 42 O    -0.00000    0.01836   -0.00917
 43 Pt   -0.00000    0.01206   -0.00827
 44 Pt   -0.00000    0.00291   -0.00021
 45 O    -0.05912   -0.09611    0.07108
 46 O     0.05912   -0.09611    0.07108
 47 O     0.00000   -0.02900   -0.01331
 48 O    -0.00000    0.02117    1.17365
 49 Pt    0.00000   -0.02276   -0.38625
 50 Pt   -0.00000    0.02107   -0.43680
 51 O    -1.68974   -0.01394   -0.71970
 52 O     1.68974   -0.01394   -0.71970
 53 O     0.00000   -0.02379   -1.40029
 54 O     0.00000   -0.00115    1.77615
 55 Pt    0.00000   -0.01205    0.51437
 56 Pt   -0.00000    0.16570    0.62053
 57 O    -1.61243    0.01371    0.09785
 58 O     1.61243    0.01371    0.09785
 59 O     0.00000   -0.02125   -0.51213
 60 O     0.00000   -0.04961   -0.04913
 61 Pt   -0.00000    0.01225   -0.00387
 62 Pt   -0.00000    0.01849   -0.00438
 63 O    -0.00239   -0.00819    0.00159
 64 O     0.00239   -0.00819    0.00159
 65 O     0.00000   -0.00638   -0.00390
 66 O     0.00000    0.00544    0.00274
 67 Pt   -0.00000    0.00672    0.00417
 68 Pt   -0.00000    0.07598   -0.02907
 69 O    -0.00341   -0.00568    0.00040
 70 O     0.00341   -0.00568    0.00040
 71 O    -0.00000    0.01133   -0.00800
 72 N     0.00000   -0.11212    0.12512
 73 N    -0.00000    0.17249   -0.13787

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   Pt            
            Pt  NO     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    2.126010   24.353474    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.735385   23.319763    ( 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  15:26:05  -4.60   +inf  -414.289585    3      1      
iter:   2  15:28:07  -4.74  -3.53  -414.327845    3      1      
iter:   3  15:30:10  -4.95  -2.85  -414.293054    2      1      
iter:   4  15:32:13  -5.55  -3.74  -414.290546    3      1      
iter:   5  15:34:18  -6.13  -4.54  -414.290449    2      1      
iter:   6  15:36:23  -6.39  -4.45  -414.290441    3      1      
iter:   7  15:38:28  -6.87  -4.90  -414.290422    2      1      
iter:   8  15:40:33  -7.18  -4.92  -414.290421    2      1      
iter:   9  15:42:38  -7.58  -5.22  -414.290453    2      1      

Converged after 9 iterations.

Dipole moment: (-55.961087, -33.013040, 0.297626) |e|*Ang

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

Kinetic:        +19.420395
Potential:     -137.234991
External:        +0.000000
XC:            -306.233212
Entropy (-ST):   -1.547046
Local:          +10.530879
--------------------------
Free energy:   -415.063976
Extrapolated:  -414.290453

Fermi level: -6.28612

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36910    0.15474
  0   340     -6.34214    0.14145
  0   341     -6.34025    0.14047
  0   342     -6.30513    0.12164

  1   339     -6.26408    0.19783
  1   340     -6.21358    0.14499
  1   341     -6.17267    0.10815
  1   342     -6.17261    0.10810



Forces in eV/Ang:
  0 O     0.00000   -0.01736    1.17338
  1 Pt   -0.00000    0.00936   -0.38053
  2 Pt    0.00000   -0.01911   -0.43686
  3 O    -1.68249   -0.00017   -0.71899
  4 O     1.68249   -0.00017   -0.71899
  5 O     0.00000   -0.01135   -1.40968
  6 O     0.00000   -0.00276    1.77379
  7 Pt   -0.00000    0.01319    0.45198
  8 Pt    0.00000   -0.04055    0.80102
  9 O    -1.58102    0.00113    0.04956
 10 O     1.58102    0.00113    0.04956
 11 O     0.00000   -0.00875   -0.55751
 12 O    -0.00000    0.01103    0.03500
 13 Pt   -0.00000    0.03012   -0.00270
 14 Pt    0.00000   -0.02247    0.00016
 15 O    -0.00156    0.00968    0.00224
 16 O     0.00156    0.00968    0.00224
 17 O    -0.00000    0.03061   -0.13893
 18 O     0.00000   -0.00005    0.01373
 19 Pt    0.00000   -0.04177   -0.01610
 20 Pt    0.00000   -0.10606    0.07483
 21 O    -0.06458    0.10209    0.05932
 22 O     0.06458    0.10209    0.05932
 23 O     0.00000   -0.01807   -0.00168
 24 O     0.00000    0.00029    1.15164
 25 Pt   -0.00000    0.00522   -0.38316
 26 Pt    0.00000   -0.00001   -0.43484
 27 O    -1.69102    0.01378   -0.71838
 28 O     1.69102    0.01378   -0.71838
 29 O    -0.00000    0.05769   -1.38263
 30 O     0.00000   -0.00513    1.83534
 31 Pt   -0.00000    0.02004    0.51224
 32 Pt    0.00000   -0.18393    0.54407
 33 O    -1.61363   -0.01979    0.06842
 34 O     1.61363   -0.01979    0.06842
 35 O     0.00000   -0.03258   -0.51988
 36 O    -0.00000    0.05298   -0.04743
 37 Pt    0.00000   -0.06608   -0.01145
 38 Pt    0.00000   -0.00346   -0.01040
 39 O     0.00818    0.01349    0.01468
 40 O    -0.00818    0.01349    0.01468
 41 O     0.00000    0.00813   -0.00811
 42 O    -0.00000    0.01874   -0.00994
 43 Pt   -0.00000    0.01179   -0.00847
 44 Pt   -0.00000    0.00311   -0.00018
 45 O    -0.05970   -0.09758    0.07044
 46 O     0.05970   -0.09758    0.07044
 47 O     0.00000   -0.02862   -0.01326
 48 O    -0.00000    0.02116    1.17365
 49 Pt    0.00000   -0.02275   -0.38568
 50 Pt   -0.00000    0.02103   -0.43668
 51 O    -1.68934   -0.01395   -0.71935
 52 O     1.68934   -0.01395   -0.71935
 53 O     0.00000   -0.02374   -1.39951
 54 O     0.00000   -0.00131    1.77826
 55 Pt    0.00000   -0.01206    0.51543
 56 Pt   -0.00000    0.16557    0.62130
 57 O    -1.61247    0.01372    0.09877
 58 O     1.61247    0.01372    0.09877
 59 O     0.00000   -0.02133   -0.51146
 60 O     0.00000   -0.05023   -0.04890
 61 Pt   -0.00000    0.01226   -0.00379
 62 Pt   -0.00000    0.01849   -0.00397
 63 O    -0.00244   -0.00817    0.00160
 64 O     0.00244   -0.00817    0.00160
 65 O     0.00000   -0.00649   -0.00309
 66 O     0.00000    0.00499    0.00200
 67 Pt   -0.00000    0.00677    0.00432
 68 Pt   -0.00000    0.07633   -0.02815
 69 O    -0.00367   -0.00565   -0.00008
 70 O     0.00367   -0.00565   -0.00008
 71 O    -0.00000    0.01105   -0.00791
 72 N     0.00000   -0.12159    0.10180
 73 N    -0.00000    0.18380   -0.13316

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    2.128101   24.355120    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.738011   23.321485    ( 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  16:08:14  -4.52   +inf  -414.289675    3      1      
iter:   2  16:10:16  -4.82  -3.59  -414.318893    3      1      
iter:   3  16:12:20  -4.92  -2.90  -414.292913    3      1      
iter:   4  16:14:25  -5.60  -3.77  -414.290637    3      1      
iter:   5  16:16:31  -5.97  -4.61  -414.290481    2      1      
iter:   6  16:18:36  -6.40  -4.64  -414.290600    2      1      
iter:   7  16:20:41  -7.07  -5.06  -414.290598    2      1      
iter:   8  16:22:46  -7.52  -5.12  -414.290603    2      1      

Converged after 8 iterations.

Dipole moment: (-55.961078, -33.011311, 0.297265) |e|*Ang

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

Kinetic:        +19.483880
Potential:     -137.293499
External:        +0.000000
XC:            -306.238750
Entropy (-ST):   -1.547140
Local:          +10.531336
--------------------------
Free energy:   -415.064172
Extrapolated:  -414.290603

Fermi level: -6.28632

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36937    0.15477
  0   340     -6.34225    0.14140
  0   341     -6.34035    0.14042
  0   342     -6.30538    0.12167

  1   339     -6.26438    0.19794
  1   340     -6.21373    0.14494
  1   341     -6.17293    0.10820
  1   342     -6.17281    0.10810



Forces in eV/Ang:
  0 O     0.00000   -0.01735    1.17351
  1 Pt   -0.00000    0.00928   -0.38042
  2 Pt    0.00000   -0.01909   -0.43644
  3 O    -1.68277   -0.00020   -0.71898
  4 O     1.68277   -0.00020   -0.71898
  5 O     0.00000   -0.01134   -1.40980
  6 O     0.00000   -0.00275    1.77304
  7 Pt   -0.00000    0.01315    0.45158
  8 Pt    0.00000   -0.04060    0.80112
  9 O    -1.58094    0.00113    0.04900
 10 O     1.58094    0.00113    0.04900
 11 O     0.00000   -0.00875   -0.55884
 12 O    -0.00000    0.01081    0.03457
 13 Pt   -0.00000    0.03050   -0.00394
 14 Pt    0.00000   -0.02251   -0.00103
 15 O    -0.00151    0.00953    0.00154
 16 O     0.00151    0.00953    0.00154
 17 O    -0.00000    0.02801   -0.14014
 18 O     0.00000   -0.00002    0.01362
 19 Pt    0.00000   -0.04197   -0.01731
 20 Pt    0.00000   -0.10006    0.07330
 21 O    -0.06550    0.10305    0.06020
 22 O     0.06550    0.10305    0.06020
 23 O     0.00000   -0.01815   -0.00259
 24 O     0.00000    0.00030    1.15179
 25 Pt   -0.00000    0.00532   -0.38305
 26 Pt    0.00000    0.00002   -0.43449
 27 O    -1.69130    0.01382   -0.71837
 28 O     1.69130    0.01382   -0.71837
 29 O    -0.00000    0.05765   -1.38304
 30 O     0.00000   -0.00530    1.83439
 31 Pt   -0.00000    0.02005    0.51177
 32 Pt    0.00000   -0.18398    0.54429
 33 O    -1.61356   -0.01978    0.06785
 34 O     1.61356   -0.01978    0.06785
 35 O     0.00000   -0.03268   -0.52103
 36 O    -0.00000    0.05341   -0.04856
 37 Pt    0.00000   -0.06595   -0.01254
 38 Pt    0.00000   -0.00342   -0.01158
 39 O     0.00827    0.01361    0.01398
 40 O    -0.00827    0.01361    0.01398
 41 O     0.00000    0.00805   -0.00945
 42 O    -0.00000    0.01855   -0.01007
 43 Pt   -0.00000    0.01203   -0.01042
 44 Pt   -0.00000    0.00330   -0.00262
 45 O    -0.05967   -0.09752    0.06910
 46 O     0.05967   -0.09752    0.06910
 47 O     0.00000   -0.02848   -0.01372
 48 O    -0.00000    0.02115    1.17378
 49 Pt    0.00000   -0.02277   -0.38561
 50 Pt   -0.00000    0.02099   -0.43633
 51 O    -1.68964   -0.01395   -0.71935
 52 O     1.68964   -0.01395   -0.71935
 53 O     0.00000   -0.02369   -1.39987
 54 O     0.00000   -0.00116    1.77741
 55 Pt    0.00000   -0.01204    0.51508
 56 Pt   -0.00000    0.16560    0.62154
 57 O    -1.61235    0.01372    0.09816
 58 O     1.61235    0.01372    0.09816
 59 O     0.00000   -0.02122   -0.51258
 60 O     0.00000   -0.05055   -0.04998
 61 Pt   -0.00000    0.01228   -0.00484
 62 Pt   -0.00000    0.01850   -0.00520
 63 O    -0.00256   -0.00813    0.00089
 64 O     0.00256   -0.00813    0.00089
 65 O     0.00000   -0.00630   -0.00436
 66 O     0.00000    0.00516    0.00188
 67 Pt   -0.00000    0.00673    0.00344
 68 Pt   -0.00000    0.07650   -0.03013
 69 O    -0.00390   -0.00565   -0.00052
 70 O     0.00390   -0.00565   -0.00052
 71 O    -0.00000    0.01100   -0.00835
 72 N     0.00000   -0.11328    0.12222
 73 N    -0.00000    0.17962   -0.15734

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    2.129871   24.357300    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.743260   23.322147    ( 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  16:57:53  -4.15   +inf  -414.291313    3      1      
iter:   2  17:00:00  -4.97  -4.26  -414.291928    2      1      
iter:   3  17:02:07  -5.44  -3.78  -414.291502    2      1      
iter:   4  17:04:15  -5.71  -4.23  -414.291351    2      1      
iter:   5  17:06:22  -5.81  -4.34  -414.291769    3      1      
iter:   6  17:08:30  -6.26  -4.49  -414.291401    2      1      
iter:   7  17:10:38  -6.77  -4.82  -414.291466    2      1      
iter:   8  17:12:46  -6.78  -4.92  -414.291439    2      1      
iter:   9  17:14:54  -7.28  -4.47  -414.291430    2      1      
iter:  10  17:17:01  -7.36  -4.87  -414.291419    2      1      
iter:  11  17:19:09  -7.53  -5.18  -414.291427    2      1      

Converged after 11 iterations.

Dipole moment: (-55.961087, -33.009269, 0.297399) |e|*Ang

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

Kinetic:        +19.419617
Potential:     -137.236894
External:        +0.000000
XC:            -306.229355
Entropy (-ST):   -1.547089
Local:          +10.528750
--------------------------
Free energy:   -415.064972
Extrapolated:  -414.291427

Fermi level: -6.28622

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36924    0.15476
  0   340     -6.34218    0.14142
  0   341     -6.34029    0.14044
  0   342     -6.30530    0.12168

  1   339     -6.26424    0.19790
  1   340     -6.21364    0.14494
  1   341     -6.17281    0.10818
  1   342     -6.17273    0.10811



Forces in eV/Ang:
  0 O     0.00000   -0.01738    1.17334
  1 Pt   -0.00000    0.00927   -0.38057
  2 Pt    0.00000   -0.01911   -0.43648
  3 O    -1.68260   -0.00020   -0.71916
  4 O     1.68260   -0.00020   -0.71916
  5 O     0.00000   -0.01131   -1.41011
  6 O     0.00000   -0.00277    1.77326
  7 Pt   -0.00000    0.01317    0.45160
  8 Pt    0.00000   -0.04073    0.80098
  9 O    -1.58098    0.00113    0.04909
 10 O     1.58098    0.00113    0.04909
 11 O     0.00000   -0.00876   -0.55807
 12 O    -0.00000    0.01067    0.03504
 13 Pt   -0.00000    0.03110   -0.00302
 14 Pt    0.00000   -0.02237   -0.00035
 15 O    -0.00146    0.00961    0.00231
 16 O     0.00146    0.00961    0.00231
 17 O    -0.00000    0.02310   -0.13922
 18 O     0.00000   -0.00008    0.01422
 19 Pt    0.00000   -0.04172   -0.01561
 20 Pt    0.00000   -0.09063    0.07565
 21 O    -0.06614    0.10419    0.06225
 22 O     0.06614    0.10419    0.06225
 23 O     0.00000   -0.01802   -0.00182
 24 O     0.00000    0.00030    1.15158
 25 Pt   -0.00000    0.00529   -0.38322
 26 Pt    0.00000    0.00001   -0.43449
 27 O    -1.69112    0.01380   -0.71856
 28 O     1.69112    0.01380   -0.71856
 29 O    -0.00000    0.05770   -1.38325
 30 O     0.00000   -0.00522    1.83470
 31 Pt   -0.00000    0.02004    0.51185
 32 Pt    0.00000   -0.18399    0.54436
 33 O    -1.61360   -0.01977    0.06801
 34 O     1.61360   -0.01977    0.06801
 35 O     0.00000   -0.03264   -0.52031
 36 O    -0.00000    0.05318   -0.04790
 37 Pt    0.00000   -0.06498   -0.01169
 38 Pt    0.00000   -0.00347   -0.01089
 39 O     0.00832    0.01355    0.01475
 40 O    -0.00832    0.01355    0.01475
 41 O     0.00000    0.00807   -0.00917
 42 O    -0.00000    0.01870   -0.00952
 43 Pt   -0.00000    0.01185   -0.00998
 44 Pt   -0.00000    0.00376   -0.00228
 45 O    -0.05876   -0.09673    0.06823
 46 O     0.05876   -0.09673    0.06823
 47 O     0.00000   -0.02859   -0.01324
 48 O    -0.00000    0.02116    1.17358
 49 Pt    0.00000   -0.02276   -0.38575
 50 Pt   -0.00000    0.02102   -0.43635
 51 O    -1.68945   -0.01393   -0.71953
 52 O     1.68945   -0.01393   -0.71953
 53 O     0.00000   -0.02369   -1.39996
 54 O     0.00000   -0.00122    1.77761
 55 Pt    0.00000   -0.01205    0.51511
 56 Pt   -0.00000    0.16558    0.62140
 57 O    -1.61240    0.01374    0.09828
 58 O     1.61240    0.01374    0.09828
 59 O     0.00000   -0.02126   -0.51193
 60 O     0.00000   -0.05023   -0.04926
 61 Pt   -0.00000    0.01216   -0.00408
 62 Pt   -0.00000    0.01840   -0.00447
 63 O    -0.00244   -0.00817    0.00163
 64 O     0.00244   -0.00817    0.00163
 65 O     0.00000   -0.00636   -0.00355
 66 O     0.00000    0.00512    0.00241
 67 Pt   -0.00000    0.00670    0.00380
 68 Pt   -0.00000    0.07650   -0.02935
 69 O    -0.00367   -0.00551   -0.00022
 70 O     0.00367   -0.00551   -0.00022
 71 O    -0.00000    0.01106   -0.00816
 72 N     0.00000   -0.14278    0.11716
 73 N    -0.00000    0.10917   -0.13475

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    2.131788   24.359568    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.747956   23.323370    ( 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  17:42:14  -4.21   +inf  -414.291635    3      1      
iter:   2  17:44:21  -5.05  -4.20  -414.293408    3      1      
iter:   3  17:46:28  -5.52  -3.54  -414.292095    2      1      
iter:   4  17:48:35  -5.97  -4.43  -414.291627    2      1      
iter:   5  17:50:42  -6.00  -4.43  -414.291967    3      1      
iter:   6  17:52:48  -6.20  -4.44  -414.291856    2      1      
iter:   7  17:54:56  -6.71  -4.86  -414.291820    2      1      
iter:   8  17:57:02  -6.93  -5.15  -414.291790    2      1      
iter:   9  17:59:10  -7.23  -4.89  -414.291718    2      1      
iter:  10  18:01:17  -7.52  -4.70  -414.291888    2      1      

Converged after 10 iterations.

Dipole moment: (-55.961089, -33.007703, 0.297544) |e|*Ang

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

Kinetic:        +19.405640
Potential:     -137.228089
External:        +0.000000
XC:            -306.224676
Entropy (-ST):   -1.546891
Local:          +10.528682
--------------------------
Free energy:   -415.065334
Extrapolated:  -414.291888

Fermi level: -6.28626

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36926    0.15474
  0   340     -6.34227    0.14144
  0   341     -6.34037    0.14046
  0   342     -6.30531    0.12167

  1   339     -6.26418    0.19779
  1   340     -6.21374    0.14500
  1   341     -6.17277    0.10812
  1   342     -6.17275    0.10810



Forces in eV/Ang:
  0 O     0.00000   -0.01741    1.17327
  1 Pt   -0.00000    0.00923   -0.38134
  2 Pt    0.00000   -0.01914   -0.43728
  3 O    -1.68287   -0.00022   -0.71939
  4 O     1.68287   -0.00022   -0.71939
  5 O     0.00000   -0.01128   -1.41031
  6 O     0.00000   -0.00276    1.77235
  7 Pt   -0.00000    0.01319    0.45103
  8 Pt    0.00000   -0.04080    0.80041
  9 O    -1.58068    0.00116    0.04877
 10 O     1.58068    0.00116    0.04877
 11 O     0.00000   -0.00873   -0.55826
 12 O    -0.00000    0.01044    0.03507
 13 Pt   -0.00000    0.03136   -0.00288
 14 Pt    0.00000   -0.02217    0.00007
 15 O    -0.00122    0.00956    0.00233
 16 O     0.00122    0.00956    0.00233
 17 O    -0.00000    0.01846   -0.13807
 18 O     0.00000    0.00003    0.01421
 19 Pt    0.00000   -0.04167   -0.01401
 20 Pt    0.00000   -0.08014    0.07745
 21 O    -0.06741    0.10572    0.06466
 22 O     0.06741    0.10572    0.06466
 23 O     0.00000   -0.01814   -0.00193
 24 O     0.00000    0.00033    1.15153
 25 Pt   -0.00000    0.00532   -0.38398
 26 Pt    0.00000    0.00004   -0.43530
 27 O    -1.69137    0.01380   -0.71879
 28 O     1.69137    0.01380   -0.71879
 29 O    -0.00000    0.05771   -1.38359
 30 O     0.00000   -0.00530    1.83379
 31 Pt   -0.00000    0.02005    0.51136
 32 Pt    0.00000   -0.18405    0.54401
 33 O    -1.61332   -0.01974    0.06775
 34 O     1.61332   -0.01974    0.06775
 35 O     0.00000   -0.03268   -0.52042
 36 O    -0.00000    0.05348   -0.04814
 37 Pt    0.00000   -0.06403   -0.01146
 38 Pt    0.00000   -0.00346   -0.01037
 39 O     0.00858    0.01367    0.01477
 40 O    -0.00858    0.01367    0.01477
 41 O     0.00000    0.00820   -0.00812
 42 O    -0.00000    0.01872   -0.00968
 43 Pt   -0.00000    0.01183   -0.00977
 44 Pt   -0.00000    0.00400   -0.00182
 45 O    -0.05829   -0.09666    0.06738
 46 O     0.05829   -0.09666    0.06738
 47 O     0.00000   -0.02856   -0.01323
 48 O    -0.00000    0.02117    1.17353
 49 Pt    0.00000   -0.02277   -0.38654
 50 Pt   -0.00000    0.02102   -0.43720
 51 O    -1.68972   -0.01391   -0.71976
 52 O     1.68972   -0.01391   -0.71976
 53 O     0.00000   -0.02365   -1.40024
 54 O     0.00000   -0.00115    1.77652
 55 Pt    0.00000   -0.01210    0.51463
 56 Pt   -0.00000    0.16557    0.62092
 57 O    -1.61209    0.01372    0.09800
 58 O     1.61209    0.01372    0.09800
 59 O     0.00000   -0.02124   -0.51204
 60 O     0.00000   -0.05043   -0.04951
 61 Pt   -0.00000    0.01201   -0.00376
 62 Pt   -0.00000    0.01817   -0.00402
 63 O    -0.00227   -0.00824    0.00161
 64 O     0.00227   -0.00824    0.00161
 65 O     0.00000   -0.00644   -0.00161
 66 O     0.00000    0.00501    0.00231
 67 Pt   -0.00000    0.00669    0.00463
 68 Pt   -0.00000    0.07688   -0.02818
 69 O    -0.00389   -0.00541    0.00009
 70 O     0.00389   -0.00541    0.00009
 71 O    -0.00000    0.01117   -0.00814
 72 N     0.00000   -0.13508    0.09313
 73 N    -0.00000    0.07150   -0.12873

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    2.134044   24.361416    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.751790   23.324933    ( 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  18:29:13  -4.32   +inf  -414.290190    3      1      
iter:   2  18:31:18  -4.65  -3.49  -414.324043    3      1      
iter:   3  18:33:22  -4.77  -2.89  -414.297799    3      1      
iter:   4  18:35:26  -5.30  -3.39  -414.291943    3      1      
iter:   5  18:37:51  -5.92  -4.58  -414.291775    2      1      
iter:   6  18:39:55  -6.22  -4.58  -414.291858    2      1      
iter:   7  18:41:58  -6.60  -4.75  -414.291863    2      1      
iter:   8  18:44:02  -6.98  -4.99  -414.291870    2      1      
iter:   9  18:46:06  -7.27  -5.12  -414.291984    2      1      
iter:  10  18:48:09  -7.48  -4.85  -414.291804    2      1      

Converged after 10 iterations.

Dipole moment: (-55.961090, -33.005985, 0.297708) |e|*Ang

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

Kinetic:        +19.468021
Potential:     -137.284711
External:        +0.000000
XC:            -306.230462
Entropy (-ST):   -1.547150
Local:          +10.528923
--------------------------
Free energy:   -415.065378
Extrapolated:  -414.291804

Fermi level: -6.28585

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36891    0.15478
  0   340     -6.34177    0.14140
  0   341     -6.33988    0.14042
  0   342     -6.30509    0.12177

  1   339     -6.26395    0.19799
  1   340     -6.21319    0.14487
  1   341     -6.17247    0.10821
  1   342     -6.17244    0.10818



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17356
  1 Pt   -0.00000    0.00922   -0.37943
  2 Pt    0.00000   -0.01913   -0.43568
  3 O    -1.68247   -0.00019   -0.71880
  4 O     1.68247   -0.00019   -0.71880
  5 O     0.00000   -0.01122   -1.40935
  6 O     0.00000   -0.00269    1.77408
  7 Pt   -0.00000    0.01315    0.45226
  8 Pt    0.00000   -0.04083    0.80093
  9 O    -1.58139    0.00114    0.04940
 10 O     1.58139    0.00114    0.04940
 11 O     0.00000   -0.00873   -0.55809
 12 O    -0.00000    0.01015    0.03558
 13 Pt   -0.00000    0.03179   -0.00444
 14 Pt    0.00000   -0.02237   -0.00088
 15 O    -0.00191    0.00960    0.00201
 16 O     0.00191    0.00960    0.00201
 17 O    -0.00000    0.01487   -0.13922
 18 O     0.00000    0.00017    0.01366
 19 Pt    0.00000   -0.04212   -0.01622
 20 Pt    0.00000   -0.07238    0.07542
 21 O    -0.06794    0.10688    0.06617
 22 O     0.06794    0.10688    0.06617
 23 O     0.00000   -0.01821   -0.00222
 24 O     0.00000    0.00030    1.15178
 25 Pt   -0.00000    0.00533   -0.38202
 26 Pt    0.00000   -0.00002   -0.43359
 27 O    -1.69096    0.01378   -0.71819
 28 O     1.69096    0.01378   -0.71819
 29 O    -0.00000    0.05771   -1.38269
 30 O     0.00000   -0.00522    1.83582
 31 Pt   -0.00000    0.02005    0.51241
 32 Pt    0.00000   -0.18392    0.54454
 33 O    -1.61406   -0.01970    0.06833
 34 O     1.61406   -0.01970    0.06833
 35 O     0.00000   -0.03262   -0.52041
 36 O    -0.00000    0.05360   -0.04842
 37 Pt    0.00000   -0.06370   -0.01283
 38 Pt    0.00000   -0.00348   -0.01129
 39 O     0.00802    0.01350    0.01450
 40 O    -0.00802    0.01350    0.01450
 41 O     0.00000    0.00805   -0.01237
 42 O    -0.00000    0.01849   -0.00996
 43 Pt   -0.00000    0.01217   -0.01292
 44 Pt   -0.00000    0.00420   -0.00411
 45 O    -0.05796   -0.09664    0.06636
 46 O     0.05796   -0.09664    0.06636
 47 O     0.00000   -0.02828   -0.01338
 48 O    -0.00000    0.02122    1.17378
 49 Pt    0.00000   -0.02278   -0.38455
 50 Pt   -0.00000    0.02107   -0.43552
 51 O    -1.68928   -0.01392   -0.71917
 52 O     1.68928   -0.01392   -0.71917
 53 O     0.00000   -0.02366   -1.39934
 54 O     0.00000   -0.00130    1.77858
 55 Pt    0.00000   -0.01207    0.51572
 56 Pt   -0.00000    0.16537    0.62157
 57 O    -1.61284    0.01372    0.09856
 58 O     1.61284    0.01372    0.09856
 59 O     0.00000   -0.02131   -0.51194
 60 O     0.00000   -0.05035   -0.04953
 61 Pt   -0.00000    0.01211   -0.00534
 62 Pt   -0.00000    0.01840   -0.00494
 63 O    -0.00295   -0.00811    0.00136
 64 O     0.00295   -0.00811    0.00136
 65 O     0.00000   -0.00608   -0.00669
 66 O     0.00000    0.00512    0.00204
 67 Pt   -0.00000    0.00680    0.00265
 68 Pt   -0.00000    0.07686   -0.03018
 69 O    -0.00317   -0.00545   -0.00012
 70 O     0.00317   -0.00545   -0.00012
 71 O    -0.00000    0.01098   -0.00838
 72 N     0.00000   -0.11916    0.11580
 73 N    -0.00000    0.05860   -0.14925

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   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    2.136171   24.364399    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.759022   23.325604    ( 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  19:11:17  -3.87   +inf  -414.295905    3      1      
iter:   2  19:13:22  -4.46  -3.54  -414.319638    3      1      
iter:   3  19:15:27  -4.72  -2.87  -414.291407    3      1      
iter:   4  19:17:34  -5.26  -3.66  -414.292754    3      1      
iter:   5  19:19:41  -5.47  -4.36  -414.292359    3      1      
iter:   6  19:21:47  -5.75  -4.29  -414.292459    2      1      
iter:   7  19:23:54  -6.35  -4.43  -414.292380    2      1      
iter:   8  19:26:00  -6.72  -4.90  -414.292483    2      1      
iter:   9  19:28:05  -6.74  -4.44  -414.292420    2      1      
iter:  10  19:30:08  -6.96  -4.48  -414.292266    2      1      
iter:  11  19:32:11  -7.32  -4.91  -414.292384    2      1      
iter:  12  19:34:14  -7.68  -5.11  -414.292367    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961083, -33.003990, 0.297928) |e|*Ang

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

Kinetic:        +19.368833
Potential:     -137.202334
External:        +0.000000
XC:            -306.212918
Entropy (-ST):   -1.546948
Local:          +10.527526
--------------------------
Free energy:   -415.065841
Extrapolated:  -414.292367

Fermi level: -6.28561

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36861    0.15475
  0   340     -6.34169    0.14148
  0   341     -6.33980    0.14050
  0   342     -6.30474    0.12171

  1   339     -6.26365    0.19792
  1   340     -6.21309    0.14500
  1   341     -6.17217    0.10816
  1   342     -6.17215    0.10814



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17337
  1 Pt   -0.00000    0.00921   -0.38026
  2 Pt    0.00000   -0.01914   -0.43641
  3 O    -1.68221   -0.00017   -0.71918
  4 O     1.68221   -0.00017   -0.71918
  5 O     0.00000   -0.01117   -1.41032
  6 O     0.00000   -0.00270    1.77444
  7 Pt   -0.00000    0.01313    0.45223
  8 Pt    0.00000   -0.04101    0.80084
  9 O    -1.58119    0.00113    0.04913
 10 O     1.58119    0.00113    0.04913
 11 O     0.00000   -0.00875   -0.55748
 12 O    -0.00000    0.00977    0.03560
 13 Pt   -0.00000    0.03216   -0.00323
 14 Pt    0.00000   -0.02230   -0.00004
 15 O    -0.00204    0.00956    0.00252
 16 O     0.00204    0.00956    0.00252
 17 O    -0.00000    0.00760   -0.13633
 18 O     0.00000    0.00003    0.01403
 19 Pt    0.00000   -0.04171   -0.01370
 20 Pt    0.00000   -0.05551    0.07775
 21 O    -0.06912    0.10847    0.06785
 22 O     0.06912    0.10847    0.06785
 23 O     0.00000   -0.01776   -0.00175
 24 O     0.00000    0.00032    1.15160
 25 Pt   -0.00000    0.00534   -0.38288
 26 Pt    0.00000   -0.00003   -0.43429
 27 O    -1.69068    0.01375   -0.71857
 28 O     1.69068    0.01375   -0.71857
 29 O    -0.00000    0.05774   -1.38370
 30 O     0.00000   -0.00521    1.83631
 31 Pt   -0.00000    0.02004    0.51240
 32 Pt    0.00000   -0.18400    0.54455
 33 O    -1.61386   -0.01968    0.06811
 34 O     1.61386   -0.01968    0.06811
 35 O     0.00000   -0.03262   -0.51977
 36 O    -0.00000    0.05376   -0.04844
 37 Pt    0.00000   -0.06217   -0.01139
 38 Pt    0.00000   -0.00353   -0.01049
 39 O     0.00797    0.01352    0.01498
 40 O    -0.00797    0.01352    0.01498
 41 O     0.00000    0.00821   -0.00752
 42 O    -0.00000    0.01866   -0.00974
 43 Pt   -0.00000    0.01183   -0.01111
 44 Pt   -0.00000    0.00439   -0.00226
 45 O    -0.05758   -0.09578    0.06474
 46 O     0.05758   -0.09578    0.06474
 47 O     0.00000   -0.02861   -0.01295
 48 O    -0.00000    0.02122    1.17358
 49 Pt    0.00000   -0.02280   -0.38540
 50 Pt   -0.00000    0.02108   -0.43623
 51 O    -1.68899   -0.01390   -0.71956
 52 O     1.68899   -0.01390   -0.71956
 53 O     0.00000   -0.02364   -1.40020
 54 O     0.00000   -0.00130    1.77903
 55 Pt    0.00000   -0.01205    0.51575
 56 Pt   -0.00000    0.16540    0.62146
 57 O    -1.61261    0.01374    0.09832
 58 O     1.61261    0.01374    0.09832
 59 O     0.00000   -0.02129   -0.51130
 60 O     0.00000   -0.05032   -0.04946
 61 Pt   -0.00000    0.01197   -0.00373
 62 Pt   -0.00000    0.01837   -0.00419
 63 O    -0.00299   -0.00811    0.00175
 64 O     0.00299   -0.00811    0.00175
 65 O     0.00000   -0.00605   -0.00158
 66 O     0.00000    0.00515    0.00220
 67 Pt   -0.00000    0.00666    0.00413
 68 Pt   -0.00000    0.07667   -0.02943
 69 O    -0.00414   -0.00542   -0.00046
 70 O     0.00414   -0.00542   -0.00046
 71 O    -0.00000    0.01101   -0.00844
 72 N     0.00000   -0.14773    0.04942
 73 N    -0.00000    0.04635   -0.11455

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   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    2.138643   24.367153    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.765738   23.326753    ( 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  20:05:54  -3.93   +inf  -414.301084    3      1      
iter:   2  20:08:01  -3.90  -3.11  -414.583781    3      1      
iter:   3  20:10:09  -4.14  -2.38  -414.293507    2      1      
iter:   4  20:12:17  -4.94  -4.10  -414.292395    2      1      
iter:   5  20:14:24  -5.36  -4.33  -414.292708    2      1      
iter:   6  20:16:32  -5.62  -4.39  -414.292283    3      1      
iter:   7  20:18:39  -5.99  -4.48  -414.292348    2      1      
iter:   8  20:20:47  -6.34  -4.64  -414.292338    2      1      
iter:   9  20:22:54  -6.68  -4.81  -414.292393    2      1      
iter:  10  20:25:02  -6.95  -4.99  -414.292296    2      1      
iter:  11  20:27:08  -7.71  -4.88  -414.292313    2      1      

Converged after 11 iterations.

Dipole moment: (-55.961127, -33.001824, 0.297657) |e|*Ang

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

Kinetic:        +19.337715
Potential:     -137.179368
External:        +0.000000
XC:            -306.205090
Entropy (-ST):   -1.546957
Local:          +10.527908
--------------------------
Free energy:   -415.065792
Extrapolated:  -414.292313

Fermi level: -6.28545

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36835    0.15470
  0   340     -6.34172    0.14158
  0   341     -6.33983    0.14060
  0   342     -6.30456    0.12170

  1   339     -6.26363    0.19807
  1   340     -6.21304    0.14511
  1   341     -6.17207    0.10821
  1   342     -6.17195    0.10811



Forces in eV/Ang:
  0 O     0.00000   -0.01748    1.17316
  1 Pt   -0.00000    0.00923   -0.38034
  2 Pt    0.00000   -0.01912   -0.43618
  3 O    -1.68103   -0.00018   -0.71954
  4 O     1.68103   -0.00018   -0.71954
  5 O     0.00000   -0.01114   -1.41105
  6 O     0.00000   -0.00274    1.77871
  7 Pt   -0.00000    0.01315    0.45238
  8 Pt    0.00000   -0.04122    0.80112
  9 O    -1.58098    0.00114    0.04836
 10 O     1.58098    0.00114    0.04836
 11 O     0.00000   -0.00877   -0.55926
 12 O    -0.00000    0.00938    0.03434
 13 Pt   -0.00000    0.03231   -0.00423
 14 Pt    0.00000   -0.02212    0.00006
 15 O    -0.00185    0.00961    0.00171
 16 O     0.00185    0.00961    0.00171
 17 O    -0.00000    0.00098   -0.13488
 18 O     0.00000    0.00028    0.01278
 19 Pt    0.00000   -0.04183   -0.01284
 20 Pt    0.00000   -0.04103    0.07873
 21 O    -0.07123    0.11133    0.07205
 22 O     0.07123    0.11133    0.07205
 23 O     0.00000   -0.01817   -0.00108
 24 O     0.00000    0.00032    1.15137
 25 Pt   -0.00000    0.00533   -0.38301
 26 Pt    0.00000   -0.00002   -0.43412
 27 O    -1.68953    0.01378   -0.71894
 28 O     1.68953    0.01378   -0.71894
 29 O    -0.00000    0.05781   -1.38446
 30 O     0.00000   -0.00523    1.84027
 31 Pt   -0.00000    0.02001    0.51255
 32 Pt    0.00000   -0.18404    0.54504
 33 O    -1.61363   -0.01966    0.06740
 34 O     1.61363   -0.01966    0.06740
 35 O     0.00000   -0.03261   -0.52149
 36 O    -0.00000    0.05380   -0.04964
 37 Pt    0.00000   -0.06075   -0.01215
 38 Pt    0.00000   -0.00350   -0.01017
 39 O     0.00817    0.01348    0.01423
 40 O    -0.00817    0.01348    0.01423
 41 O     0.00000    0.00863   -0.00802
 42 O    -0.00000    0.01851   -0.01081
 43 Pt   -0.00000    0.01201   -0.01294
 44 Pt   -0.00000    0.00481   -0.00337
 45 O    -0.05654   -0.09581    0.06230
 46 O     0.05654   -0.09581    0.06230
 47 O     0.00000   -0.02836   -0.01260
 48 O    -0.00000    0.02122    1.17335
 49 Pt    0.00000   -0.02283   -0.38549
 50 Pt   -0.00000    0.02105   -0.43602
 51 O    -1.68786   -0.01392   -0.71992
 52 O     1.68786   -0.01392   -0.71992
 53 O     0.00000   -0.02363   -1.40078
 54 O     0.00000   -0.00123    1.78320
 55 Pt    0.00000   -0.01205    0.51593
 56 Pt   -0.00000    0.16545    0.62172
 57 O    -1.61238    0.01375    0.09759
 58 O     1.61238    0.01375    0.09759
 59 O     0.00000   -0.02128   -0.51311
 60 O     0.00000   -0.05012   -0.05053
 61 Pt   -0.00000    0.01189   -0.00443
 62 Pt   -0.00000    0.01813   -0.00395
 63 O    -0.00286   -0.00812    0.00095
 64 O     0.00286   -0.00812    0.00095
 65 O     0.00000   -0.00630   -0.00097
 66 O     0.00000    0.00507    0.00120
 67 Pt   -0.00000    0.00671    0.00337
 68 Pt   -0.00000    0.07748   -0.02818
 69 O    -0.00381   -0.00524    0.00003
 70 O     0.00381   -0.00524    0.00003
 71 O    -0.00000    0.01112   -0.00796
 72 N     0.00000   -0.15704    0.03180
 73 N     0.00000   -0.00970   -0.11065

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   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    2.141402   24.369800    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.771252   23.328050    ( 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  20:53:00  -3.94   +inf  -414.385893    3      1      
iter:   2  20:55:05  -2.97  -2.63  -416.870875    3      1      
iter:   3  20:57:09  -3.33  -1.92  -414.308910    3      1      
iter:   4  20:59:14  -3.89  -3.00  -414.295679    3      1      
iter:   5  21:01:16  -4.47  -3.69  -414.292876    3      1      
iter:   6  21:03:18  -4.82  -3.88  -414.292194    3      1      
iter:   7  21:05:19  -5.29  -4.34  -414.292125    2      1      
iter:   8  21:07:23  -5.86  -4.51  -414.292112    2      1      
iter:   9  21:09:27  -6.18  -4.38  -414.292042    2      1      
iter:  10  21:11:32  -6.51  -4.60  -414.291965    2      1      
iter:  11  21:13:36  -6.96  -4.88  -414.292057    2      1      
iter:  12  21:15:38  -7.12  -4.92  -414.291885    2      1      
iter:  13  21:17:41  -7.36  -4.89  -414.291968    2      1      
iter:  14  21:19:43  -7.87  -5.19  -414.291938    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961070, -32.999518, 0.298074) |e|*Ang

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

Kinetic:        +19.279553
Potential:     -137.135853
External:        +0.000000
XC:            -306.189767
Entropy (-ST):   -1.546884
Local:          +10.527570
--------------------------
Free energy:   -415.065380
Extrapolated:  -414.291938

Fermi level: -6.28544

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36845    0.15475
  0   340     -6.34151    0.14147
  0   341     -6.33962    0.14050
  0   342     -6.30461    0.12173

  1   339     -6.26351    0.19796
  1   340     -6.21292    0.14500
  1   341     -6.17200    0.10816
  1   342     -6.17198    0.10814



Forces in eV/Ang:
  0 O     0.00000   -0.01749    1.17312
  1 Pt   -0.00000    0.00919   -0.38041
  2 Pt    0.00000   -0.01910   -0.43610
  3 O    -1.68222   -0.00019   -0.71935
  4 O     1.68222   -0.00019   -0.71935
  5 O     0.00000   -0.01112   -1.41048
  6 O     0.00000   -0.00275    1.77527
  7 Pt   -0.00000    0.01316    0.45198
  8 Pt    0.00000   -0.04133    0.80103
  9 O    -1.58094    0.00117    0.04896
 10 O     1.58094    0.00117    0.04896
 11 O     0.00000   -0.00876   -0.55830
 12 O    -0.00000    0.00915    0.03536
 13 Pt   -0.00000    0.03297   -0.00410
 14 Pt    0.00000   -0.02209   -0.00021
 15 O    -0.00165    0.00961    0.00249
 16 O     0.00165    0.00961    0.00249
 17 O     0.00000   -0.00398   -0.13520
 18 O     0.00000    0.00022    0.01382
 19 Pt    0.00000   -0.04161   -0.01270
 20 Pt    0.00000   -0.02936    0.07943
 21 O    -0.07076    0.11126    0.07301
 22 O     0.07076    0.11126    0.07301
 23 O     0.00000   -0.01755   -0.00175
 24 O     0.00000    0.00034    1.15136
 25 Pt   -0.00000    0.00538   -0.38307
 26 Pt    0.00000    0.00000   -0.43407
 27 O    -1.69071    0.01379   -0.71874
 28 O     1.69071    0.01379   -0.71874
 29 O    -0.00000    0.05782   -1.38409
 30 O     0.00000   -0.00524    1.83668
 31 Pt   -0.00000    0.01996    0.51211
 32 Pt    0.00000   -0.18404    0.54512
 33 O    -1.61362   -0.01969    0.06801
 34 O     1.61362   -0.01969    0.06801
 35 O     0.00000   -0.03262   -0.52050
 36 O    -0.00000    0.05419   -0.04928
 37 Pt    0.00000   -0.05995   -0.01202
 38 Pt    0.00000   -0.00356   -0.01056
 39 O     0.00848    0.01345    0.01495
 40 O    -0.00848    0.01345    0.01495
 41 O     0.00000    0.00848   -0.00869
 42 O    -0.00000    0.01862   -0.00996
 43 Pt   -0.00000    0.01168   -0.01247
 44 Pt   -0.00000    0.00472   -0.00242
 45 O    -0.05623   -0.09508    0.06316
 46 O     0.05623   -0.09508    0.06316
 47 O     0.00000   -0.02859   -0.01262
 48 O    -0.00000    0.02121    1.17333
 49 Pt    0.00000   -0.02286   -0.38557
 50 Pt   -0.00000    0.02102   -0.43596
 51 O    -1.68906   -0.01392   -0.71972
 52 O     1.68906   -0.01392   -0.71972
 53 O     0.00000   -0.02359   -1.40035
 54 O     0.00000   -0.00122    1.77966
 55 Pt    0.00000   -0.01203    0.51547
 56 Pt   -0.00000    0.16542    0.62174
 57 O    -1.61233    0.01379    0.09816
 58 O     1.61233    0.01379    0.09816
 59 O     0.00000   -0.02127   -0.51208
 60 O     0.00000   -0.05036   -0.05009
 61 Pt   -0.00000    0.01179   -0.00406
 62 Pt   -0.00000    0.01819   -0.00437
 63 O    -0.00252   -0.00811    0.00163
 64 O     0.00252   -0.00811    0.00163
 65 O     0.00000   -0.00611   -0.00168
 66 O     0.00000    0.00508    0.00195
 67 Pt   -0.00000    0.00666    0.00391
 68 Pt   -0.00000    0.07670   -0.02969
 69 O    -0.00402   -0.00521    0.00020
 70 O     0.00402   -0.00521    0.00020
 71 O    -0.00000    0.01094   -0.00851
 72 N     0.00000   -0.16935   -0.00784
 73 N     0.00000   -0.01194   -0.04751

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   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    2.144280   24.372346    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.778390   23.330582    ( 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  21:37:46  -3.86   +inf  -414.297424    3      1      
iter:   2  21:39:49  -4.21  -3.31  -414.394266    3      1      
iter:   3  21:41:52  -4.45  -2.59  -414.290090    2      1      
iter:   4  21:43:56  -5.10  -3.79  -414.291634    3      1      
iter:   5  21:46:00  -5.54  -4.41  -414.291280    2      1      
iter:   6  21:48:03  -5.69  -4.29  -414.291462    2      1      
iter:   7  21:50:05  -5.83  -4.49  -414.291425    2      1      
iter:   8  21:52:08  -6.19  -4.80  -414.291467    2      1      
iter:   9  21:54:13  -6.63  -4.35  -414.291434    2      1      
iter:  10  21:56:18  -7.09  -4.60  -414.291403    2      1      
iter:  11  21:58:22  -7.14  -4.97  -414.291470    2      1      
iter:  12  22:00:27  -7.74  -4.99  -414.291301    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961064, -32.997077, 0.298526) |e|*Ang

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

Kinetic:        +19.544048
Potential:     -137.358396
External:        +0.000000
XC:            -306.233025
Entropy (-ST):   -1.547024
Local:          +10.529584
--------------------------
Free energy:   -415.064812
Extrapolated:  -414.291301

Fermi level: -6.28486

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36790    0.15477
  0   340     -6.34091    0.14146
  0   341     -6.33902    0.14049
  0   342     -6.30418    0.12181

  1   339     -6.26304    0.19808
  1   340     -6.21228    0.14495
  1   341     -6.17151    0.10823
  1   342     -6.17145    0.10818



Forces in eV/Ang:
  0 O     0.00000   -0.01752    1.17338
  1 Pt   -0.00000    0.00914   -0.38002
  2 Pt    0.00000   -0.01910   -0.43615
  3 O    -1.68179   -0.00018   -0.71936
  4 O     1.68179   -0.00018   -0.71936
  5 O     0.00000   -0.01108   -1.41034
  6 O     0.00000   -0.00278    1.77583
  7 Pt   -0.00000    0.01318    0.45230
  8 Pt    0.00000   -0.04152    0.80117
  9 O    -1.58127    0.00113    0.04884
 10 O     1.58127    0.00113    0.04884
 11 O     0.00000   -0.00878   -0.55870
 12 O    -0.00000    0.00883    0.03633
 13 Pt   -0.00000    0.03355   -0.00538
 14 Pt    0.00000   -0.02192   -0.00103
 15 O    -0.00195    0.00966    0.00219
 16 O     0.00195    0.00966    0.00219
 17 O     0.00000   -0.01063   -0.13635
 18 O     0.00000    0.00026    0.01412
 19 Pt    0.00000   -0.04193   -0.01368
 20 Pt    0.00000   -0.01580    0.07484
 21 O    -0.07223    0.11327    0.07613
 22 O     0.07223    0.11327    0.07613
 23 O     0.00000   -0.01782   -0.00332
 24 O     0.00000    0.00032    1.15162
 25 Pt   -0.00000    0.00541   -0.38272
 26 Pt    0.00000   -0.00002   -0.43409
 27 O    -1.69029    0.01379   -0.71876
 28 O     1.69029    0.01379   -0.71876
 29 O    -0.00000    0.05784   -1.38428
 30 O     0.00000   -0.00518    1.83726
 31 Pt   -0.00000    0.01992    0.51245
 32 Pt    0.00000   -0.18392    0.54549
 33 O    -1.61394   -0.01965    0.06795
 34 O     1.61394   -0.01965    0.06795
 35 O     0.00000   -0.03260   -0.52088
 36 O    -0.00000    0.05469   -0.04937
 37 Pt    0.00000   -0.05885   -0.01316
 38 Pt    0.00000   -0.00371   -0.01115
 39 O     0.00820    0.01341    0.01470
 40 O    -0.00820    0.01341    0.01470
 41 O     0.00000    0.00842   -0.01128
 42 O    -0.00000    0.01869   -0.00964
 43 Pt   -0.00000    0.01215   -0.01596
 44 Pt   -0.00000    0.00600   -0.00595
 45 O    -0.05539   -0.09465    0.06094
 46 O     0.05539   -0.09465    0.06094
 47 O     0.00000   -0.02813   -0.01321
 48 O    -0.00000    0.02125    1.17359
 49 Pt    0.00000   -0.02287   -0.38515
 50 Pt   -0.00000    0.02104   -0.43598
 51 O    -1.68863   -0.01393   -0.71974
 52 O     1.68863   -0.01393   -0.71974
 53 O     0.00000   -0.02355   -1.40037
 54 O     0.00000   -0.00126    1.78025
 55 Pt    0.00000   -0.01203    0.51574
 56 Pt   -0.00000    0.16530    0.62189
 57 O    -1.61269    0.01382    0.09802
 58 O     1.61269    0.01382    0.09802
 59 O     0.00000   -0.02127   -0.51257
 60 O     0.00000   -0.05066   -0.05013
 61 Pt   -0.00000    0.01166   -0.00501
 62 Pt   -0.00000    0.01817   -0.00496
 63 O    -0.00282   -0.00815    0.00139
 64 O     0.00282   -0.00815    0.00139
 65 O     0.00000   -0.00600   -0.00336
 66 O     0.00000    0.00501    0.00236
 67 Pt   -0.00000    0.00662    0.00314
 68 Pt   -0.00000    0.07664   -0.03120
 69 O    -0.00368   -0.00509    0.00035
 70 O     0.00368   -0.00509    0.00035
 71 O    -0.00000    0.01073   -0.00909
 72 N     0.00000   -0.09772    0.16186
 73 N     0.00000   -0.06451   -0.18602

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
          O      N   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    2.146907   24.376696    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.781510   23.330487    ( 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  22:20:04  -3.91   +inf  -414.354860    3      1      
iter:   2  22:22:10  -3.12  -2.71  -416.107706    3      1      
iter:   3  22:24:14  -3.48  -1.99  -414.301566    3      1      
iter:   4  22:26:16  -4.12  -3.19  -414.293922    3      1      
iter:   5  22:28:21  -4.62  -3.79  -414.291407    3      1      
iter:   6  22:30:28  -4.93  -3.69  -414.292020    3      1      
iter:   7  22:32:34  -5.19  -3.86  -414.290877    3      1      
iter:   8  22:34:41  -5.40  -4.05  -414.290793    3      1      
iter:   9  22:36:48  -5.67  -4.12  -414.290615    2      1      
iter:  10  22:38:54  -6.25  -4.37  -414.290620    2      1      
iter:  11  22:41:00  -6.36  -4.25  -414.290736    2      1      
iter:  12  22:43:06  -6.50  -4.46  -414.290422    2      1      
iter:  13  22:45:01  -6.88  -4.56  -414.290746    2      1      
iter:  14  22:46:57  -6.83  -4.59  -414.290672    2      1      
iter:  15  22:48:52  -6.72  -4.74  -414.290640    2      1      
iter:  16  22:50:47  -6.95  -4.78  -414.290601    2      1      
iter:  17  22:52:42  -7.64  -5.16  -414.290573    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961066, -32.994912, 0.298330) |e|*Ang

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

Kinetic:        +18.887176
Potential:     -136.833165
External:        +0.000000
XC:            -306.097758
Entropy (-ST):   -1.546890
Local:          +10.526619
--------------------------
Free energy:   -415.064018
Extrapolated:  -414.290573

Fermi level: -6.28530

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36836    0.15477
  0   340     -6.34134    0.14145
  0   341     -6.33945    0.14048
  0   342     -6.30460    0.12180

  1   339     -6.26338    0.19796
  1   340     -6.21274    0.14496
  1   341     -6.17192    0.10820
  1   342     -6.17183    0.10813



Forces in eV/Ang:
  0 O     0.00000   -0.01755    1.17363
  1 Pt   -0.00000    0.00911   -0.37998
  2 Pt    0.00000   -0.01910   -0.43619
  3 O    -1.68219   -0.00018   -0.71886
  4 O     1.68219   -0.00018   -0.71886
  5 O     0.00000   -0.01106   -1.40996
  6 O     0.00000   -0.00275    1.77435
  7 Pt   -0.00000    0.01314    0.45254
  8 Pt    0.00000   -0.04153    0.80094
  9 O    -1.58098    0.00115    0.04961
 10 O     1.58098    0.00115    0.04961
 11 O     0.00000   -0.00877   -0.55781
 12 O    -0.00000    0.00862    0.03672
 13 Pt   -0.00000    0.03441   -0.00399
 14 Pt    0.00000   -0.02195   -0.00022
 15 O    -0.00176    0.00957    0.00314
 16 O     0.00176    0.00957    0.00314
 17 O     0.00000   -0.01353   -0.13480
 18 O     0.00000    0.00042    0.01421
 19 Pt    0.00000   -0.04202   -0.01475
 20 Pt    0.00000   -0.00539    0.07965
 21 O    -0.07274    0.11363    0.07299
 22 O     0.07274    0.11363    0.07299
 23 O     0.00000   -0.01729   -0.00315
 24 O     0.00000    0.00034    1.15186
 25 Pt   -0.00000    0.00544   -0.38266
 26 Pt    0.00000   -0.00002   -0.43413
 27 O    -1.69068    0.01379   -0.71824
 28 O     1.69068    0.01379   -0.71824
 29 O    -0.00000    0.05786   -1.38383
 30 O     0.00000   -0.00520    1.83588
 31 Pt   -0.00000    0.01996    0.51264
 32 Pt    0.00000   -0.18396    0.54542
 33 O    -1.61368   -0.01964    0.06873
 34 O     1.61368   -0.01964    0.06873
 35 O     0.00000   -0.03260   -0.52000
 36 O    -0.00000    0.05468   -0.04894
 37 Pt    0.00000   -0.05897   -0.01162
 38 Pt    0.00000   -0.00370   -0.01050
 39 O     0.00843    0.01346    0.01567
 40 O    -0.00843    0.01346    0.01567
 41 O     0.00000    0.00836   -0.00970
 42 O    -0.00000    0.01840   -0.00951
 43 Pt   -0.00000    0.01179   -0.01572
 44 Pt   -0.00000    0.00388   -0.00602
 45 O    -0.05613   -0.09481    0.05835
 46 O     0.05613   -0.09481    0.05835
 47 O     0.00000   -0.02813   -0.01399
 48 O    -0.00000    0.02126    1.17383
 49 Pt    0.00000   -0.02288   -0.38510
 50 Pt   -0.00000    0.02105   -0.43603
 51 O    -1.68901   -0.01393   -0.71922
 52 O     1.68901   -0.01393   -0.71922
 53 O     0.00000   -0.02354   -1.39991
 54 O     0.00000   -0.00127    1.77885
 55 Pt    0.00000   -0.01203    0.51599
 56 Pt   -0.00000    0.16527    0.62192
 57 O    -1.61238    0.01381    0.09879
 58 O     1.61238    0.01381    0.09879
 59 O     0.00000   -0.02127   -0.51160
 60 O     0.00000   -0.05061   -0.04959
 61 Pt   -0.00000    0.01170   -0.00411
 62 Pt   -0.00000    0.01819   -0.00436
 63 O    -0.00274   -0.00809    0.00227
 64 O     0.00274   -0.00809    0.00227
 65 O     0.00000   -0.00575   -0.00215
 66 O     0.00000    0.00513    0.00244
 67 Pt   -0.00000    0.00677    0.00158
 68 Pt   -0.00000    0.07695   -0.03490
 69 O    -0.00437   -0.00500   -0.00210
 70 O     0.00437   -0.00500   -0.00210
 71 O    -0.00000    0.01043   -0.01046
 72 N     0.00000   -0.25922   -0.39660
 73 N    -0.00000    0.11328    0.35042

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    2.150083   24.379665    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.790496   23.333718    ( 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  23:03:53  -3.67   +inf  -414.295661    3      1      
iter:   2  23:05:59  -4.40  -3.54  -414.292158    3      1      
iter:   3  23:08:04  -4.78  -3.23  -414.292822    3      1      
iter:   4  23:10:11  -5.19  -3.32  -414.290885    3      1      
iter:   5  23:12:16  -5.56  -4.18  -414.290593    2      1      
iter:   6  23:14:22  -5.43  -4.07  -414.290529    3      1      
iter:   7  23:16:27  -5.67  -4.56  -414.290619    2      1      
iter:   8  23:18:31  -5.95  -4.48  -414.290663    2      1      
iter:   9  23:20:35  -6.37  -4.67  -414.290677    2      1      
iter:  10  23:22:40  -6.81  -4.78  -414.290392    2      1      
iter:  11  23:24:44  -7.00  -4.65  -414.290663    2      1      
iter:  12  23:26:49  -7.30  -4.92  -414.290603    2      1      
iter:  13  23:28:44  -7.53  -4.90  -414.290585    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961078, -32.991979, 0.299167) |e|*Ang

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

Kinetic:        +19.196783
Potential:     -137.083485
External:        +0.000000
XC:            -306.159493
Entropy (-ST):   -1.546795
Local:          +10.529008
--------------------------
Free energy:   -415.063983
Extrapolated:  -414.290585

Fermi level: -6.28491

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36805    0.15481
  0   340     -6.34074    0.14134
  0   341     -6.33883    0.14036
  0   342     -6.30439    0.12189

  1   339     -6.26288    0.19783
  1   340     -6.21220    0.14481
  1   341     -6.17153    0.10820
  1   342     -6.17147    0.10815



Forces in eV/Ang:
  0 O     0.00000   -0.01757    1.17364
  1 Pt   -0.00000    0.00906   -0.38067
  2 Pt    0.00000   -0.01906   -0.43664
  3 O    -1.68331   -0.00013   -0.71928
  4 O     1.68331   -0.00013   -0.71928
  5 O     0.00000   -0.01100   -1.40982
  6 O     0.00000   -0.00275    1.77021
  7 Pt   -0.00000    0.01307    0.45036
  8 Pt    0.00000   -0.04179    0.79924
  9 O    -1.58109    0.00109    0.04871
 10 O     1.58109    0.00109    0.04871
 11 O     0.00000   -0.00878   -0.55884
 12 O    -0.00000    0.00820    0.03737
 13 Pt   -0.00000    0.03520   -0.00596
 14 Pt    0.00000   -0.02192   -0.00059
 15 O    -0.00132    0.00954    0.00245
 16 O     0.00132    0.00954    0.00245
 17 O     0.00000   -0.02166   -0.13762
 18 O     0.00000    0.00017    0.01525
 19 Pt    0.00000   -0.04134   -0.01272
 20 Pt   -0.00000    0.00926    0.07614
 21 O    -0.07352    0.11617    0.08082
 22 O     0.07352    0.11617    0.08082
 23 O     0.00000   -0.01722   -0.00329
 24 O     0.00000    0.00031    1.15189
 25 Pt   -0.00000    0.00549   -0.38337
 26 Pt    0.00000   -0.00008   -0.43450
 27 O    -1.69182    0.01376   -0.71865
 28 O     1.69182    0.01376   -0.71865
 29 O    -0.00000    0.05787   -1.38409
 30 O     0.00000   -0.00518    1.83191
 31 Pt   -0.00000    0.01996    0.51037
 32 Pt    0.00000   -0.18373    0.54410
 33 O    -1.61377   -0.01959    0.06787
 34 O     1.61377   -0.01959    0.06787
 35 O     0.00000   -0.03256   -0.52098
 36 O    -0.00000    0.05563   -0.04983
 37 Pt    0.00000   -0.05751   -0.01334
 38 Pt    0.00000   -0.00365   -0.01087
 39 O     0.00911    0.01347    0.01490
 40 O    -0.00911    0.01347    0.01490
 41 O     0.00000    0.00819   -0.01346
 42 O    -0.00000    0.01878   -0.00883
 43 Pt   -0.00000    0.01176   -0.01639
 44 Pt   -0.00000    0.00628   -0.00463
 45 O    -0.05389   -0.09385    0.06051
 46 O     0.05389   -0.09385    0.06051
 47 O     0.00000   -0.02867   -0.01231
 48 O    -0.00000    0.02129    1.17384
 49 Pt    0.00000   -0.02291   -0.38575
 50 Pt   -0.00000    0.02107   -0.43638
 51 O    -1.69012   -0.01395   -0.71964
 52 O     1.69012   -0.01395   -0.71964
 53 O     0.00000   -0.02349   -1.40002
 54 O     0.00000   -0.00129    1.77512
 55 Pt    0.00000   -0.01199    0.51386
 56 Pt   -0.00000    0.16506    0.62046
 57 O    -1.61251    0.01387    0.09787
 58 O     1.61251    0.01387    0.09787
 59 O     0.00000   -0.02129   -0.51254
 60 O     0.00000   -0.05122   -0.05043
 61 Pt   -0.00000    0.01142   -0.00561
 62 Pt   -0.00000    0.01811   -0.00493
 63 O    -0.00224   -0.00809    0.00151
 64 O     0.00224   -0.00809    0.00151
 65 O     0.00000   -0.00563   -0.00538
 66 O     0.00000    0.00511    0.00304
 67 Pt   -0.00000    0.00636    0.00328
 68 Pt   -0.00000    0.07677   -0.03122
 69 O    -0.00350   -0.00518    0.00087
 70 O     0.00350   -0.00518    0.00087
 71 O    -0.00000    0.01086   -0.00884
 72 N     0.00000   -0.13516   -0.11456
 73 N     0.00000   -0.02117    0.11896

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    2.153358   24.383135    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.799120   23.337158    ( 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  23:58:10  -3.66   +inf  -414.336064    3      1      
iter:   2  00:00:14  -3.26  -2.78  -415.585251    3      1      
iter:   3  00:02:19  -3.58  -2.07  -414.290424    3      1      
iter:   4  00:04:23  -4.31  -3.47  -414.292590    3      1      
iter:   5  00:06:26  -4.91  -3.85  -414.290552    3      1      
iter:   6  00:08:28  -5.20  -3.99  -414.289959    2      1      
iter:   7  00:10:31  -5.46  -4.27  -414.289932    2      1      
iter:   8  00:12:36  -5.74  -4.50  -414.290014    2      1      
iter:   9  00:14:40  -6.08  -4.44  -414.290013    2      1      
iter:  10  00:16:45  -6.55  -4.49  -414.290193    2      1      
iter:  11  00:18:50  -6.68  -4.73  -414.289932    2      1      
iter:  12  00:20:53  -7.10  -4.72  -414.290103    2      1      
iter:  13  00:22:57  -7.28  -4.93  -414.290035    2      1      
iter:  14  00:25:02  -7.50  -5.14  -414.290020    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961053, -32.989054, 0.298387) |e|*Ang

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

Kinetic:        +19.462160
Potential:     -137.303180
External:        +0.000000
XC:            -306.204719
Entropy (-ST):   -1.546776
Local:          +10.529108
--------------------------
Free energy:   -415.063409
Extrapolated:  -414.290020

Fermi level: -6.28516

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36819    0.15476
  0   340     -6.34128    0.14149
  0   341     -6.33939    0.14052
  0   342     -6.30452    0.12183

  1   339     -6.26323    0.19795
  1   340     -6.21268    0.14503
  1   341     -6.17182    0.10824
  1   342     -6.17160    0.10806



Forces in eV/Ang:
  0 O     0.00000   -0.01761    1.17314
  1 Pt   -0.00000    0.00896   -0.38067
  2 Pt    0.00000   -0.01909   -0.43676
  3 O    -1.68196   -0.00018   -0.71938
  4 O     1.68196   -0.00018   -0.71938
  5 O     0.00000   -0.01095   -1.40958
  6 O     0.00000   -0.00274    1.77591
  7 Pt   -0.00000    0.01318    0.45254
  8 Pt    0.00000   -0.04194    0.80084
  9 O    -1.58082    0.00121    0.04935
 10 O     1.58082    0.00121    0.04935
 11 O     0.00000   -0.00878   -0.55783
 12 O    -0.00000    0.00777    0.03837
 13 Pt   -0.00000    0.03598   -0.00496
 14 Pt    0.00000   -0.02176    0.00036
 15 O    -0.00170    0.00964    0.00282
 16 O     0.00170    0.00964    0.00282
 17 O     0.00000   -0.02964   -0.13790
 18 O     0.00000    0.00034    0.01508
 19 Pt    0.00000   -0.04134   -0.01025
 20 Pt   -0.00000    0.02817    0.07665
 21 O    -0.07592    0.11992    0.08529
 22 O     0.07592    0.11992    0.08529
 23 O     0.00000   -0.01708   -0.00317
 24 O     0.00000    0.00037    1.15136
 25 Pt   -0.00000    0.00558   -0.38337
 26 Pt    0.00000   -0.00000   -0.43470
 27 O    -1.69045    0.01380   -0.71876
 28 O     1.69045    0.01380   -0.71876
 29 O    -0.00000    0.05782   -1.38417
 30 O     0.00000   -0.00518    1.83730
 31 Pt   -0.00000    0.01985    0.51260
 32 Pt    0.00000   -0.18369    0.54635
 33 O    -1.61353   -0.01968    0.06859
 34 O     1.61353   -0.01968    0.06859
 35 O     0.00000   -0.03259   -0.51982
 36 O    -0.00000    0.05670   -0.04992
 37 Pt    0.00000   -0.05654   -0.01212
 38 Pt    0.00000   -0.00369   -0.00991
 39 O     0.00873    0.01332    0.01526
 40 O    -0.00873    0.01332    0.01526
 41 O     0.00000    0.00894   -0.00759
 42 O    -0.00000    0.01871   -0.00922
 43 Pt   -0.00000    0.01152   -0.01548
 44 Pt   -0.00000    0.00531   -0.00304
 45 O    -0.05488   -0.09555    0.05978
 46 O     0.05488   -0.09555    0.05978
 47 O     0.00000   -0.02866   -0.01221
 48 O    -0.00000    0.02127    1.17332
 49 Pt    0.00000   -0.02291   -0.38580
 50 Pt   -0.00000    0.02102   -0.43662
 51 O    -1.68881   -0.01394   -0.71975
 52 O     1.68881   -0.01394   -0.71975
 53 O     0.00000   -0.02338   -1.39991
 54 O     0.00000   -0.00129    1.78035
 55 Pt    0.00000   -0.01201    0.51601
 56 Pt   -0.00000    0.16494    0.62245
 57 O    -1.61214    0.01388    0.09848
 58 O     1.61214    0.01388    0.09848
 59 O     0.00000   -0.02128   -0.51145
 60 O     0.00000   -0.05194   -0.05012
 61 Pt   -0.00000    0.01139   -0.00398
 62 Pt   -0.00000    0.01799   -0.00381
 63 O    -0.00255   -0.00808    0.00183
 64 O     0.00255   -0.00808    0.00183
 65 O     0.00000   -0.00595    0.00123
 66 O     0.00000    0.00505    0.00278
 67 Pt   -0.00000    0.00653    0.00438
 68 Pt   -0.00000    0.07738   -0.02967
 69 O    -0.00452   -0.00487    0.00089
 70 O     0.00452   -0.00487    0.00089
 71 O    -0.00000    0.01089   -0.00912
 72 N     0.00000   -0.03973    0.06242
 73 N     0.00000   -0.06273   -0.12536

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    2.157695   24.386988    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.807510   23.339153    ( 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  00:42:43  -3.68   +inf  -414.323652    3      1      
iter:   2  00:44:49  -3.35  -2.83  -415.356260    3      1      
iter:   3  00:46:53  -3.65  -2.10  -414.293576    3      1      
iter:   4  00:48:57  -4.38  -3.46  -414.290309    2      1      
iter:   5  00:50:59  -4.76  -4.08  -414.290022    3      1      
iter:   6  00:53:03  -5.29  -4.12  -414.289198    2      1      
iter:   7  00:55:07  -5.60  -4.34  -414.289457    3      1      
iter:   8  00:57:12  -5.92  -4.38  -414.289411    2      1      
iter:   9  00:59:15  -6.12  -4.53  -414.289294    2      1      
iter:  10  01:01:20  -7.04  -4.28  -414.289391    2      1      
iter:  11  01:03:24  -6.96  -4.65  -414.289378    2      1      
iter:  12  01:05:28  -6.95  -4.75  -414.289387    2      1      
iter:  13  01:07:33  -7.32  -5.10  -414.289416    2      1      
iter:  14  01:09:37  -7.85  -5.18  -414.289336    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961102, -32.985864, 0.298384) |e|*Ang

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

Kinetic:        +19.373233
Potential:     -137.233898
External:        +0.000000
XC:            -306.182503
Entropy (-ST):   -1.546887
Local:          +10.527276
--------------------------
Free energy:   -415.062779
Extrapolated:  -414.289336

Fermi level: -6.28508

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36815    0.15478
  0   340     -6.34116    0.14147
  0   341     -6.33927    0.14050
  0   342     -6.30456    0.12190

  1   339     -6.26323    0.19803
  1   340     -6.21254    0.14498
  1   341     -6.17179    0.10828
  1   342     -6.17156    0.10809



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17320
  1 Pt   -0.00000    0.00891   -0.38018
  2 Pt    0.00000   -0.01909   -0.43599
  3 O    -1.68204   -0.00018   -0.71927
  4 O     1.68204   -0.00018   -0.71927
  5 O     0.00000   -0.01089   -1.40995
  6 O     0.00000   -0.00273    1.77586
  7 Pt   -0.00000    0.01318    0.45249
  8 Pt    0.00000   -0.04209    0.80053
  9 O    -1.58100    0.00119    0.04930
 10 O     1.58100    0.00119    0.04930
 11 O     0.00000   -0.00877   -0.55845
 12 O    -0.00000    0.00728    0.03804
 13 Pt   -0.00000    0.03742   -0.00577
 14 Pt    0.00000   -0.02169   -0.00067
 15 O    -0.00182    0.00962    0.00290
 16 O     0.00182    0.00962    0.00290
 17 O     0.00000   -0.03702   -0.13833
 18 O     0.00000    0.00049    0.01438
 19 Pt    0.00000   -0.04155   -0.01030
 20 Pt   -0.00000    0.04557    0.07482
 21 O    -0.07788    0.12263    0.08704
 22 O     0.07788    0.12263    0.08704
 23 O     0.00000   -0.01684   -0.00245
 24 O     0.00000    0.00037    1.15139
 25 Pt   -0.00000    0.00563   -0.38288
 26 Pt    0.00000   -0.00001   -0.43392
 27 O    -1.69052    0.01379   -0.71865
 28 O     1.69052    0.01379   -0.71865
 29 O    -0.00000    0.05785   -1.38459
 30 O     0.00000   -0.00520    1.83728
 31 Pt   -0.00000    0.01984    0.51251
 32 Pt    0.00000   -0.18360    0.54647
 33 O    -1.61374   -0.01960    0.06855
 34 O     1.61374   -0.01960    0.06855
 35 O     0.00000   -0.03259   -0.52047
 36 O    -0.00000    0.05730   -0.05119
 37 Pt    0.00000   -0.05615   -0.01268
 38 Pt    0.00000   -0.00377   -0.01087
 39 O     0.00869    0.01329    0.01537
 40 O    -0.00869    0.01329    0.01537
 41 O     0.00000    0.00892   -0.00998
 42 O    -0.00000    0.01866   -0.00984
 43 Pt   -0.00000    0.01159   -0.01671
 44 Pt   -0.00000    0.00482   -0.00455
 45 O    -0.05483   -0.09590    0.05715
 46 O     0.05483   -0.09590    0.05715
 47 O     0.00000   -0.02858   -0.01221
 48 O    -0.00000    0.02131    1.17334
 49 Pt    0.00000   -0.02294   -0.38527
 50 Pt   -0.00000    0.02103   -0.43586
 51 O    -1.68889   -0.01392   -0.71962
 52 O     1.68889   -0.01392   -0.71962
 53 O     0.00000   -0.02335   -1.40023
 54 O     0.00000   -0.00129    1.78031
 55 Pt    0.00000   -0.01201    0.51595
 56 Pt   -0.00000    0.16478    0.62247
 57 O    -1.61236    0.01387    0.09840
 58 O     1.61236    0.01387    0.09840
 59 O     0.00000   -0.02129   -0.51208
 60 O     0.00000   -0.05221   -0.05118
 61 Pt   -0.00000    0.01129   -0.00531
 62 Pt   -0.00000    0.01801   -0.00487
 63 O    -0.00272   -0.00804    0.00188
 64 O     0.00272   -0.00804    0.00188
 65 O     0.00000   -0.00568   -0.00082
 66 O     0.00000    0.00496    0.00208
 67 Pt   -0.00000    0.00658    0.00303
 68 Pt   -0.00000    0.07785   -0.03201
 69 O    -0.00456   -0.00478   -0.00026
 70 O     0.00456   -0.00478   -0.00026
 71 O    -0.00000    0.01068   -0.00949
 72 N     0.00000   -0.06344   -0.00339
 73 N     0.00000   -0.08951   -0.09084

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    2.161908   24.390180    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.815727   23.341143    ( 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  01:29:44  -3.74   +inf  -414.305484    3      1      
iter:   2  01:31:48  -3.68  -3.00  -414.770829    3      1      
iter:   3  01:33:54  -3.97  -2.27  -414.287854    3      1      
iter:   4  01:35:58  -4.71  -3.71  -414.289073    3      1      
iter:   5  01:38:01  -5.21  -4.18  -414.288247    2      1      
iter:   6  01:40:05  -5.39  -4.33  -414.288215    3      1      
iter:   7  01:42:10  -5.83  -4.38  -414.288284    2      1      
iter:   8  01:44:14  -6.19  -4.57  -414.288242    2      1      
iter:   9  01:46:18  -6.37  -4.63  -414.288220    2      1      
iter:  10  01:48:22  -7.11  -4.57  -414.288311    2      1      
iter:  11  01:50:25  -7.10  -4.47  -414.288140    2      1      
iter:  12  01:52:28  -7.30  -4.92  -414.288302    2      1      
iter:  13  01:54:31  -7.58  -4.94  -414.288241    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961116, -32.982753, 0.298428) |e|*Ang

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

Kinetic:        +19.383837
Potential:     -137.245578
External:        +0.000000
XC:            -306.180363
Entropy (-ST):   -1.546782
Local:          +10.527255
--------------------------
Free energy:   -415.061632
Extrapolated:  -414.288241

Fermi level: -6.28527

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36835    0.15479
  0   340     -6.34127    0.14144
  0   341     -6.33938    0.14046
  0   342     -6.30485    0.12196

  1   339     -6.26331    0.19792
  1   340     -6.21269    0.14494
  1   341     -6.17200    0.10830
  1   342     -6.17171    0.10806



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17328
  1 Pt   -0.00000    0.00885   -0.38069
  2 Pt    0.00000   -0.01908   -0.43645
  3 O    -1.68273   -0.00018   -0.71937
  4 O     1.68273   -0.00018   -0.71937
  5 O     0.00000   -0.01085   -1.40997
  6 O     0.00000   -0.00274    1.77335
  7 Pt   -0.00000    0.01319    0.45132
  8 Pt    0.00000   -0.04227    0.79944
  9 O    -1.58095    0.00117    0.04865
 10 O     1.58095    0.00117    0.04865
 11 O     0.00000   -0.00879   -0.55907
 12 O    -0.00000    0.00690    0.03794
 13 Pt   -0.00000    0.03833   -0.00677
 14 Pt    0.00000   -0.02156   -0.00095
 15 O    -0.00157    0.00959    0.00237
 16 O     0.00157    0.00959    0.00237
 17 O     0.00000   -0.04415   -0.13931
 18 O    -0.00000    0.00057    0.01443
 19 Pt    0.00000   -0.04159   -0.00846
 20 Pt   -0.00000    0.06094    0.07433
 21 O    -0.07946    0.12527    0.09119
 22 O     0.07946    0.12527    0.09119
 23 O     0.00000   -0.01706   -0.00189
 24 O     0.00000    0.00037    1.15146
 25 Pt   -0.00000    0.00568   -0.38343
 26 Pt    0.00000   -0.00003   -0.43439
 27 O    -1.69120    0.01379   -0.71876
 28 O     1.69120    0.01379   -0.71876
 29 O    -0.00000    0.05786   -1.38487
 30 O     0.00000   -0.00522    1.83478
 31 Pt   -0.00000    0.01981    0.51132
 32 Pt    0.00000   -0.18353    0.54581
 33 O    -1.61370   -0.01956    0.06794
 34 O     1.61370   -0.01956    0.06794
 35 O     0.00000   -0.03261   -0.52111
 36 O    -0.00000    0.05777   -0.05201
 37 Pt    0.00000   -0.05533   -0.01346
 38 Pt    0.00000   -0.00375   -0.01088
 39 O     0.00898    0.01331    0.01482
 40 O    -0.00898    0.01331    0.01482
 41 O     0.00000    0.00893   -0.01199
 42 O    -0.00000    0.01881   -0.00988
 43 Pt   -0.00000    0.01170   -0.01725
 44 Pt   -0.00000    0.00521   -0.00466
 45 O    -0.05386   -0.09581    0.05533
 46 O     0.05386   -0.09581    0.05533
 47 O     0.00000   -0.02837   -0.01167
 48 O    -0.00000    0.02132    1.17341
 49 Pt    0.00000   -0.02296   -0.38580
 50 Pt   -0.00000    0.02104   -0.43633
 51 O    -1.68958   -0.01392   -0.71974
 52 O     1.68958   -0.01392   -0.71974
 53 O     0.00000   -0.02330   -1.40034
 54 O     0.00000   -0.00126    1.77783
 55 Pt    0.00000   -0.01201    0.51479
 56 Pt   -0.00000    0.16469    0.62161
 57 O    -1.61232    0.01389    0.09773
 58 O     1.61232    0.01389    0.09773
 59 O     0.00000   -0.02125   -0.51276
 60 O     0.00000   -0.05243   -0.05184
 61 Pt   -0.00000    0.01119   -0.00633
 62 Pt   -0.00000    0.01785   -0.00494
 63 O    -0.00259   -0.00804    0.00137
 64 O     0.00259   -0.00804    0.00137
 65 O     0.00000   -0.00551   -0.00204
 66 O     0.00000    0.00478    0.00207
 67 Pt   -0.00000    0.00659    0.00342
 68 Pt   -0.00000    0.07835   -0.03052
 69 O    -0.00411   -0.00463    0.00013
 70 O     0.00411   -0.00463    0.00013
 71 O    -0.00000    0.01069   -0.00899
 72 N     0.00000   -0.06930    0.02994
 73 N     0.00000   -0.14980   -0.09118

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    2.166853   24.394494    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.820034   23.344702    ( 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  02:16:27  -3.87   +inf  -414.294624    3      1      
iter:   2  02:18:32  -3.89  -3.11  -414.581451    3      1      
iter:   3  02:20:36  -4.14  -2.38  -414.291650    3      1      
iter:   4  02:22:40  -4.89  -3.62  -414.287894    3      1      
iter:   5  02:24:44  -5.32  -3.98  -414.287623    3      1      
iter:   6  02:26:48  -5.64  -4.37  -414.287603    3      1      
iter:   7  02:28:52  -5.70  -4.11  -414.287321    3      1      
iter:   8  02:30:55  -6.15  -4.54  -414.287363    2      1      
iter:   9  02:33:00  -6.52  -4.58  -414.287230    2      1      
iter:  10  02:35:04  -6.86  -4.74  -414.287509    2      1      
iter:  11  02:37:08  -7.27  -4.61  -414.287271    2      1      
iter:  12  02:39:12  -7.50  -4.79  -414.287293    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961155, -32.980446, 0.299018) |e|*Ang

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

Kinetic:        +19.179609
Potential:     -137.084326
External:        +0.000000
XC:            -306.136200
Entropy (-ST):   -1.546959
Local:          +10.527103
--------------------------
Free energy:   -415.060773
Extrapolated:  -414.287293

Fermi level: -6.28509

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36824    0.15481
  0   340     -6.34090    0.14134
  0   341     -6.33900    0.14035
  0   342     -6.30492    0.12209

  1   339     -6.26307    0.19785
  1   340     -6.21233    0.14477
  1   341     -6.17189    0.10835
  1   342     -6.17156    0.10808



Forces in eV/Ang:
  0 O     0.00000   -0.01771    1.17347
  1 Pt   -0.00000    0.00873   -0.38032
  2 Pt    0.00000   -0.01910   -0.43594
  3 O    -1.68329   -0.00017   -0.71902
  4 O     1.68329   -0.00017   -0.71902
  5 O     0.00000   -0.01083   -1.40898
  6 O     0.00000   -0.00273    1.77083
  7 Pt   -0.00000    0.01313    0.45031
  8 Pt    0.00000   -0.04229    0.79816
  9 O    -1.58125    0.00113    0.04844
 10 O     1.58125    0.00113    0.04844
 11 O     0.00000   -0.00878   -0.55956
 12 O    -0.00000    0.00664    0.03908
 13 Pt   -0.00000    0.04003   -0.00792
 14 Pt    0.00000   -0.02155   -0.00128
 15 O    -0.00121    0.00951    0.00240
 16 O     0.00121    0.00951    0.00240
 17 O     0.00000   -0.04681   -0.14355
 18 O    -0.00000    0.00076    0.01486
 19 Pt    0.00000   -0.04176   -0.00846
 20 Pt   -0.00000    0.06896    0.07646
 21 O    -0.08041    0.12792    0.09456
 22 O     0.08041    0.12792    0.09456
 23 O     0.00000   -0.01689   -0.00004
 24 O     0.00000    0.00036    1.15161
 25 Pt   -0.00000    0.00581   -0.38303
 26 Pt    0.00000   -0.00005   -0.43384
 27 O    -1.69175    0.01378   -0.71840
 28 O     1.69175    0.01378   -0.71840
 29 O    -0.00000    0.05780   -1.38420
 30 O     0.00000   -0.00527    1.83247
 31 Pt   -0.00000    0.01986    0.51028
 32 Pt    0.00000   -0.18323    0.54530
 33 O    -1.61402   -0.01950    0.06776
 34 O     1.61402   -0.01950    0.06776
 35 O     0.00000   -0.03263   -0.52153
 36 O    -0.00000    0.05909   -0.05297
 37 Pt    0.00000   -0.05646   -0.01439
 38 Pt    0.00000   -0.00363   -0.01121
 39 O     0.00940    0.01336    0.01489
 40 O    -0.00940    0.01336    0.01489
 41 O     0.00000    0.00879   -0.01671
 42 O    -0.00000    0.01878   -0.00949
 43 Pt   -0.00000    0.01174   -0.01735
 44 Pt   -0.00000    0.00353   -0.00321
 45 O    -0.05455   -0.09809    0.05782
 46 O     0.05455   -0.09809    0.05782
 47 O     0.00000   -0.02865   -0.01084
 48 O    -0.00000    0.02135    1.17355
 49 Pt    0.00000   -0.02297   -0.38537
 50 Pt   -0.00000    0.02108   -0.43580
 51 O    -1.69012   -0.01392   -0.71938
 52 O     1.69012   -0.01392   -0.71938
 53 O     0.00000   -0.02322   -1.39964
 54 O     0.00000   -0.00122    1.77548
 55 Pt    0.00000   -0.01201    0.51389
 56 Pt   -0.00000    0.16435    0.62113
 57 O    -1.61263    0.01388    0.09748
 58 O     1.61263    0.01388    0.09748
 59 O     0.00000   -0.02124   -0.51309
 60 O     0.00000   -0.05352   -0.05265
 61 Pt   -0.00000    0.01112   -0.00814
 62 Pt   -0.00000    0.01774   -0.00542
 63 O    -0.00260   -0.00802    0.00144
 64 O     0.00260   -0.00802    0.00144
 65 O     0.00000   -0.00523   -0.00649
 66 O     0.00000    0.00462    0.00246
 67 Pt   -0.00000    0.00664    0.00210
 68 Pt   -0.00000    0.07944   -0.03047
 69 O    -0.00310   -0.00461   -0.00009
 70 O     0.00310   -0.00461   -0.00009
 71 O    -0.00000    0.01089   -0.00838
 72 N     0.00000   -0.10777   -0.08747
 73 N     0.00000   -0.08497    0.04125

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    2.172183   24.399465    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.822309   23.348565    ( 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  02:58:46  -3.85   +inf  -414.288691    3      1      
iter:   2  03:00:53  -4.14  -3.23  -414.416116    3      1      
iter:   3  03:02:58  -4.35  -2.57  -414.292059    2      1      
iter:   4  03:05:02  -4.96  -3.50  -414.287026    3      1      
iter:   5  03:07:06  -5.41  -3.99  -414.287259    3      1      
iter:   6  03:09:11  -5.47  -3.81  -414.286762    3      1      
iter:   7  03:11:14  -5.45  -4.21  -414.286357    3      1      
iter:   8  03:13:18  -5.93  -4.23  -414.286260    2      1      
iter:   9  03:15:21  -6.42  -4.56  -414.286091    2      1      
iter:  10  03:17:24  -6.91  -4.63  -414.286352    2      1      
iter:  11  03:19:28  -6.85  -4.53  -414.286075    2      1      
iter:  12  03:21:30  -7.17  -4.51  -414.286135    2      1      
iter:  13  03:23:33  -7.29  -4.64  -414.286212    2      1      
iter:  14  03:25:36  -7.34  -5.00  -414.286199    2      1      
iter:  15  03:27:40  -7.47  -5.02  -414.286196    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961087, -32.975912, 0.296663) |e|*Ang

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

Kinetic:        +18.935430
Potential:     -136.908667
External:        +0.000000
XC:            -306.065668
Entropy (-ST):   -1.546952
Local:          +10.526184
--------------------------
Free energy:   -415.059672
Extrapolated:  -414.286196

Fermi level: -6.28679

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36990    0.15480
  0   340     -6.34275    0.14141
  0   341     -6.34086    0.14044
  0   342     -6.30658    0.12207

  1   339     -6.26479    0.19788
  1   340     -6.21416    0.14489
  1   341     -6.17363    0.10839
  1   342     -6.17313    0.10797



Forces in eV/Ang:
  0 O     0.00000   -0.01771    1.17369
  1 Pt   -0.00000    0.00860   -0.38014
  2 Pt    0.00000   -0.01910   -0.43640
  3 O    -1.68290   -0.00018   -0.71919
  4 O     1.68290   -0.00018   -0.71919
  5 O     0.00000   -0.01084   -1.40922
  6 O     0.00000   -0.00274    1.77252
  7 Pt   -0.00000    0.01325    0.45149
  8 Pt    0.00000   -0.04231    0.79849
  9 O    -1.58114    0.00117    0.04878
 10 O     1.58114    0.00117    0.04878
 11 O     0.00000   -0.00880   -0.55842
 12 O    -0.00000    0.00669    0.04038
 13 Pt   -0.00000    0.04125   -0.00724
 14 Pt    0.00000   -0.02147   -0.00079
 15 O    -0.00177    0.00965    0.00284
 16 O     0.00177    0.00965    0.00284
 17 O     0.00000   -0.04717   -0.14635
 18 O    -0.00000    0.00083    0.01483
 19 Pt    0.00000   -0.04210   -0.01010
 20 Pt   -0.00000    0.07068    0.07498
 21 O    -0.08252    0.13045    0.09177
 22 O     0.08252    0.13045    0.09177
 23 O     0.00000   -0.01673   -0.00394
 24 O     0.00000    0.00035    1.15182
 25 Pt   -0.00000    0.00594   -0.38287
 26 Pt    0.00000   -0.00002   -0.43433
 27 O    -1.69137    0.01379   -0.71857
 28 O     1.69137    0.01379   -0.71857
 29 O    -0.00000    0.05775   -1.38475
 30 O     0.00000   -0.00511    1.83389
 31 Pt   -0.00000    0.01974    0.51147
 32 Pt    0.00000   -0.18289    0.54640
 33 O    -1.61391   -0.01954    0.06810
 34 O     1.61391   -0.01954    0.06810
 35 O     0.00000   -0.03258   -0.52053
 36 O    -0.00000    0.06011   -0.05289
 37 Pt    0.00000   -0.05746   -0.01378
 38 Pt    0.00000   -0.00395   -0.01055
 39 O     0.00882    0.01321    0.01535
 40 O    -0.00882    0.01321    0.01535
 41 O     0.00000    0.00872   -0.01239
 42 O    -0.00000    0.01869   -0.00946
 43 Pt   -0.00000    0.01182   -0.01874
 44 Pt   -0.00000    0.00269   -0.00589
 45 O    -0.05696   -0.10098    0.05597
 46 O     0.05696   -0.10098    0.05597
 47 O     0.00000   -0.02768   -0.01287
 48 O    -0.00000    0.02136    1.17377
 49 Pt    0.00000   -0.02297   -0.38511
 50 Pt   -0.00000    0.02105   -0.43628
 51 O    -1.68977   -0.01392   -0.71951
 52 O     1.68977   -0.01392   -0.71951
 53 O     0.00000   -0.02317   -1.40018
 54 O     0.00000   -0.00137    1.77691
 55 Pt    0.00000   -0.01201    0.51487
 56 Pt   -0.00000    0.16403    0.62217
 57 O    -1.61250    0.01388    0.09766
 58 O     1.61250    0.01388    0.09766
 59 O     0.00000   -0.02127   -0.51215
 60 O     0.00000   -0.05458   -0.05256
 61 Pt   -0.00000    0.01111   -0.00758
 62 Pt   -0.00000    0.01798   -0.00471
 63 O    -0.00305   -0.00804    0.00184
 64 O     0.00305   -0.00804    0.00184
 65 O     0.00000   -0.00520   -0.00234
 66 O     0.00000    0.00462    0.00256
 67 Pt   -0.00000    0.00679    0.00217
 68 Pt   -0.00000    0.07967   -0.03421
 69 O    -0.00453   -0.00454   -0.00181
 70 O     0.00453   -0.00454   -0.00181
 71 O    -0.00000    0.00986   -0.01068
 72 N     0.00000   -0.21625   -0.34912
 73 N    -0.00000    0.02894    0.33561

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    2.164858   24.387576    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.828604   23.349684    ( 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  03:45:43  -2.90   +inf  -414.930153    4      1      
iter:   2  03:47:49  -2.17  -2.24  -425.599306    36     1      
iter:   3  03:49:53  -2.55  -1.64  -414.440868    4      1      
iter:   4  03:51:58  -3.23  -2.48  -414.360442    4      1      
iter:   5  03:54:01  -3.89  -2.77  -414.307244    3      1      
iter:   6  03:56:04  -4.00  -3.03  -414.287411    3      1      
iter:   7  03:58:07  -4.15  -3.33  -414.283821    3      1      
iter:   8  04:00:11  -4.24  -3.24  -414.287388    3      1      
iter:   9  04:02:05  -4.45  -3.13  -414.274551    3      1      
iter:  10  04:03:56  -4.52  -3.66  -414.274472    3      1      
iter:  11  04:05:45  -4.88  -3.83  -414.273058    3      1      
iter:  12  04:07:34  -5.18  -3.83  -414.273848    2      1      
iter:  13  04:09:23  -5.24  -3.93  -414.273238    3      1      
iter:  14  04:11:13  -5.32  -3.99  -414.273004    3      1      
iter:  15  04:13:02  -5.89  -4.05  -414.273663    2      1      
iter:  16  04:14:51  -5.72  -3.74  -414.272852    3      1      
iter:  17  04:16:41  -5.90  -4.33  -414.272967    2      1      
iter:  18  04:18:30  -6.57  -4.47  -414.272557    2      1      
iter:  19  04:20:19  -6.92  -4.52  -414.272781    2      1      
iter:  20  04:22:08  -7.01  -4.69  -414.272784    2      1      
iter:  21  04:23:58  -6.95  -4.83  -414.272757    2      1      
iter:  22  04:25:49  -7.30  -4.52  -414.272815    2      1      
iter:  23  04:27:40  -7.49  -4.65  -414.272794    2      1      

Converged after 23 iterations.

Dipole moment: (-55.961125, -32.980323, 0.298127) |e|*Ang

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

Kinetic:        +21.660510
Potential:     -139.066275
External:        +0.000000
XC:            -306.623194
Entropy (-ST):   -1.546734
Local:          +10.529533
--------------------------
Free energy:   -415.046161
Extrapolated:  -414.272794

Fermi level: -6.28538

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36850    0.15480
  0   340     -6.34144    0.14146
  0   341     -6.33956    0.14049
  0   342     -6.30515    0.12205

  1   339     -6.26343    0.19793
  1   340     -6.21281    0.14495
  1   341     -6.17225    0.10841
  1   342     -6.17176    0.10800



Forces in eV/Ang:
  0 O     0.00000   -0.01776    1.17312
  1 Pt   -0.00000    0.00865   -0.38023
  2 Pt    0.00000   -0.01910   -0.43635
  3 O    -1.68232   -0.00014   -0.71918
  4 O     1.68232   -0.00014   -0.71918
  5 O     0.00000   -0.01077   -1.40925
  6 O     0.00000   -0.00273    1.77404
  7 Pt   -0.00000    0.01316    0.45198
  8 Pt    0.00000   -0.04251    0.79921
  9 O    -1.58087    0.00117    0.04901
 10 O     1.58087    0.00117    0.04901
 11 O     0.00000   -0.00880   -0.55845
 12 O    -0.00000    0.00619    0.04085
 13 Pt   -0.00000    0.04076   -0.00555
 14 Pt    0.00000   -0.02133    0.00078
 15 O    -0.00148    0.00961    0.00337
 16 O     0.00148    0.00961    0.00337
 17 O     0.00000   -0.05426   -0.14550
 18 O    -0.00000    0.00093    0.01473
 19 Pt    0.00000   -0.04177   -0.00807
 20 Pt   -0.00000    0.08282    0.05154
 21 O    -0.08317    0.13260    0.09763
 22 O     0.08317    0.13260    0.09763
 23 O     0.00000   -0.01610    0.00264
 24 O     0.00000    0.00037    1.15127
 25 Pt   -0.00000    0.00590   -0.38296
 26 Pt    0.00000   -0.00005   -0.43417
 27 O    -1.69077    0.01376   -0.71855
 28 O     1.69077    0.01376   -0.71855
 29 O    -0.00000    0.05778   -1.38473
 30 O     0.00000   -0.00507    1.83579
 31 Pt   -0.00000    0.01979    0.51193
 32 Pt    0.00000   -0.18291    0.54686
 33 O    -1.61367   -0.01950    0.06838
 34 O     1.61367   -0.01950    0.06838
 35 O     0.00000   -0.03253   -0.52049
 36 O    -0.00000    0.06049   -0.05280
 37 Pt    0.00000   -0.05546   -0.01174
 38 Pt    0.00000   -0.00411   -0.00944
 39 O     0.00931    0.01319    0.01594
 40 O    -0.00931    0.01319    0.01594
 41 O     0.00000    0.00905   -0.01082
 42 O    -0.00000    0.01826   -0.00959
 43 Pt   -0.00000    0.01188   -0.01796
 44 Pt   -0.00000    0.00417   -0.00408
 45 O    -0.05759   -0.10257    0.05947
 46 O     0.05759   -0.10257    0.05947
 47 O     0.00000   -0.02992   -0.00904
 48 O    -0.00000    0.02137    1.17321
 49 Pt    0.00000   -0.02300   -0.38522
 50 Pt   -0.00000    0.02109   -0.43614
 51 O    -1.68913   -0.01392   -0.71951
 52 O     1.68913   -0.01392   -0.71951
 53 O     0.00000   -0.02315   -1.39999
 54 O     0.00000   -0.00142    1.77882
 55 Pt    0.00000   -0.01200    0.51542
 56 Pt   -0.00000    0.16407    0.62235
 57 O    -1.61221    0.01389    0.09803
 58 O     1.61221    0.01389    0.09803
 59 O     0.00000   -0.02132   -0.51208
 60 O     0.00000   -0.05417   -0.05204
 61 Pt   -0.00000    0.01083   -0.00565
 62 Pt   -0.00000    0.01805   -0.00371
 63 O    -0.00243   -0.00801    0.00215
 64 O     0.00243   -0.00801    0.00215
 65 O     0.00000   -0.00523   -0.00022
 66 O     0.00000    0.00497    0.00239
 67 Pt   -0.00000    0.00657    0.00241
 68 Pt   -0.00000    0.07852   -0.03301
 69 O    -0.00481   -0.00451   -0.00115
 70 O     0.00481   -0.00451   -0.00115
 71 O    -0.00000    0.01168   -0.00748
 72 N    -0.00000    0.54065    1.94392
 73 N     0.00000   -0.73687   -1.93352

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    2.170856   24.398167    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.822925   23.349394    ( 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  04:38:09  -2.99   +inf  -414.777217    4      1      
iter:   2  04:39:59  -2.31  -2.29  -423.737592    2      1      
iter:   3  04:41:49  -2.76  -1.68  -414.435080    4      1      
iter:   4  04:43:39  -3.20  -2.56  -414.313506    3      1      
iter:   5  04:45:29  -3.79  -3.24  -414.305128    2      1      
iter:   6  04:47:19  -4.05  -3.12  -414.298016    3      1      
iter:   7  04:49:09  -4.52  -3.47  -414.296780    3      1      
iter:   8  04:51:00  -4.47  -3.31  -414.289581    3      1      
iter:   9  04:52:51  -4.32  -3.68  -414.288235    3      1      
iter:  10  04:54:43  -4.70  -3.71  -414.286705    3      1      
iter:  11  04:56:34  -5.56  -3.95  -414.287466    2      1      
iter:  12  04:58:26  -5.60  -3.99  -414.286611    2      1      
iter:  13  05:00:17  -5.56  -4.01  -414.287187    2      1      
iter:  14  05:02:08  -5.92  -3.86  -414.287194    2      1      
iter:  15  05:03:59  -5.98  -4.11  -414.287133    3      1      
iter:  16  05:05:49  -5.76  -4.17  -414.287008    3      1      
iter:  17  05:07:39  -5.80  -4.29  -414.286495    2      1      
iter:  18  05:09:29  -6.53  -4.54  -414.286780    2      1      
iter:  19  05:11:19  -7.10  -4.75  -414.286734    2      1      
iter:  20  05:13:09  -7.19  -4.73  -414.286699    2      1      
iter:  21  05:14:59  -7.40  -4.57  -414.286736    2      1      

Converged after 21 iterations.

Dipole moment: (-55.961022, -32.977147, 0.297507) |e|*Ang

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

Kinetic:        +19.399116
Potential:     -137.286423
External:        +0.000000
XC:            -306.150309
Entropy (-ST):   -1.546957
Local:          +10.524358
--------------------------
Free energy:   -415.060214
Extrapolated:  -414.286736

Fermi level: -6.28629

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36942    0.15480
  0   340     -6.34215    0.14136
  0   341     -6.34026    0.14039
  0   342     -6.30612    0.12209

  1   339     -6.26426    0.19785
  1   340     -6.21362    0.14485
  1   341     -6.17312    0.10837
  1   342     -6.17269    0.10802



Forces in eV/Ang:
  0 O     0.00000   -0.01772    1.17408
  1 Pt   -0.00000    0.00859   -0.38055
  2 Pt    0.00000   -0.01910   -0.43689
  3 O    -1.68337   -0.00019   -0.71893
  4 O     1.68337   -0.00019   -0.71893
  5 O     0.00000   -0.01081   -1.40871
  6 O     0.00000   -0.00268    1.77033
  7 Pt   -0.00000    0.01324    0.45129
  8 Pt    0.00000   -0.04230    0.79887
  9 O    -1.58151    0.00119    0.04923
 10 O     1.58151    0.00119    0.04923
 11 O     0.00000   -0.00878   -0.55809
 12 O    -0.00000    0.00655    0.04095
 13 Pt   -0.00000    0.04181   -0.00750
 14 Pt    0.00000   -0.02154   -0.00087
 15 O    -0.00137    0.00958    0.00280
 16 O     0.00137    0.00958    0.00280
 17 O     0.00000   -0.04776   -0.14730
 18 O    -0.00000    0.00086    0.01603
 19 Pt    0.00000   -0.04224   -0.01191
 20 Pt   -0.00000    0.07191    0.06825
 21 O    -0.08267    0.13095    0.09098
 22 O     0.08267    0.13095    0.09098
 23 O     0.00000   -0.01731   -0.00649
 24 O     0.00000    0.00038    1.15218
 25 Pt   -0.00000    0.00596   -0.38324
 26 Pt    0.00000    0.00003   -0.43488
 27 O    -1.69181    0.01381   -0.71830
 28 O     1.69181    0.01381   -0.71830
 29 O    -0.00000    0.05770   -1.38437
 30 O     0.00000   -0.00525    1.83161
 31 Pt   -0.00000    0.01974    0.51122
 32 Pt    0.00000   -0.18297    0.54695
 33 O    -1.61431   -0.01953    0.06854
 34 O     1.61431   -0.01953    0.06854
 35 O     0.00000   -0.03261   -0.52004
 36 O    -0.00000    0.06069   -0.05260
 37 Pt    0.00000   -0.05791   -0.01390
 38 Pt    0.00000   -0.00361   -0.01091
 39 O     0.00932    0.01327    0.01532
 40 O    -0.00932    0.01327    0.01532
 41 O     0.00000    0.00877   -0.01366
 42 O    -0.00000    0.01897   -0.00847
 43 Pt   -0.00000    0.01207   -0.02141
 44 Pt   -0.00000    0.00358   -0.00659
 45 O    -0.05646   -0.10160    0.05408
 46 O     0.05646   -0.10160    0.05408
 47 O     0.00000   -0.02656   -0.01498
 48 O    -0.00000    0.02134    1.17412
 49 Pt    0.00000   -0.02299   -0.38558
 50 Pt   -0.00000    0.02101   -0.43686
 51 O    -1.69027   -0.01392   -0.71928
 52 O     1.69027   -0.01392   -0.71928
 53 O     0.00000   -0.02313   -1.39982
 54 O     0.00000   -0.00129    1.77458
 55 Pt    0.00000   -0.01200    0.51474
 56 Pt   -0.00000    0.16409    0.62276
 57 O    -1.61286    0.01386    0.09813
 58 O     1.61286    0.01386    0.09813
 59 O     0.00000   -0.02125   -0.51155
 60 O     0.00000   -0.05496   -0.05229
 61 Pt   -0.00000    0.01104   -0.00819
 62 Pt   -0.00000    0.01771   -0.00525
 63 O    -0.00281   -0.00801    0.00182
 64 O     0.00281   -0.00801    0.00182
 65 O     0.00000   -0.00523   -0.00362
 66 O     0.00000    0.00429    0.00343
 67 Pt   -0.00000    0.00674    0.00118
 68 Pt   -0.00000    0.07908   -0.03461
 69 O    -0.00457   -0.00447   -0.00283
 70 O     0.00457   -0.00447   -0.00283
 71 O    -0.00000    0.00931   -0.01237
 72 N     0.00000   -0.09912   -0.02929
 73 N     0.00000   -0.07558   -0.00370

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    2.171611   24.399082    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.820775   23.351650    ( 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  05:27:19  -4.59   +inf  -414.292943    2      1      
iter:   2  05:29:10  -4.09  -3.20  -414.487093    3      1      
iter:   3  05:31:00  -4.21  -2.46  -414.286664    3      1      
iter:   4  05:32:51  -5.10  -4.19  -414.286986    2      1      
iter:   5  05:34:42  -5.63  -4.43  -414.286564    2      1      
iter:   6  05:36:32  -6.06  -4.56  -414.286671    2      1      
iter:   7  05:38:22  -6.46  -4.78  -414.286719    2      1      
iter:   8  05:40:12  -6.78  -5.06  -414.286728    2      1      
iter:   9  05:42:01  -6.95  -4.66  -414.286703    2      1      
iter:  10  05:43:50  -7.32  -5.07  -414.286772    2      1      
iter:  11  05:45:41  -7.67  -5.11  -414.286693    2      1      

Converged after 11 iterations.

Dipole moment: (-55.961078, -32.976251, 0.296579) |e|*Ang

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

Kinetic:        +19.386457
Potential:     -137.271165
External:        +0.000000
XC:            -306.156030
Entropy (-ST):   -1.547078
Local:          +10.527585
--------------------------
Free energy:   -415.060231
Extrapolated:  -414.286693

Fermi level: -6.28682

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.36993    0.15479
  0   340     -6.34277    0.14141
  0   341     -6.34088    0.14043
  0   342     -6.30669    0.12211

  1   339     -6.26481    0.19787
  1   340     -6.21416    0.14486
  1   341     -6.17372    0.10843
  1   342     -6.17316    0.10797



Forces in eV/Ang:
  0 O     0.00000   -0.01771    1.17324
  1 Pt   -0.00000    0.00852   -0.37997
  2 Pt    0.00000   -0.01909   -0.43630
  3 O    -1.68254   -0.00017   -0.71906
  4 O     1.68254   -0.00017   -0.71906
  5 O     0.00000   -0.01085   -1.40825
  6 O     0.00000   -0.00274    1.77344
  7 Pt   -0.00000    0.01322    0.45227
  8 Pt    0.00000   -0.04226    0.79895
  9 O    -1.58132    0.00114    0.04993
 10 O     1.58132    0.00114    0.04993
 11 O     0.00000   -0.00879   -0.55732
 12 O    -0.00000    0.00673    0.04237
 13 Pt   -0.00000    0.04162   -0.00717
 14 Pt    0.00000   -0.02151   -0.00050
 15 O    -0.00170    0.00954    0.00338
 16 O     0.00170    0.00954    0.00338
 17 O     0.00000   -0.04509   -0.14978
 18 O    -0.00000    0.00078    0.01602
 19 Pt    0.00000   -0.04194   -0.00957
 20 Pt   -0.00000    0.06672    0.07174
 21 O    -0.08219    0.13193    0.09411
 22 O     0.08219    0.13193    0.09411
 23 O     0.00000   -0.01629   -0.00395
 24 O     0.00000    0.00033    1.15135
 25 Pt   -0.00000    0.00604   -0.38268
 26 Pt    0.00000   -0.00003   -0.43421
 27 O    -1.69100    0.01380   -0.71844
 28 O     1.69100    0.01380   -0.71844
 29 O    -0.00000    0.05765   -1.38399
 30 O     0.00000   -0.00518    1.83500
 31 Pt   -0.00000    0.01977    0.51226
 32 Pt    0.00000   -0.18262    0.54724
 33 O    -1.61411   -0.01951    0.06922
 34 O     1.61411   -0.01951    0.06922
 35 O     0.00000   -0.03259   -0.51928
 36 O    -0.00000    0.06125   -0.05225
 37 Pt    0.00000   -0.05840   -0.01375
 38 Pt    0.00000   -0.00377   -0.01040
 39 O     0.00894    0.01330    0.01592
 40 O    -0.00894    0.01330    0.01592
 41 O     0.00000    0.00905   -0.01260
 42 O    -0.00000    0.01869   -0.00853
 43 Pt   -0.00000    0.01168   -0.01693
 44 Pt    0.00000    0.00201   -0.00307
 45 O    -0.05891   -0.10446    0.06187
 46 O     0.05891   -0.10446    0.06187
 47 O     0.00000   -0.02841   -0.01213
 48 O    -0.00000    0.02137    1.17330
 49 Pt    0.00000   -0.02297   -0.38492
 50 Pt   -0.00000    0.02106   -0.43616
 51 O    -1.68941   -0.01394   -0.71939
 52 O     1.68941   -0.01394   -0.71939
 53 O     0.00000   -0.02309   -1.39946
 54 O     0.00000   -0.00130    1.77803
 55 Pt    0.00000   -0.01201    0.51582
 56 Pt   -0.00000    0.16379    0.62301
 57 O    -1.61271    0.01388    0.09882
 58 O     1.61271    0.01388    0.09882
 59 O     0.00000   -0.02126   -0.51082
 60 O     0.00000   -0.05557   -0.05186
 61 Pt   -0.00000    0.01107   -0.00739
 62 Pt   -0.00000    0.01786   -0.00459
 63 O    -0.00306   -0.00802    0.00241
 64 O     0.00306   -0.00802    0.00241
 65 O     0.00000   -0.00549   -0.00256
 66 O     0.00000    0.00466    0.00346
 67 Pt   -0.00000    0.00672    0.00311
 68 Pt   -0.00000    0.07929   -0.03307
 69 O    -0.00430   -0.00458   -0.00077
 70 O     0.00430   -0.00458   -0.00077
 71 O    -0.00000    0.01027   -0.01012
 72 N     0.00000   -0.06514    0.04318
 73 N     0.00000   -0.05519   -0.07785

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    2.172675   24.401022    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.818543   23.354437    ( 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  05:57:15  -4.43   +inf  -414.285805    3      1      
iter:   2  05:59:05  -5.15  -4.12  -414.288228    3      1      
iter:   3  06:00:54  -5.55  -3.72  -414.287231    2      1      
iter:   4  06:02:44  -5.92  -3.97  -414.286494    2      1      
iter:   5  06:04:34  -6.12  -4.24  -414.286702    2      1      
iter:   6  06:06:24  -6.09  -4.37  -414.286632    2      1      
iter:   7  06:08:15  -6.51  -4.85  -414.286587    2      1      
iter:   8  06:10:07  -6.77  -4.83  -414.286513    2      1      
iter:   9  06:11:57  -7.16  -5.04  -414.286503    2      1      
iter:  10  06:13:48  -7.44  -5.04  -414.286557    2      1      

Converged after 10 iterations.

Dipole moment: (-55.961155, -32.975588, 0.296133) |e|*Ang

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

Kinetic:        +19.286980
Potential:     -137.190630
External:        +0.000000
XC:            -306.136718
Entropy (-ST):   -1.547135
Local:          +10.527378
--------------------------
Free energy:   -415.060125
Extrapolated:  -414.286557

Fermi level: -6.28749

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.37065    0.15482
  0   340     -6.34336    0.14136
  0   341     -6.34145    0.14038
  0   342     -6.30747    0.12217

  1   339     -6.26543    0.19781
  1   340     -6.21477    0.14480
  1   341     -6.17442    0.10845
  1   342     -6.17379    0.10794



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17341
  1 Pt   -0.00000    0.00846   -0.38066
  2 Pt    0.00000   -0.01908   -0.43687
  3 O    -1.68326   -0.00013   -0.71923
  4 O     1.68326   -0.00013   -0.71923
  5 O     0.00000   -0.01085   -1.40852
  6 O     0.00000   -0.00271    1.77065
  7 Pt   -0.00000    0.01314    0.45077
  8 Pt    0.00000   -0.04218    0.79746
  9 O    -1.58110    0.00106    0.04887
 10 O     1.58110    0.00106    0.04887
 11 O     0.00000   -0.00878   -0.55887
 12 O    -0.00000    0.00687    0.04218
 13 Pt   -0.00000    0.04259   -0.00805
 14 Pt    0.00000   -0.02165   -0.00113
 15 O    -0.00113    0.00944    0.00266
 16 O     0.00113    0.00944    0.00266
 17 O     0.00000   -0.04215   -0.15489
 18 O    -0.00000    0.00069    0.01548
 19 Pt    0.00000   -0.04189   -0.00777
 20 Pt   -0.00000    0.06016    0.07456
 21 O    -0.08356    0.13355    0.09561
 22 O     0.08356    0.13355    0.09561
 23 O     0.00000   -0.01625   -0.00204
 24 O     0.00000    0.00030    1.15147
 25 Pt   -0.00000    0.00609   -0.38334
 26 Pt    0.00000   -0.00012   -0.43476
 27 O    -1.69172    0.01375   -0.71860
 28 O     1.69172    0.01375   -0.71860
 29 O    -0.00000    0.05758   -1.38442
 30 O     0.00000   -0.00522    1.83257
 31 Pt   -0.00000    0.01985    0.51069
 32 Pt    0.00000   -0.18233    0.54654
 33 O    -1.61388   -0.01943    0.06815
 34 O     1.61388   -0.01943    0.06815
 35 O     0.00000   -0.03259   -0.52076
 36 O    -0.00000    0.06241   -0.05401
 37 Pt    0.00000   -0.06010   -0.01474
 38 Pt    0.00000   -0.00348   -0.01116
 39 O     0.00955    0.01338    0.01514
 40 O    -0.00955    0.01338    0.01514
 41 O     0.00000    0.00891   -0.01455
 42 O    -0.00000    0.01879   -0.00927
 43 Pt   -0.00000    0.01167   -0.01445
 44 Pt    0.00000   -0.00038   -0.00014
 45 O    -0.06077   -0.10679    0.06531
 46 O     0.06077   -0.10679    0.06531
 47 O     0.00000   -0.02878   -0.01097
 48 O    -0.00000    0.02139    1.17341
 49 Pt    0.00000   -0.02297   -0.38555
 50 Pt   -0.00000    0.02114   -0.43671
 51 O    -1.69010   -0.01393   -0.71956
 52 O     1.69010   -0.01393   -0.71956
 53 O     0.00000   -0.02306   -1.39997
 54 O     0.00000   -0.00129    1.77565
 55 Pt    0.00000   -0.01200    0.51446
 56 Pt   -0.00000    0.16351    0.62241
 57 O    -1.61249    0.01386    0.09770
 58 O     1.61249    0.01386    0.09770
 59 O     0.00000   -0.02128   -0.51228
 60 O     0.00000   -0.05676   -0.05357
 61 Pt   -0.00000    0.01116   -0.00939
 62 Pt   -0.00000    0.01770   -0.00535
 63 O    -0.00291   -0.00796    0.00166
 64 O     0.00291   -0.00796    0.00166
 65 O     0.00000   -0.00537   -0.00498
 66 O    -0.00000    0.00463    0.00258
 67 Pt   -0.00000    0.00670    0.00393
 68 Pt   -0.00000    0.08161   -0.03040
 69 O    -0.00357   -0.00469   -0.00025
 70 O     0.00357   -0.00469   -0.00025
 71 O    -0.00000    0.01058   -0.00896
 72 N     0.00000   -0.08899    0.00088
 73 N     0.00000   -0.04757   -0.06710

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    2.176388   24.406528    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.810638   23.363521    ( 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  06:29:36  -3.40   +inf  -414.285380    3      1      
iter:   2  06:31:26  -3.97  -3.30  -414.366579    3      1      
iter:   3  06:33:16  -4.29  -2.67  -414.291707    3      1      
iter:   4  06:35:05  -4.76  -3.39  -414.286058    3      1      
iter:   5  06:36:55  -5.10  -3.89  -414.286090    3      1      
iter:   6  06:38:44  -5.12  -3.87  -414.285899    3      1      
iter:   7  06:40:34  -5.37  -4.24  -414.285639    2      1      
iter:   8  06:42:24  -5.75  -4.46  -414.285621    2      1      
iter:   9  06:44:15  -6.13  -4.60  -414.285296    2      1      
iter:  10  06:46:06  -6.68  -4.53  -414.285756    2      1      
iter:  11  06:47:58  -6.82  -4.48  -414.285491    2      1      
iter:  12  06:49:50  -7.02  -4.57  -414.285473    2      1      
iter:  13  06:51:42  -7.28  -4.81  -414.285571    2      1      
iter:  14  06:53:32  -7.39  -4.91  -414.285584    2      1      
iter:  15  06:55:23  -7.50  -5.02  -414.285610    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961123, -32.972844, 0.293557) |e|*Ang

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

Kinetic:        +19.246506
Potential:     -137.182726
External:        +0.000000
XC:            -306.104220
Entropy (-ST):   -1.547340
Local:          +10.528500
--------------------------
Free energy:   -415.059280
Extrapolated:  -414.285610

Fermi level: -6.28942

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.37249    0.15478
  0   340     -6.34541    0.14143
  0   341     -6.34353    0.14046
  0   342     -6.30947    0.12221

  1   339     -6.26733    0.19777
  1   340     -6.21680    0.14490
  1   341     -6.17647    0.10856
  1   342     -6.17552    0.10778



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17353
  1 Pt   -0.00000    0.00815   -0.38040
  2 Pt    0.00000   -0.01910   -0.43681
  3 O    -1.68292   -0.00018   -0.71930
  4 O     1.68292   -0.00018   -0.71930
  5 O     0.00000   -0.01094   -1.40815
  6 O     0.00000   -0.00277    1.77259
  7 Pt   -0.00000    0.01341    0.45161
  8 Pt    0.00000   -0.04200    0.79687
  9 O    -1.58105    0.00119    0.04909
 10 O     1.58105    0.00119    0.04909
 11 O     0.00000   -0.00878   -0.55843
 12 O    -0.00000    0.00746    0.04411
 13 Pt   -0.00000    0.04478   -0.00795
 14 Pt    0.00000   -0.02152   -0.00081
 15 O    -0.00145    0.00964    0.00297
 16 O     0.00145    0.00964    0.00297
 17 O     0.00000   -0.03248   -0.16439
 18 O    -0.00000    0.00080    0.01518
 19 Pt    0.00000   -0.04254   -0.00889
 20 Pt   -0.00000    0.03907    0.07412
 21 O    -0.08726    0.13907    0.09451
 22 O     0.08726    0.13907    0.09451
 23 O     0.00000   -0.01721   -0.00520
 24 O     0.00000    0.00031    1.15153
 25 Pt   -0.00000    0.00641   -0.38311
 26 Pt    0.00000   -0.00002   -0.43485
 27 O    -1.69139    0.01379   -0.71868
 28 O     1.69139    0.01379   -0.71868
 29 O    -0.00000    0.05734   -1.38488
 30 O     0.00000   -0.00514    1.83393
 31 Pt   -0.00000    0.01964    0.51168
 32 Pt    0.00000   -0.18155    0.54791
 33 O    -1.61378   -0.01959    0.06835
 34 O     1.61378   -0.01959    0.06835
 35 O     0.00000   -0.03261   -0.52024
 36 O    -0.00000    0.06524   -0.05533
 37 Pt    0.00000   -0.06478   -0.01495
 38 Pt    0.00000   -0.00369   -0.01059
 39 O     0.00896    0.01326    0.01551
 40 O    -0.00896    0.01326    0.01551
 41 O     0.00000    0.00884   -0.01168
 42 O    -0.00000    0.01894   -0.00966
 43 Pt   -0.00000    0.01212   -0.01560
 44 Pt    0.00000   -0.00175   -0.00439
 45 O    -0.06620   -0.11557    0.06827
 46 O     0.06620   -0.11557    0.06827
 47 O     0.00000   -0.02717   -0.01337
 48 O    -0.00000    0.02135    1.17350
 49 Pt    0.00000   -0.02294   -0.38527
 50 Pt   -0.00000    0.02105   -0.43679
 51 O    -1.68986   -0.01392   -0.71963
 52 O     1.68986   -0.01392   -0.71963
 53 O     0.00000   -0.02287   -1.40052
 54 O     0.00000   -0.00131    1.77691
 55 Pt    0.00000   -0.01204    0.51520
 56 Pt   -0.00000    0.16285    0.62375
 57 O    -1.61232    0.01384    0.09765
 58 O     1.61232    0.01384    0.09765
 59 O     0.00000   -0.02125   -0.51191
 60 O     0.00000   -0.05994   -0.05507
 61 Pt   -0.00000    0.01128   -0.01029
 62 Pt   -0.00000    0.01778   -0.00460
 63 O    -0.00349   -0.00806    0.00200
 64 O     0.00349   -0.00806    0.00200
 65 O     0.00000   -0.00554   -0.00218
 66 O    -0.00000    0.00426    0.00235
 67 Pt   -0.00000    0.00696    0.00385
 68 Pt   -0.00000    0.08317   -0.03219
 69 O    -0.00489   -0.00462   -0.00218
 70 O     0.00489   -0.00462   -0.00218
 71 O    -0.00000    0.00975   -0.01053
 72 N     0.00000   -0.11294   -0.05874
 73 N     0.00000   -0.03543   -0.06872

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    2.180245   24.411756    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.802442   23.372775    ( 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  07:11:32  -3.38   +inf  -414.288892    3      1      
iter:   2  07:13:23  -3.74  -3.11  -414.534065    3      1      
iter:   3  07:15:14  -4.06  -2.41  -414.293001    3      1      
iter:   4  07:17:03  -4.58  -3.36  -414.285250    3      1      
iter:   5  07:18:53  -4.91  -3.75  -414.284459    3      1      
iter:   6  07:20:42  -5.16  -4.27  -414.284663    3      1      
iter:   7  07:22:32  -5.30  -4.12  -414.284452    3      1      
iter:   8  07:24:22  -5.65  -4.37  -414.284432    2      1      
iter:   9  07:26:14  -6.03  -4.57  -414.284506    2      1      
iter:  10  07:28:05  -6.39  -4.58  -414.284137    2      1      
iter:  11  07:29:56  -6.84  -4.55  -414.284451    2      1      
iter:  12  07:31:46  -7.11  -4.73  -414.284397    2      1      
iter:  13  07:33:36  -7.41  -4.69  -414.284406    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961188, -32.970307, 0.291111) |e|*Ang

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

Kinetic:        +19.117059
Potential:     -137.089031
External:        +0.000000
XC:            -306.069162
Entropy (-ST):   -1.547882
Local:          +10.530669
--------------------------
Free energy:   -415.058347
Extrapolated:  -414.284406

Fermi level: -6.29115

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.37414    0.15474
  0   340     -6.34723    0.14147
  0   341     -6.34534    0.14050
  0   342     -6.31132    0.12228

  1   339     -6.26911    0.19783
  1   340     -6.21855    0.14492
  1   341     -6.17833    0.10866
  1   342     -6.17711    0.10766



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17338
  1 Pt   -0.00000    0.00783   -0.37964
  2 Pt    0.00000   -0.01912   -0.43555
  3 O    -1.68207   -0.00018   -0.71903
  4 O     1.68207   -0.00018   -0.71903
  5 O     0.00000   -0.01097   -1.40748
  6 O     0.00000   -0.00270    1.77533
  7 Pt   -0.00000    0.01330    0.45205
  8 Pt    0.00000   -0.04173    0.79620
  9 O    -1.58093    0.00099    0.04934
 10 O     1.58093    0.00099    0.04934
 11 O     0.00000   -0.00876   -0.55954
 12 O    -0.00000    0.00788    0.04729
 13 Pt   -0.00000    0.04863   -0.00782
 14 Pt    0.00000   -0.02174    0.00034
 15 O    -0.00093    0.00967    0.00316
 16 O     0.00093    0.00967    0.00316
 17 O     0.00000   -0.02265   -0.18091
 18 O    -0.00000    0.00064    0.01534
 19 Pt    0.00000   -0.04246   -0.00961
 20 Pt   -0.00000    0.01840    0.07573
 21 O    -0.08845    0.14243    0.09588
 22 O     0.08845    0.14243    0.09588
 23 O     0.00000   -0.01664   -0.00562
 24 O     0.00000    0.00027    1.15130
 25 Pt   -0.00000    0.00675   -0.38228
 26 Pt    0.00000   -0.00004   -0.43361
 27 O    -1.69053    0.01378   -0.71840
 28 O     1.69053    0.01378   -0.71840
 29 O    -0.00000    0.05696   -1.38480
 30 O     0.00000   -0.00536    1.83699
 31 Pt   -0.00000    0.01974    0.51203
 32 Pt    0.00000   -0.18059    0.54894
 33 O    -1.61370   -0.01942    0.06851
 34 O     1.61370   -0.01942    0.06851
 35 O     0.00000   -0.03271   -0.52096
 36 O    -0.00000    0.06987   -0.05794
 37 Pt    0.00000   -0.07066   -0.01501
 38 Pt    0.00000   -0.00352   -0.01009
 39 O     0.00963    0.01324    0.01574
 40 O    -0.00963    0.01324    0.01574
 41 O     0.00000    0.00887   -0.00944
 42 O    -0.00000    0.01866   -0.00965
 43 Pt   -0.00000    0.01207   -0.01299
 44 Pt    0.00000   -0.00630   -0.00148
 45 O    -0.07112   -0.12288    0.07940
 46 O     0.07112   -0.12288    0.07940
 47 O     0.00000   -0.02802   -0.01355
 48 O    -0.00000    0.02137    1.17326
 49 Pt    0.00000   -0.02292   -0.38438
 50 Pt   -0.00000    0.02109   -0.43557
 51 O    -1.68902   -0.01392   -0.71935
 52 O     1.68902   -0.01392   -0.71935
 53 O     0.00000   -0.02261   -1.40074
 54 O     0.00000   -0.00115    1.77992
 55 Pt    0.00000   -0.01202    0.51587
 56 Pt   -0.00000    0.16192    0.62511
 57 O    -1.61230    0.01380    0.09764
 58 O     1.61230    0.01380    0.09764
 59 O     0.00000   -0.02117   -0.51237
 60 O     0.00000   -0.06464   -0.05794
 61 Pt   -0.00000    0.01120   -0.01168
 62 Pt   -0.00000    0.01786   -0.00437
 63 O    -0.00354   -0.00807    0.00196
 64 O     0.00354   -0.00807    0.00196
 65 O     0.00000   -0.00595   -0.00124
 66 O    -0.00000    0.00463    0.00220
 67 Pt   -0.00000    0.00678    0.00326
 68 Pt   -0.00000    0.08661   -0.03212
 69 O    -0.00455   -0.00502   -0.00175
 70 O     0.00455   -0.00502   -0.00175
 71 O    -0.00000    0.01014   -0.01075
 72 N     0.00000   -0.12269   -0.08928
 73 N     0.00000   -0.04522   -0.07803

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    2.184284   24.416907    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.793685   23.382339    ( 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  07:58:19  -3.34   +inf  -414.318211    3      1      
iter:   2  08:00:08  -3.28  -2.81  -415.411462    3      1      
iter:   3  08:01:58  -3.59  -2.09  -414.289965    3      1      
iter:   4  08:03:48  -4.22  -3.31  -414.284322    3      1      
iter:   5  08:05:39  -4.58  -3.81  -414.284886    3      1      
iter:   6  08:07:30  -4.96  -3.92  -414.283348    2      1      
iter:   7  08:09:21  -5.16  -4.19  -414.283380    3      1      
iter:   8  08:11:13  -5.41  -4.19  -414.283385    2      1      
iter:   9  08:13:06  -5.82  -4.51  -414.283245    2      1      
iter:  10  08:14:59  -6.59  -4.31  -414.283514    2      1      
iter:  11  08:16:52  -6.70  -4.34  -414.283278    2      1      
iter:  12  08:18:45  -6.75  -4.57  -414.283491    2      1      
iter:  13  08:20:37  -7.16  -4.78  -414.283244    2      1      
iter:  14  08:22:30  -7.24  -4.64  -414.283462    2      1      
iter:  15  08:24:23  -7.50  -4.84  -414.283425    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961159, -32.966822, 0.287713) |e|*Ang

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

Kinetic:        +19.090439
Potential:     -137.089728
External:        +0.000000
XC:            -306.039296
Entropy (-ST):   -1.548204
Local:          +10.529263
--------------------------
Free energy:   -415.057527
Extrapolated:  -414.283425

Fermi level: -6.29399

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.37695    0.15473
  0   340     -6.35007    0.14148
  0   341     -6.34821    0.14052
  0   342     -6.31428    0.12235

  1   339     -6.27188    0.19776
  1   340     -6.22139    0.14493
  1   341     -6.18128    0.10876
  1   342     -6.17978    0.10753



Forces in eV/Ang:
  0 O     0.00000   -0.01757    1.17339
  1 Pt   -0.00000    0.00754   -0.37991
  2 Pt    0.00000   -0.01911   -0.43645
  3 O    -1.68202   -0.00015   -0.71925
  4 O     1.68202   -0.00015   -0.71925
  5 O     0.00000   -0.01105   -1.40747
  6 O     0.00000   -0.00275    1.77501
  7 Pt   -0.00000    0.01344    0.45247
  8 Pt    0.00000   -0.04158    0.79531
  9 O    -1.58083    0.00101    0.04996
 10 O     1.58083    0.00101    0.04996
 11 O     0.00000   -0.00878   -0.55915
 12 O    -0.00000    0.00842    0.04944
 13 Pt   -0.00000    0.05133   -0.00803
 14 Pt    0.00000   -0.02172    0.00018
 15 O    -0.00102    0.00976    0.00376
 16 O     0.00102    0.00976    0.00376
 17 O     0.00000   -0.01339   -0.19400
 18 O    -0.00000    0.00061    0.01583
 19 Pt    0.00000   -0.04250   -0.00947
 20 Pt    0.00000   -0.00204    0.07346
 21 O    -0.09205    0.14805    0.09574
 22 O     0.09205    0.14805    0.09574
 23 O     0.00000   -0.01740   -0.00860
 24 O     0.00000    0.00021    1.15125
 25 Pt   -0.00000    0.00706   -0.38258
 26 Pt    0.00000   -0.00006   -0.43455
 27 O    -1.69050    0.01376   -0.71863
 28 O     1.69050    0.01376   -0.71863
 29 O    -0.00000    0.05677   -1.38545
 30 O     0.00000   -0.00513    1.83665
 31 Pt   -0.00000    0.01964    0.51255
 32 Pt    0.00000   -0.17962    0.55006
 33 O    -1.61354   -0.01949    0.06909
 34 O     1.61354   -0.01949    0.06909
 35 O     0.00000   -0.03263   -0.52056
 36 O    -0.00000    0.07242   -0.05885
 37 Pt    0.00000   -0.07591   -0.01552
 38 Pt    0.00000   -0.00368   -0.01032
 39 O     0.00925    0.01320    0.01635
 40 O    -0.00925    0.01320    0.01635
 41 O     0.00000    0.00867   -0.00831
 42 O    -0.00000    0.01890   -0.00976
 43 Pt   -0.00000    0.01201   -0.01283
 44 Pt    0.00000   -0.00772   -0.00494
 45 O    -0.07618   -0.13107    0.08241
 46 O     0.07618   -0.13107    0.08241
 47 O     0.00000   -0.02710   -0.01523
 48 O    -0.00000    0.02139    1.17322
 49 Pt    0.00000   -0.02290   -0.38450
 50 Pt   -0.00000    0.02109   -0.43647
 51 O    -1.68901   -0.01393   -0.71953
 52 O     1.68901   -0.01393   -0.71953
 53 O     0.00000   -0.02247   -1.40143
 54 O     0.00000   -0.00133    1.77962
 55 Pt    0.00000   -0.01203    0.51623
 56 Pt   -0.00000    0.16105    0.62625
 57 O    -1.61213    0.01380    0.09800
 58 O     1.61213    0.01380    0.09800
 59 O     0.00000   -0.02123   -0.51213
 60 O     0.00000   -0.06761   -0.05894
 61 Pt   -0.00000    0.01146   -0.01311
 62 Pt   -0.00000    0.01800   -0.00435
 63 O    -0.00392   -0.00809    0.00259
 64 O     0.00392   -0.00809    0.00259
 65 O     0.00000   -0.00589   -0.00002
 66 O    -0.00000    0.00433    0.00218
 67 Pt   -0.00000    0.00695    0.00412
 68 Pt   -0.00000    0.08856   -0.03261
 69 O    -0.00578   -0.00495   -0.00318
 70 O     0.00578   -0.00495   -0.00318
 71 O    -0.00000    0.00985   -0.01172
 72 N     0.00000   -0.13898   -0.07845
 73 N    -0.00000    0.02419    0.04820

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    2.187538   24.422719    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.785130   23.392744    ( 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  08:40:53  -3.33   +inf  -414.324204    3      1      
iter:   2  08:43:00  -3.21  -2.77  -415.615935    3      1      
iter:   3  08:45:07  -3.53  -2.05  -414.290982    3      1      
iter:   4  08:47:14  -4.16  -3.27  -414.283717    3      1      
iter:   5  08:49:21  -4.57  -3.81  -414.284351    3      1      
iter:   6  08:51:29  -4.91  -3.93  -414.282694    2      1      
iter:   7  08:53:35  -5.23  -4.23  -414.282769    3      1      
iter:   8  08:55:43  -5.51  -4.23  -414.282770    2      1      
iter:   9  08:57:50  -5.95  -4.50  -414.282855    2      1      
iter:  10  08:59:57  -6.25  -4.27  -414.282768    2      1      
iter:  11  09:02:04  -6.60  -4.07  -414.282610    1      1      
iter:  12  09:04:12  -6.77  -4.59  -414.282849    2      1      
iter:  13  09:06:19  -7.02  -4.59  -414.282660    2      1      
iter:  14  09:08:26  -7.35  -4.85  -414.282761    2      1      
iter:  15  09:10:34  -7.56  -5.04  -414.282749    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961197, -32.963538, 0.285341) |e|*Ang

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

Kinetic:        +19.041646
Potential:     -137.067034
External:        +0.000000
XC:            -306.013132
Entropy (-ST):   -1.548707
Local:          +10.530125
--------------------------
Free energy:   -415.057102
Extrapolated:  -414.282749

Fermi level: -6.29629

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.37930    0.15475
  0   340     -6.35209    0.14133
  0   341     -6.35023    0.14037
  0   342     -6.31689    0.12252

  1   339     -6.27407    0.19764
  1   340     -6.22349    0.14473
  1   341     -6.18369    0.10885
  1   342     -6.18201    0.10747



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17353
  1 Pt   -0.00000    0.00720   -0.37991
  2 Pt    0.00000   -0.01911   -0.43626
  3 O    -1.68317   -0.00015   -0.71919
  4 O     1.68317   -0.00015   -0.71919
  5 O     0.00000   -0.01110   -1.40652
  6 O     0.00000   -0.00276    1.77082
  7 Pt   -0.00000    0.01355    0.45063
  8 Pt    0.00000   -0.04138    0.79306
  9 O    -1.58116    0.00098    0.04942
 10 O     1.58116    0.00098    0.04942
 11 O     0.00000   -0.00877   -0.56017
 12 O    -0.00000    0.00895    0.05182
 13 Pt   -0.00000    0.05512   -0.01088
 14 Pt    0.00000   -0.02181   -0.00125
 15 O    -0.00069    0.00988    0.00307
 16 O     0.00069    0.00988    0.00307
 17 O     0.00000   -0.00447   -0.21257
 18 O     0.00000    0.00049    0.01631
 19 Pt    0.00000   -0.04239   -0.00909
 20 Pt    0.00000   -0.02245    0.07168
 21 O    -0.09395    0.15299    0.09818
 22 O     0.09395    0.15299    0.09818
 23 O     0.00000   -0.01704   -0.00874
 24 O     0.00000    0.00018    1.15134
 25 Pt   -0.00000    0.00739   -0.38257
 26 Pt    0.00000   -0.00005   -0.43439
 27 O    -1.69166    0.01375   -0.71858
 28 O     1.69166    0.01375   -0.71858
 29 O    -0.00000    0.05646   -1.38545
 30 O     0.00000   -0.00509    1.83245
 31 Pt   -0.00000    0.01957    0.51074
 32 Pt    0.00000   -0.17858    0.54986
 33 O    -1.61385   -0.01948    0.06850
 34 O     1.61385   -0.01948    0.06850
 35 O     0.00000   -0.03261   -0.52142
 36 O    -0.00000    0.07660   -0.06171
 37 Pt    0.00000   -0.08154   -0.01885
 38 Pt    0.00000   -0.00363   -0.01189
 39 O     0.00953    0.01311    0.01561
 40 O    -0.00953    0.01311    0.01561
 41 O     0.00000    0.00840   -0.01245
 42 O    -0.00000    0.01935   -0.00982
 43 Pt   -0.00000    0.01184   -0.00999
 44 Pt    0.00000   -0.01124   -0.00176
 45 O    -0.08126   -0.13952    0.09274
 46 O     0.08126   -0.13952    0.09274
 47 O     0.00000   -0.02724   -0.01476
 48 O    -0.00000    0.02139    1.17332
 49 Pt    0.00000   -0.02287   -0.38440
 50 Pt   -0.00000    0.02108   -0.43631
 51 O    -1.69020   -0.01392   -0.71946
 52 O     1.69020   -0.01392   -0.71946
 53 O     0.00000   -0.02225   -1.40161
 54 O     0.00000   -0.00137    1.77539
 55 Pt    0.00000   -0.01205    0.51441
 56 Pt   -0.00000    0.16008    0.62613
 57 O    -1.61247    0.01377    0.09716
 58 O     1.61247    0.01377    0.09716
 59 O     0.00000   -0.02125   -0.51298
 60 O     0.00000   -0.07204   -0.06192
 61 Pt   -0.00000    0.01151   -0.01743
 62 Pt   -0.00000    0.01804   -0.00587
 63 O    -0.00403   -0.00810    0.00189
 64 O     0.00403   -0.00810    0.00189
 65 O     0.00000   -0.00596   -0.00482
 66 O     0.00000    0.00398    0.00207
 67 Pt   -0.00000    0.00693    0.00439
 68 Pt   -0.00000    0.09135   -0.03086
 69 O    -0.00498   -0.00516   -0.00306
 70 O     0.00498   -0.00516   -0.00306
 71 O    -0.00000    0.00969   -0.01115
 72 N     0.00000   -0.15447   -0.06778
 73 N    -0.00000    0.06037    0.03312

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    2.190540   24.428804    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.777269   23.403057    ( 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  09:23:02  -3.38   +inf  -414.279333    3      1      
iter:   2  09:25:05  -4.04  -3.43  -414.313160    3      1      
iter:   3  09:27:09  -4.41  -2.89  -414.286433    3      1      
iter:   4  09:29:11  -4.85  -3.39  -414.281363    3      1      
iter:   5  09:31:13  -5.15  -3.94  -414.281499    3      1      
iter:   6  09:33:17  -5.14  -3.95  -414.281381    3      1      
iter:   7  09:35:21  -5.43  -4.24  -414.281173    2      1      
iter:   8  09:37:26  -5.78  -4.43  -414.281186    2      1      
iter:   9  09:39:30  -6.17  -4.53  -414.280796    2      1      
iter:  10  09:41:35  -6.71  -4.50  -414.281217    2      1      
iter:  11  09:43:39  -6.87  -4.55  -414.281001    2      1      
iter:  12  09:45:44  -7.05  -4.71  -414.281024    2      1      
iter:  13  09:47:48  -7.30  -4.85  -414.281107    2      1      
iter:  14  09:49:52  -7.44  -4.86  -414.281108    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961226, -32.959795, 0.281705) |e|*Ang

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

Kinetic:        +18.997322
Potential:     -137.047501
External:        +0.000000
XC:            -305.986116
Entropy (-ST):   -1.549093
Local:          +10.529734
--------------------------
Free energy:   -415.055655
Extrapolated:  -414.281108

Fermi level: -6.29910

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38199    0.15469
  0   340     -6.35506    0.14141
  0   341     -6.35322    0.14046
  0   342     -6.31983    0.12259

  1   339     -6.27688    0.19763
  1   340     -6.22640    0.14482
  1   341     -6.18668    0.10899
  1   342     -6.18460    0.10729



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17341
  1 Pt   -0.00000    0.00689   -0.37954
  2 Pt    0.00000   -0.01913   -0.43615
  3 O    -1.68250   -0.00017   -0.71916
  4 O     1.68250   -0.00017   -0.71916
  5 O     0.00000   -0.01115   -1.40562
  6 O     0.00000   -0.00276    1.77380
  7 Pt   -0.00000    0.01366    0.45187
  8 Pt    0.00000   -0.04121    0.79253
  9 O    -1.58108    0.00099    0.04966
 10 O     1.58108    0.00099    0.04966
 11 O     0.00000   -0.00877   -0.55943
 12 O    -0.00000    0.00936    0.05476
 13 Pt   -0.00000    0.05892   -0.01025
 14 Pt    0.00000   -0.02188   -0.00051
 15 O    -0.00083    0.00987    0.00324
 16 O     0.00083    0.00987    0.00324
 17 O    -0.00000    0.00294   -0.22615
 18 O     0.00000    0.00041    0.01646
 19 Pt    0.00000   -0.04282   -0.00752
 20 Pt    0.00000   -0.03861    0.07221
 21 O    -0.09780    0.15982    0.09926
 22 O     0.09780    0.15982    0.09926
 23 O     0.00000   -0.01699   -0.00982
 24 O     0.00000    0.00017    1.15111
 25 Pt   -0.00000    0.00771   -0.38219
 26 Pt    0.00000   -0.00002   -0.43440
 27 O    -1.69099    0.01377   -0.71855
 28 O     1.69099    0.01377   -0.71855
 29 O    -0.00000    0.05614   -1.38531
 30 O     0.00000   -0.00513    1.83532
 31 Pt   -0.00000    0.01949    0.51203
 32 Pt    0.00000   -0.17767    0.55149
 33 O    -1.61377   -0.01950    0.06871
 34 O     1.61377   -0.01950    0.06871
 35 O     0.00000   -0.03265   -0.52054
 36 O    -0.00000    0.08016   -0.06269
 37 Pt    0.00000   -0.08713   -0.01850
 38 Pt    0.00000   -0.00340   -0.01107
 39 O     0.00929    0.01314    0.01581
 40 O    -0.00929    0.01314    0.01581
 41 O     0.00000    0.00859   -0.01003
 42 O    -0.00000    0.01960   -0.00981
 43 Pt   -0.00000    0.01213   -0.00694
 44 Pt    0.00000   -0.01469   -0.00018
 45 O    -0.08746   -0.14918    0.09948
 46 O     0.08746   -0.14918    0.09948
 47 O     0.00000   -0.02679   -0.01531
 48 O    -0.00000    0.02138    1.17310
 49 Pt    0.00000   -0.02285   -0.38399
 50 Pt   -0.00000    0.02107   -0.43632
 51 O    -1.68958   -0.01392   -0.71942
 52 O     1.68958   -0.01392   -0.71942
 53 O     0.00000   -0.02198   -1.40159
 54 O     0.00000   -0.00133    1.77818
 55 Pt    0.00000   -0.01207    0.51580
 56 Pt   -0.00000    0.15922    0.62788
 57 O    -1.61237    0.01374    0.09721
 58 O     1.61237    0.01374    0.09721
 59 O     0.00000   -0.02122   -0.51210
 60 O     0.00000   -0.07585   -0.06294
 61 Pt   -0.00000    0.01164   -0.01850
 62 Pt   -0.00000    0.01788   -0.00490
 63 O    -0.00475   -0.00811    0.00214
 64 O     0.00475   -0.00811    0.00214
 65 O     0.00000   -0.00626   -0.00283
 66 O     0.00000    0.00372    0.00211
 67 Pt   -0.00000    0.00698    0.00556
 68 Pt   -0.00000    0.09434   -0.02946
 69 O    -0.00521   -0.00523   -0.00390
 70 O     0.00521   -0.00523   -0.00390
 71 O    -0.00000    0.00921   -0.01152
 72 N     0.00000   -0.15070   -0.13523
 73 N    -0.00000    0.10266    0.03190

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    2.192022   24.431620    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.772769   23.409402    ( 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  10:07:20  -3.86   +inf  -414.282350    2      1      
iter:   2  10:09:24  -4.13  -3.29  -414.409454    3      1      
iter:   3  10:11:26  -4.36  -2.55  -414.281320    3      1      
iter:   4  10:13:28  -5.02  -3.97  -414.279903    3      1      
iter:   5  10:15:30  -5.35  -4.13  -414.279990    2      1      
iter:   6  10:17:33  -5.64  -4.36  -414.280120    2      1      
iter:   7  10:19:37  -5.87  -4.39  -414.280087    2      1      
iter:   8  10:21:41  -6.10  -4.45  -414.280075    2      1      
iter:   9  10:23:46  -6.65  -4.90  -414.280007    2      1      
iter:  10  10:25:49  -7.01  -4.98  -414.280069    2      1      
iter:  11  10:27:52  -7.49  -5.10  -414.279995    2      1      

Converged after 11 iterations.

Dipole moment: (-55.961239, -32.957667, 0.279228) |e|*Ang

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

Kinetic:        +19.163467
Potential:     -137.191428
External:        +0.000000
XC:            -306.006756
Entropy (-ST):   -1.549548
Local:          +10.529496
--------------------------
Free energy:   -415.054769
Extrapolated:  -414.279995

Fermi level: -6.30087

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38368    0.15466
  0   340     -6.35684    0.14142
  0   341     -6.35499    0.14046
  0   342     -6.32171    0.12265

  1   339     -6.27871    0.19770
  1   340     -6.22811    0.14477
  1   341     -6.18853    0.10906
  1   342     -6.18632    0.10725



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17359
  1 Pt   -0.00000    0.00666   -0.37929
  2 Pt    0.00000   -0.01910   -0.43574
  3 O    -1.68203   -0.00012   -0.71924
  4 O     1.68203   -0.00012   -0.71924
  5 O     0.00000   -0.01115   -1.40594
  6 O     0.00000   -0.00272    1.77445
  7 Pt   -0.00000    0.01352    0.45118
  8 Pt    0.00000   -0.04114    0.79189
  9 O    -1.58127    0.00077    0.04899
 10 O     1.58127    0.00077    0.04899
 11 O     0.00000   -0.00878   -0.56140
 12 O    -0.00000    0.00946    0.05567
 13 Pt   -0.00000    0.06142   -0.01246
 14 Pt    0.00000   -0.02200   -0.00068
 15 O    -0.00056    0.00980    0.00239
 16 O     0.00056    0.00980    0.00239
 17 O    -0.00000    0.00675   -0.24007
 18 O     0.00000    0.00021    0.01657
 19 Pt    0.00000   -0.04265   -0.00982
 20 Pt    0.00000   -0.04572    0.07258
 21 O    -0.09745    0.16136    0.10030
 22 O     0.09745    0.16136    0.10030
 23 O     0.00000   -0.01651   -0.01206
 24 O     0.00000    0.00007    1.15125
 25 Pt   -0.00000    0.00795   -0.38191
 26 Pt    0.00000   -0.00013   -0.43384
 27 O    -1.69053    0.01371   -0.71863
 28 O     1.69053    0.01371   -0.71863
 29 O    -0.00000    0.05596   -1.38575
 30 O     0.00000   -0.00513    1.83665
 31 Pt   -0.00000    0.01960    0.51125
 32 Pt    0.00000   -0.17692    0.55164
 33 O    -1.61394   -0.01933    0.06797
 34 O     1.61394   -0.01933    0.06797
 35 O     0.00000   -0.03265   -0.52243
 36 O    -0.00000    0.08187   -0.06475
 37 Pt    0.00000   -0.09062   -0.02080
 38 Pt    0.00000   -0.00359   -0.01161
 39 O     0.00959    0.01322    0.01487
 40 O    -0.00959    0.01322    0.01487
 41 O     0.00000    0.00850   -0.01063
 42 O    -0.00000    0.01946   -0.01005
 43 Pt   -0.00000    0.01201   -0.00719
 44 Pt    0.00000   -0.01638    0.00046
 45 O    -0.08925   -0.15244    0.10473
 46 O     0.08925   -0.15244    0.10473
 47 O     0.00000   -0.02746   -0.01583
 48 O    -0.00000    0.02144    1.17322
 49 Pt    0.00000   -0.02284   -0.38351
 50 Pt   -0.00000    0.02116   -0.43574
 51 O    -1.68905   -0.01392   -0.71947
 52 O     1.68905   -0.01392   -0.71947
 53 O     0.00000   -0.02186   -1.40209
 54 O     0.00000   -0.00136    1.77964
 55 Pt    0.00000   -0.01203    0.51510
 56 Pt   -0.00000    0.15850    0.62812
 57 O    -1.61270    0.01376    0.09632
 58 O     1.61270    0.01376    0.09632
 59 O     0.00000   -0.02123   -0.51393
 60 O     0.00000   -0.07757   -0.06508
 61 Pt   -0.00000    0.01163   -0.02080
 62 Pt   -0.00000    0.01821   -0.00553
 63 O    -0.00472   -0.00811    0.00125
 64 O     0.00472   -0.00811    0.00125
 65 O     0.00000   -0.00615   -0.00370
 66 O    -0.00000    0.00409    0.00186
 67 Pt   -0.00000    0.00681    0.00441
 68 Pt   -0.00000    0.09531   -0.03061
 69 O    -0.00495   -0.00543   -0.00336
 70 O     0.00495   -0.00543   -0.00336
 71 O    -0.00000    0.00954   -0.01223
 72 N     0.00000   -0.05845   -0.02453
 73 N    -0.00000    0.09065   -0.10105

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    2.192936   24.432937    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.772671   23.411804    ( 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  10:51:36  -4.71   +inf  -414.288411    3      1      
iter:   2  10:53:41  -4.15  -3.23  -414.447027    3      1      
iter:   3  10:55:47  -4.35  -2.49  -414.277857    3      1      
iter:   4  10:57:51  -5.04  -3.70  -414.279880    3      1      
iter:   5  10:59:57  -5.66  -4.45  -414.279688    2      1      
iter:   6  11:02:02  -5.97  -4.68  -414.279621    2      1      
iter:   7  11:04:06  -6.44  -4.61  -414.279711    2      1      
iter:   8  11:06:11  -6.76  -5.05  -414.279673    2      1      
iter:   9  11:08:17  -7.31  -4.93  -414.279706    2      1      
iter:  10  11:10:21  -7.44  -4.90  -414.279736    2      1      

Converged after 10 iterations.

Dipole moment: (-55.961226, -32.956257, 0.278733) |e|*Ang

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

Kinetic:        +19.268937
Potential:     -137.281374
External:        +0.000000
XC:            -306.021931
Entropy (-ST):   -1.549382
Local:          +10.529324
--------------------------
Free energy:   -415.054428
Extrapolated:  -414.279736

Fermi level: -6.30184

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38470    0.15468
  0   340     -6.35763    0.14133
  0   341     -6.35578    0.14037
  0   342     -6.32277    0.12270

  1   339     -6.27944    0.19744
  1   340     -6.22899    0.14468
  1   341     -6.18948    0.10905
  1   342     -6.18724    0.10721



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17371
  1 Pt   -0.00000    0.00663   -0.38016
  2 Pt    0.00000   -0.01910   -0.43672
  3 O    -1.68339   -0.00011   -0.71950
  4 O     1.68339   -0.00011   -0.71950
  5 O     0.00000   -0.01116   -1.40586
  6 O     0.00000   -0.00276    1.76888
  7 Pt   -0.00000    0.01364    0.44954
  8 Pt    0.00000   -0.04116    0.79012
  9 O    -1.58133    0.00085    0.04850
 10 O     1.58133    0.00085    0.04850
 11 O     0.00000   -0.00878   -0.56076
 12 O    -0.00000    0.00956    0.05620
 13 Pt   -0.00000    0.06206   -0.01220
 14 Pt    0.00000   -0.02197   -0.00066
 15 O    -0.00030    0.00987    0.00280
 16 O     0.00030    0.00987    0.00280
 17 O    -0.00000    0.00709   -0.24271
 18 O     0.00000    0.00016    0.01781
 19 Pt    0.00000   -0.04225   -0.00779
 20 Pt    0.00000   -0.04827    0.06524
 21 O    -0.09896    0.16375    0.10184
 22 O     0.09896    0.16375    0.10184
 23 O     0.00000   -0.01666   -0.01183
 24 O     0.00000    0.00009    1.15139
 25 Pt   -0.00000    0.00797   -0.38281
 26 Pt    0.00000   -0.00010   -0.43489
 27 O    -1.69190    0.01371   -0.71891
 28 O     1.69190    0.01371   -0.71891
 29 O    -0.00000    0.05598   -1.38612
 30 O     0.00000   -0.00499    1.83073
 31 Pt   -0.00000    0.01950    0.50967
 32 Pt    0.00000   -0.17677    0.55038
 33 O    -1.61397   -0.01938    0.06751
 34 O     1.61397   -0.01938    0.06751
 35 O     0.00000   -0.03261   -0.52196
 36 O    -0.00000    0.08282   -0.06497
 37 Pt    0.00000   -0.09129   -0.02063
 38 Pt    0.00000   -0.00359   -0.01140
 39 O     0.00978    0.01317    0.01519
 40 O    -0.00978    0.01317    0.01519
 41 O     0.00000    0.00830   -0.01186
 42 O    -0.00000    0.02001   -0.00927
 43 Pt   -0.00000    0.01172   -0.00602
 44 Pt    0.00000   -0.01589    0.00037
 45 O    -0.09002   -0.15424    0.10500
 46 O     0.09002   -0.15424    0.10500
 47 O     0.00000   -0.02715   -0.01559
 48 O    -0.00000    0.02141    1.17337
 49 Pt    0.00000   -0.02284   -0.38440
 50 Pt   -0.00000    0.02112   -0.43677
 51 O    -1.69046   -0.01392   -0.71975
 52 O     1.69046   -0.01392   -0.71975
 53 O     0.00000   -0.02186   -1.40241
 54 O     0.00000   -0.00147    1.77373
 55 Pt    0.00000   -0.01205    0.51338
 56 Pt   -0.00000    0.15837    0.62681
 57 O    -1.61271    0.01375    0.09576
 58 O     1.61271    0.01375    0.09576
 59 O     0.00000   -0.02125   -0.51355
 60 O     0.00000   -0.07861   -0.06532
 61 Pt   -0.00000    0.01165   -0.02090
 62 Pt   -0.00000    0.01817   -0.00516
 63 O    -0.00450   -0.00812    0.00167
 64 O     0.00450   -0.00812    0.00167
 65 O     0.00000   -0.00604   -0.00458
 66 O     0.00000    0.00358    0.00269
 67 Pt   -0.00000    0.00682    0.00562
 68 Pt   -0.00000    0.09573   -0.02881
 69 O    -0.00506   -0.00539   -0.00386
 70 O     0.00506   -0.00539   -0.00386
 71 O    -0.00000    0.00925   -0.01176
 72 N     0.00000   -0.04291    0.03382
 73 N    -0.00000    0.03140   -0.15048

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    2.197085   24.439356    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.769179   23.422927    ( 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  11:30:55  -3.43   +inf  -414.286991    3      1      
iter:   2  11:33:00  -3.69  -3.05  -414.641212    3      1      
iter:   3  11:35:06  -3.92  -2.33  -414.281203    3      1      
iter:   4  11:37:11  -4.64  -3.66  -414.277911    3      1      
iter:   5  11:39:16  -5.14  -4.02  -414.277901    2      1      
iter:   6  11:41:18  -5.23  -4.08  -414.277511    3      1      
iter:   7  11:43:21  -5.74  -4.04  -414.277607    2      1      
iter:   8  11:45:24  -5.98  -4.50  -414.277700    2      1      
iter:   9  11:47:27  -6.17  -4.52  -414.277360    2      1      
iter:  10  11:49:29  -6.56  -4.40  -414.278127    2      1      
iter:  11  11:51:32  -6.59  -4.40  -414.277588    2      1      
iter:  12  11:53:35  -7.16  -4.93  -414.277621    2      1      
iter:  13  11:55:40  -7.47  -5.09  -414.277653    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961261, -32.951818, 0.275413) |e|*Ang

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

Kinetic:        +19.451675
Potential:     -137.442013
External:        +0.000000
XC:            -306.042033
Entropy (-ST):   -1.549886
Local:          +10.529661
--------------------------
Free energy:   -415.052596
Extrapolated:  -414.277653

Fermi level: -6.30446

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38724    0.15464
  0   340     -6.36027    0.14134
  0   341     -6.35844    0.14039
  0   342     -6.32556    0.12279

  1   339     -6.28213    0.19751
  1   340     -6.23162    0.14469
  1   341     -6.19225    0.10916
  1   342     -6.18972    0.10709



Forces in eV/Ang:
  0 O     0.00000   -0.01749    1.17350
  1 Pt   -0.00000    0.00629   -0.37912
  2 Pt    0.00000   -0.01912   -0.43588
  3 O    -1.68295   -0.00015   -0.71900
  4 O     1.68295   -0.00015   -0.71900
  5 O     0.00000   -0.01119   -1.40398
  6 O     0.00000   -0.00276    1.77279
  7 Pt   -0.00000    0.01376    0.45171
  8 Pt    0.00000   -0.04107    0.79057
  9 O    -1.58119    0.00087    0.05013
 10 O     1.58119    0.00087    0.05013
 11 O     0.00000   -0.00876   -0.55943
 12 O    -0.00000    0.00966    0.05978
 13 Pt   -0.00000    0.06664   -0.01189
 14 Pt    0.00000   -0.02196   -0.00038
 15 O    -0.00038    0.00990    0.00338
 16 O     0.00038    0.00990    0.00338
 17 O    -0.00000    0.01051   -0.25619
 18 O     0.00000    0.00024    0.01787
 19 Pt    0.00000   -0.04301   -0.00675
 20 Pt    0.00000   -0.05502    0.07407
 21 O    -0.10188    0.16943    0.10511
 22 O     0.10188    0.16943    0.10511
 23 O     0.00000   -0.01663   -0.01278
 24 O     0.00000    0.00010    1.15103
 25 Pt   -0.00000    0.00832   -0.38175
 26 Pt    0.00000   -0.00007   -0.43419
 27 O    -1.69144    0.01375   -0.71838
 28 O     1.69144    0.01375   -0.71838
 29 O    -0.00000    0.05562   -1.38480
 30 O     0.00000   -0.00512    1.83456
 31 Pt   -0.00000    0.01940    0.51187
 32 Pt    0.00000   -0.17588    0.55314
 33 O    -1.61385   -0.01943    0.06914
 34 O     1.61385   -0.01943    0.06914
 35 O     0.00000   -0.03268   -0.52028
 36 O    -0.00000    0.08602   -0.06511
 37 Pt    0.00000   -0.09678   -0.02039
 38 Pt    0.00000   -0.00337   -0.01119
 39 O     0.00971    0.01312    0.01588
 40 O    -0.00971    0.01312    0.01588
 41 O     0.00000    0.00869   -0.01160
 42 O    -0.00000    0.01993   -0.00914
 43 Pt   -0.00000    0.01233   -0.00414
 44 Pt    0.00000   -0.01891    0.00193
 45 O    -0.09457   -0.16204    0.11190
 46 O     0.09457   -0.16204    0.11190
 47 O     0.00000   -0.02686   -0.01633
 48 O    -0.00000    0.02143    1.17302
 49 Pt    0.00000   -0.02283   -0.38337
 50 Pt   -0.00000    0.02111   -0.43609
 51 O    -1.69006   -0.01393   -0.71922
 52 O     1.69006   -0.01393   -0.71922
 53 O     0.00000   -0.02153   -1.40120
 54 O     0.00000   -0.00133    1.77746
 55 Pt    0.00000   -0.01207    0.51575
 56 Pt   -0.00000    0.15750    0.62962
 57 O    -1.61251    0.01374    0.09727
 58 O     1.61251    0.01374    0.09727
 59 O     0.00000   -0.02120   -0.51179
 60 O     0.00000   -0.08178   -0.06534
 61 Pt   -0.00000    0.01169   -0.02225
 62 Pt   -0.00000    0.01797   -0.00495
 63 O    -0.00499   -0.00812    0.00239
 64 O     0.00499   -0.00812    0.00239
 65 O     0.00000   -0.00644   -0.00458
 66 O     0.00000    0.00349    0.00276
 67 Pt   -0.00000    0.00688    0.00577
 68 Pt   -0.00000    0.09809   -0.02817
 69 O    -0.00485   -0.00540   -0.00320
 70 O     0.00485   -0.00540   -0.00320
 71 O    -0.00000    0.00910   -0.01245
 72 N    -0.00000    0.10864    0.26367
 73 N     0.00000   -0.01654   -0.38647

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    2.201173   24.445425    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.767176   23.431452    ( 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  12:20:04  -3.58   +inf  -414.274524    3      1      
iter:   2  12:22:07  -4.31  -3.58  -414.291844    3      1      
iter:   3  12:24:10  -4.70  -3.10  -414.281027    3      1      
iter:   4  12:26:12  -5.13  -3.45  -414.277076    3      1      
iter:   5  12:28:15  -5.35  -3.90  -414.277002    3      1      
iter:   6  12:30:19  -5.43  -4.15  -414.277000    3      1      
iter:   7  12:32:23  -5.87  -4.45  -414.276801    2      1      
iter:   8  12:34:28  -6.20  -4.61  -414.276918    2      1      
iter:   9  12:36:32  -6.39  -4.46  -414.276645    2      1      
iter:  10  12:38:35  -6.80  -4.47  -414.276598    2      1      
iter:  11  12:40:38  -7.11  -4.64  -414.276790    2      1      
iter:  12  12:42:41  -7.41  -4.57  -414.276698    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961338, -32.947533, 0.272672) |e|*Ang

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

Kinetic:        +19.365241
Potential:     -137.381774
External:        +0.000000
XC:            -306.014647
Entropy (-ST):   -1.550338
Local:          +10.529650
--------------------------
Free energy:   -415.051867
Extrapolated:  -414.276698

Fermi level: -6.30678

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.38951    0.15462
  0   340     -6.36252    0.14130
  0   341     -6.36068    0.14035
  0   342     -6.32808    0.12290

  1   339     -6.28445    0.19751
  1   340     -6.23385    0.14460
  1   341     -6.19467    0.10925
  1   342     -6.19197    0.10703



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17342
  1 Pt   -0.00000    0.00603   -0.37886
  2 Pt    0.00000   -0.01911   -0.43548
  3 O    -1.68295   -0.00012   -0.71880
  4 O     1.68295   -0.00012   -0.71880
  5 O     0.00000   -0.01117   -1.40390
  6 O     0.00000   -0.00272    1.77155
  7 Pt   -0.00000    0.01366    0.45090
  8 Pt    0.00000   -0.04101    0.78935
  9 O    -1.58133    0.00077    0.04983
 10 O     1.58133    0.00077    0.04983
 11 O     0.00000   -0.00873   -0.56061
 12 O    -0.00000    0.00974    0.06135
 13 Pt   -0.00000    0.07055   -0.01295
 14 Pt    0.00000   -0.02204   -0.00042
 15 O     0.00007    0.00988    0.00331
 16 O    -0.00007    0.00988    0.00331
 17 O    -0.00000    0.01263   -0.27088
 18 O     0.00000    0.00013    0.01797
 19 Pt    0.00000   -0.04283   -0.00514
 20 Pt    0.00000   -0.05920    0.07351
 21 O    -0.10416    0.17436    0.10794
 22 O     0.10416    0.17436    0.10794
 23 O     0.00000   -0.01627   -0.01149
 24 O     0.00000    0.00005    1.15091
 25 Pt   -0.00000    0.00858   -0.38147
 26 Pt    0.00000   -0.00014   -0.43371
 27 O    -1.69145    0.01372   -0.71819
 28 O     1.69145    0.01372   -0.71819
 29 O    -0.00000    0.05542   -1.38517
 30 O     0.00000   -0.00517    1.83382
 31 Pt   -0.00000    0.01949    0.51101
 32 Pt    0.00000   -0.17508    0.55326
 33 O    -1.61399   -0.01932    0.06883
 34 O     1.61399   -0.01932    0.06883
 35 O     0.00000   -0.03275   -0.52134
 36 O    -0.00000    0.08908   -0.06749
 37 Pt    0.00000   -0.10106   -0.02153
 38 Pt    0.00000   -0.00339   -0.01167
 39 O     0.01019    0.01315    0.01580
 40 O    -0.01019    0.01315    0.01580
 41 O     0.00000    0.00858   -0.01308
 42 O    -0.00000    0.01980   -0.00922
 43 Pt   -0.00000    0.01215   -0.00135
 44 Pt    0.00000   -0.02238    0.00482
 45 O    -0.09787   -0.16775    0.11766
 46 O     0.09787   -0.16775    0.11766
 47 O     0.00000   -0.02762   -0.01548
 48 O    -0.00000    0.02147    1.17289
 49 Pt    0.00000   -0.02283   -0.38294
 50 Pt   -0.00000    0.02117   -0.43562
 51 O    -1.69004   -0.01393   -0.71900
 52 O     1.69004   -0.01393   -0.71900
 53 O     0.00000   -0.02136   -1.40158
 54 O     0.00000   -0.00133    1.77678
 55 Pt    0.00000   -0.01206    0.51501
 56 Pt   -0.00000    0.15669    0.62979
 57 O    -1.61273    0.01373    0.09671
 58 O     1.61273    0.01373    0.09671
 59 O     0.00000   -0.02116   -0.51282
 60 O     0.00000   -0.08478   -0.06770
 61 Pt   -0.00000    0.01167   -0.02459
 62 Pt   -0.00000    0.01806   -0.00549
 63 O    -0.00503   -0.00813    0.00225
 64 O     0.00503   -0.00813    0.00225
 65 O     0.00000   -0.00632   -0.00641
 66 O     0.00000    0.00377    0.00261
 67 Pt   -0.00000    0.00677    0.00537
 68 Pt   -0.00000    0.10108   -0.02660
 69 O    -0.00448   -0.00550   -0.00397
 70 O     0.00448   -0.00550   -0.00397
 71 O    -0.00000    0.00961   -0.01176
 72 N    -0.00000    0.06950    0.26027
 73 N     0.00000   -0.03851   -0.30564

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    2.204503   24.452264    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.764755   23.440802    ( 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  13:01:56  -3.53   +inf  -414.277837    3      1      
iter:   2  13:04:00  -4.13  -3.36  -414.350979    3      1      
iter:   3  13:06:04  -4.40  -2.67  -414.276931    2      1      
iter:   4  13:08:07  -5.06  -3.83  -414.275842    2      1      
iter:   5  13:10:09  -5.37  -3.90  -414.276705    3      1      
iter:   6  13:12:11  -5.41  -4.06  -414.276189    3      1      
iter:   7  13:14:15  -5.85  -4.38  -414.276056    2      1      
iter:   8  13:16:19  -6.11  -4.57  -414.276019    2      1      
iter:   9  13:18:24  -6.53  -4.42  -414.275894    2      1      
iter:  10  13:20:28  -6.81  -4.48  -414.276151    2      1      
iter:  11  13:22:32  -6.88  -4.66  -414.275773    2      1      
iter:  12  13:24:35  -7.31  -4.73  -414.275957    2      1      
iter:  13  13:26:38  -7.48  -5.04  -414.276001    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961322, -32.943082, 0.269969) |e|*Ang

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

Kinetic:        +19.372249
Potential:     -137.406696
External:        +0.000000
XC:            -305.995981
Entropy (-ST):   -1.550529
Local:          +10.529692
--------------------------
Free energy:   -415.051265
Extrapolated:  -414.276001

Fermi level: -6.30917

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39183    0.15458
  0   340     -6.36488    0.14128
  0   341     -6.36306    0.14034
  0   342     -6.33060    0.12297

  1   339     -6.28669    0.19735
  1   340     -6.23624    0.14459
  1   341     -6.19716    0.10933
  1   342     -6.19419    0.10689



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17353
  1 Pt   -0.00000    0.00576   -0.37941
  2 Pt    0.00000   -0.01913   -0.43605
  3 O    -1.68343   -0.00017   -0.71906
  4 O     1.68343   -0.00017   -0.71906
  5 O     0.00000   -0.01120   -1.40348
  6 O     0.00000   -0.00275    1.77026
  7 Pt   -0.00000    0.01381    0.45041
  8 Pt    0.00000   -0.04098    0.78789
  9 O    -1.58122    0.00084    0.04963
 10 O     1.58122    0.00084    0.04963
 11 O     0.00000   -0.00876   -0.56053
 12 O    -0.00000    0.00990    0.06329
 13 Pt   -0.00000    0.07392   -0.01345
 14 Pt    0.00000   -0.02197   -0.00061
 15 O     0.00007    0.00988    0.00330
 16 O    -0.00007    0.00988    0.00330
 17 O    -0.00000    0.01481   -0.28281
 18 O     0.00000    0.00017    0.01828
 19 Pt    0.00000   -0.04305   -0.00371
 20 Pt    0.00000   -0.06468    0.06842
 21 O    -0.10783    0.18033    0.10940
 22 O     0.10783    0.18033    0.10940
 23 O     0.00000   -0.01653   -0.01341
 24 O     0.00000    0.00007    1.15098
 25 Pt   -0.00000    0.00885   -0.38203
 26 Pt    0.00000   -0.00004   -0.43447
 27 O    -1.69191    0.01376   -0.71845
 28 O     1.69191    0.01376   -0.71845
 29 O    -0.00000    0.05517   -1.38564
 30 O     0.00000   -0.00517    1.83198
 31 Pt   -0.00000    0.01937    0.51060
 32 Pt    0.00000   -0.17443    0.55372
 33 O    -1.61387   -0.01939    0.06862
 34 O     1.61387   -0.01939    0.06862
 35 O     0.00000   -0.03270   -0.52107
 36 O    -0.00000    0.09216   -0.06881
 37 Pt    0.00000   -0.10490   -0.02219
 38 Pt    0.00000   -0.00329   -0.01175
 39 O     0.01010    0.01317    0.01578
 40 O    -0.01010    0.01317    0.01578
 41 O     0.00000    0.00837   -0.01288
 42 O    -0.00000    0.02021   -0.00928
 43 Pt   -0.00000    0.01228   -0.00036
 44 Pt    0.00000   -0.02392    0.00393
 45 O    -0.10200   -0.17477    0.12040
 46 O     0.10200   -0.17477    0.12040
 47 O     0.00000   -0.02680   -0.01642
 48 O    -0.00000    0.02144    1.17297
 49 Pt    0.00000   -0.02283   -0.38352
 50 Pt   -0.00000    0.02109   -0.43639
 51 O    -1.69062   -0.01391   -0.71924
 52 O     1.69062   -0.01391   -0.71924
 53 O     0.00000   -0.02112   -1.40207
 54 O     0.00000   -0.00130    1.77479
 55 Pt    0.00000   -0.01207    0.51457
 56 Pt   -0.00000    0.15608    0.63017
 57 O    -1.61255    0.01372    0.09638
 58 O     1.61255    0.01372    0.09638
 59 O     0.00000   -0.02118   -0.51259
 60 O     0.00000   -0.08797   -0.06900
 61 Pt   -0.00000    0.01172   -0.02631
 62 Pt   -0.00000    0.01791   -0.00544
 63 O    -0.00545   -0.00813    0.00224
 64 O     0.00545   -0.00813    0.00224
 65 O     0.00000   -0.00618   -0.00619
 66 O     0.00000    0.00326    0.00262
 67 Pt   -0.00000    0.00686    0.00649
 68 Pt   -0.00000    0.10289   -0.02638
 69 O    -0.00486   -0.00547   -0.00504
 70 O     0.00486   -0.00547   -0.00504
 71 O    -0.00000    0.00904   -0.01241
 72 N    -0.00000    0.01659    0.23020
 73 N     0.00000   -0.01685   -0.32715

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    2.207273   24.459263    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.765062   23.448543    ( 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  13:46:14  -3.65   +inf  -414.276614    3      1      
iter:   2  13:48:20  -4.06  -3.23  -414.413180    3      1      
iter:   3  13:50:25  -4.32  -2.55  -414.280718    2      1      
iter:   4  13:52:30  -4.94  -3.48  -414.275250    3      1      
iter:   5  13:54:34  -5.40  -4.04  -414.275124    3      1      
iter:   6  13:56:36  -5.55  -3.96  -414.275002    3      1      
iter:   7  13:58:38  -5.95  -4.42  -414.274873    2      1      
iter:   8  14:00:40  -6.19  -4.45  -414.274828    2      1      
iter:   9  14:02:44  -6.50  -4.71  -414.274657    2      1      
iter:  10  14:04:49  -6.91  -4.79  -414.275028    2      1      
iter:  11  14:06:53  -6.95  -4.56  -414.274700    2      1      
iter:  12  14:08:57  -7.44  -4.68  -414.274667    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961372, -32.939339, 0.266844) |e|*Ang

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

Kinetic:        +19.263188
Potential:     -137.327390
External:        +0.000000
XC:            -305.964942
Entropy (-ST):   -1.551048
Local:          +10.530001
--------------------------
Free energy:   -415.050191
Extrapolated:  -414.274667

Fermi level: -6.31068

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39264    0.15426
  0   340     -6.36689    0.14154
  0   341     -6.36509    0.14061
  0   342     -6.33200    0.12291

  1   339     -6.28854    0.19772
  1   340     -6.23801    0.14485
  1   341     -6.19880    0.10944
  1   342     -6.19551    0.10675



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17297
  1 Pt   -0.00000    0.00559   -0.37768
  2 Pt    0.00000   -0.01911   -0.43466
  3 O    -1.68010   -0.00007   -0.71893
  4 O     1.68010   -0.00007   -0.71893
  5 O     0.00000   -0.01120   -1.40357
  6 O     0.00000   -0.00272    1.78155
  7 Pt   -0.00000    0.01372    0.45409
  8 Pt    0.00000   -0.04101    0.78997
  9 O    -1.58122    0.00067    0.05059
 10 O     1.58122    0.00067    0.05059
 11 O     0.00000   -0.00876   -0.56029
 12 O    -0.00000    0.00983    0.06544
 13 Pt   -0.00000    0.07691   -0.01230
 14 Pt    0.00000   -0.02202    0.00155
 15 O    -0.00046    0.01007    0.00370
 16 O     0.00046    0.01007    0.00370
 17 O    -0.00000    0.01479   -0.29333
 18 O     0.00000    0.00008    0.01778
 19 Pt    0.00000   -0.04224   -0.00179
 20 Pt    0.00000   -0.06387    0.06833
 21 O    -0.11037    0.18507    0.11324
 22 O     0.11037    0.18507    0.11324
 23 O     0.00000   -0.01623   -0.01363
 24 O     0.00000   -0.00002    1.15035
 25 Pt   -0.00000    0.00904   -0.38029
 26 Pt    0.00000   -0.00018   -0.43289
 27 O    -1.68861    0.01368   -0.71831
 28 O     1.68861    0.01368   -0.71831
 29 O    -0.00000    0.05501   -1.38587
 30 O     0.00000   -0.00502    1.84410
 31 Pt   -0.00000    0.01943    0.51422
 32 Pt    0.00000   -0.17354    0.55670
 33 O    -1.61386   -0.01924    0.06957
 34 O     1.61386   -0.01924    0.06957
 35 O     0.00000   -0.03269   -0.52086
 36 O    -0.00000    0.09491   -0.06982
 37 Pt    0.00000   -0.10783   -0.02101
 38 Pt    0.00000   -0.00354   -0.01009
 39 O     0.00965    0.01296    0.01627
 40 O    -0.00965    0.01296    0.01627
 41 O     0.00000    0.00890   -0.00504
 42 O    -0.00000    0.02025   -0.01031
 43 Pt   -0.00000    0.01159    0.00205
 44 Pt    0.00000   -0.02648    0.00703
 45 O    -0.10465   -0.17938    0.12496
 46 O     0.10465   -0.17938    0.12496
 47 O     0.00000   -0.02766   -0.01627
 48 O    -0.00000    0.02154    1.17233
 49 Pt    0.00000   -0.02284   -0.38156
 50 Pt   -0.00000    0.02121   -0.43478
 51 O    -1.68721   -0.01394   -0.71910
 52 O     1.68721   -0.01394   -0.71910
 53 O     0.00000   -0.02097   -1.40228
 54 O     0.00000   -0.00145    1.78708
 55 Pt    0.00000   -0.01205    0.51828
 56 Pt   -0.00000    0.15522    0.63320
 57 O    -1.61267    0.01375    0.09713
 58 O     1.61267    0.01375    0.09713
 59 O     0.00000   -0.02120   -0.51234
 60 O     0.00000   -0.09054   -0.06999
 61 Pt   -0.00000    0.01168   -0.02516
 62 Pt   -0.00000    0.01821   -0.00385
 63 O    -0.00593   -0.00815    0.00254
 64 O     0.00593   -0.00815    0.00254
 65 O     0.00000   -0.00659    0.00131
 66 O     0.00000    0.00334    0.00149
 67 Pt   -0.00000    0.00671    0.00649
 68 Pt   -0.00000    0.10522   -0.02390
 69 O    -0.00586   -0.00555   -0.00501
 70 O     0.00586   -0.00555   -0.00501
 71 O    -0.00000    0.00972   -0.01241
 72 N     0.00000   -0.03191    0.14818
 73 N    -0.00000    0.03260   -0.33557

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    2.210137   24.466490    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.766355   23.455986    ( 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  14:30:35  -3.55   +inf  -414.482490    3      1      
iter:   2  14:32:38  -2.61  -2.45  -419.681095    4      1      
iter:   3  14:34:43  -3.02  -1.78  -414.352877    4      1      
iter:   4  14:36:47  -3.41  -2.67  -414.282673    3      1      
iter:   5  14:38:48  -4.05  -3.41  -414.276465    3      1      
iter:   6  14:40:52  -4.44  -3.64  -414.274648    3      1      
iter:   7  14:42:56  -4.90  -3.88  -414.274333    2      1      
iter:   8  14:44:59  -5.41  -4.26  -414.274405    3      1      
iter:   9  14:47:01  -5.69  -4.16  -414.274187    3      1      
iter:  10  14:49:04  -6.10  -4.28  -414.273988    2      1      
iter:  11  14:51:06  -6.45  -4.64  -414.274070    2      1      
iter:  12  14:53:10  -6.77  -4.69  -414.273765    2      1      
iter:  13  14:55:13  -6.84  -4.53  -414.273882    2      1      
iter:  14  14:57:18  -7.26  -4.46  -414.273965    2      1      
iter:  15  14:59:22  -7.60  -4.89  -414.273940    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961310, -32.935047, 0.265464) |e|*Ang

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

Kinetic:        +19.212885
Potential:     -137.304675
External:        +0.000000
XC:            -305.935067
Entropy (-ST):   -1.551071
Local:          +10.528453
--------------------------
Free energy:   -415.049475
Extrapolated:  -414.273940

Fermi level: -6.31262

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39492    0.15441
  0   340     -6.36840    0.14132
  0   341     -6.36660    0.14039
  0   342     -6.33417    0.12303

  1   339     -6.29016    0.19737
  1   340     -6.23973    0.14463
  1   341     -6.20072    0.10942
  1   342     -6.19744    0.10673



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17308
  1 Pt   -0.00000    0.00540   -0.37899
  2 Pt    0.00000   -0.01911   -0.43559
  3 O    -1.68264   -0.00009   -0.71912
  4 O     1.68264   -0.00009   -0.71912
  5 O     0.00000   -0.01118   -1.40340
  6 O     0.00000   -0.00275    1.77188
  7 Pt   -0.00000    0.01386    0.45095
  8 Pt    0.00000   -0.04105    0.78755
  9 O    -1.58150    0.00075    0.04999
 10 O     1.58150    0.00075    0.04999
 11 O     0.00000   -0.00875   -0.56079
 12 O    -0.00000    0.00981    0.06569
 13 Pt   -0.00000    0.07973   -0.01470
 14 Pt    0.00000   -0.02194   -0.00009
 15 O    -0.00003    0.01017    0.00353
 16 O     0.00003    0.01017    0.00353
 17 O    -0.00000    0.01412   -0.30401
 18 O     0.00000    0.00011    0.01887
 19 Pt    0.00000   -0.04200   -0.00156
 20 Pt    0.00000   -0.06256    0.06543
 21 O    -0.11188    0.18865    0.11552
 22 O     0.11188    0.18865    0.11552
 23 O     0.00000   -0.01644   -0.01549
 24 O     0.00000   -0.00001    1.15046
 25 Pt   -0.00000    0.00922   -0.38161
 26 Pt    0.00000   -0.00012   -0.43390
 27 O    -1.69114    0.01367   -0.71851
 28 O     1.69114    0.01367   -0.71851
 29 O    -0.00000    0.05491   -1.38641
 30 O     0.00000   -0.00495    1.83405
 31 Pt   -0.00000    0.01929    0.51109
 32 Pt    0.00000   -0.17304    0.55570
 33 O    -1.61412   -0.01932    0.06897
 34 O     1.61412   -0.01932    0.06897
 35 O     0.00000   -0.03263   -0.52139
 36 O    -0.00000    0.09699   -0.07202
 37 Pt    0.00000   -0.11049   -0.02343
 38 Pt    0.00000   -0.00358   -0.01160
 39 O     0.01004    0.01285    0.01600
 40 O    -0.01004    0.01285    0.01600
 41 O     0.00000    0.00842   -0.01017
 42 O    -0.00000    0.02072   -0.00960
 43 Pt   -0.00000    0.01136    0.00138
 44 Pt    0.00000   -0.02643    0.00536
 45 O    -0.10587   -0.18295    0.12645
 46 O     0.10587   -0.18295    0.12645
 47 O     0.00000   -0.02692   -0.01706
 48 O    -0.00000    0.02150    1.17244
 49 Pt    0.00000   -0.02284   -0.38285
 50 Pt   -0.00000    0.02114   -0.43580
 51 O    -1.68982   -0.01392   -0.71927
 52 O     1.68982   -0.01392   -0.71927
 53 O     0.00000   -0.02088   -1.40277
 54 O     0.00000   -0.00152    1.77701
 55 Pt    0.00000   -0.01205    0.51501
 56 Pt   -0.00000    0.15474    0.63206
 57 O    -1.61286    0.01375    0.09633
 58 O     1.61286    0.01375    0.09633
 59 O     0.00000   -0.02126   -0.51291
 60 O     0.00000   -0.09261   -0.07208
 61 Pt   -0.00000    0.01168   -0.02841
 62 Pt   -0.00000    0.01818   -0.00535
 63 O    -0.00571   -0.00813    0.00227
 64 O     0.00571   -0.00813    0.00227
 65 O     0.00000   -0.00610   -0.00352
 66 O     0.00000    0.00282    0.00222
 67 Pt   -0.00000    0.00674    0.00646
 68 Pt   -0.00000    0.10534   -0.02452
 69 O    -0.00574   -0.00548   -0.00541
 70 O     0.00574   -0.00548   -0.00541
 71 O    -0.00000    0.00922   -0.01300
 72 N     0.00000   -0.01395    0.15700
 73 N    -0.00000    0.06754   -0.20930

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    2.212659   24.474382    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.768975   23.463024    ( 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  15:15:03  -3.61   +inf  -414.277363    3      1      
iter:   2  15:17:07  -4.01  -3.22  -414.450836    3      1      
iter:   3  15:19:09  -4.26  -2.49  -414.278035    3      1      
iter:   4  15:21:12  -4.95  -3.65  -414.274895    3      1      
iter:   5  15:23:15  -5.23  -3.90  -414.274483    3      1      
iter:   6  15:25:20  -5.50  -4.31  -414.274707    3      1      
iter:   7  15:27:24  -5.73  -4.09  -414.274374    2      1      
iter:   8  15:29:29  -6.25  -4.54  -414.274402    2      1      
iter:   9  15:31:33  -6.44  -4.51  -414.274212    2      1      
iter:  10  15:33:37  -6.56  -4.72  -414.274434    2      1      
iter:  11  15:35:34  -7.11  -4.65  -414.274217    2      1      
iter:  12  15:37:34  -7.41  -4.77  -414.274302    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961439, -32.930761, 0.263821) |e|*Ang

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

Kinetic:        +19.033397
Potential:     -137.165437
External:        +0.000000
XC:            -305.894110
Entropy (-ST):   -1.551355
Local:          +10.527525
--------------------------
Free energy:   -415.049979
Extrapolated:  -414.274302

Fermi level: -6.31440

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39684    0.15448
  0   340     -6.36998    0.14121
  0   341     -6.36816    0.14028
  0   342     -6.33623    0.12319

  1   339     -6.29186    0.19728
  1   340     -6.24132    0.14445
  1   341     -6.20260    0.10950
  1   342     -6.19919    0.10671



Forces in eV/Ang:
  0 O     0.00000   -0.01749    1.17338
  1 Pt   -0.00000    0.00522   -0.37914
  2 Pt    0.00000   -0.01911   -0.43577
  3 O    -1.68384   -0.00011   -0.71895
  4 O     1.68384   -0.00011   -0.71895
  5 O     0.00000   -0.01116   -1.40253
  6 O     0.00000   -0.00273    1.76906
  7 Pt   -0.00000    0.01386    0.44979
  8 Pt    0.00000   -0.04107    0.78557
  9 O    -1.58145    0.00072    0.04944
 10 O     1.58145    0.00072    0.04944
 11 O     0.00000   -0.00874   -0.56187
 12 O    -0.00000    0.00969    0.06702
 13 Pt   -0.00000    0.08266   -0.01583
 14 Pt    0.00000   -0.02194   -0.00080
 15 O     0.00044    0.01006    0.00338
 16 O    -0.00044    0.01006    0.00338
 17 O    -0.00000    0.01248   -0.31397
 18 O     0.00000    0.00010    0.01895
 19 Pt    0.00000   -0.04222    0.00021
 20 Pt    0.00000   -0.05787    0.06790
 21 O    -0.11387    0.19207    0.11925
 22 O     0.11387    0.19207    0.11925
 23 O     0.00000   -0.01627   -0.01402
 24 O     0.00000   -0.00000    1.15070
 25 Pt   -0.00000    0.00940   -0.38175
 26 Pt    0.00000   -0.00013   -0.43413
 27 O    -1.69233    0.01370   -0.71834
 28 O     1.69233    0.01370   -0.71834
 29 O    -0.00000    0.05476   -1.38589
 30 O     0.00000   -0.00504    1.83127
 31 Pt   -0.00000    0.01929    0.50991
 32 Pt    0.00000   -0.17262    0.55484
 33 O    -1.61409   -0.01927    0.06844
 34 O     1.61409   -0.01927    0.06844
 35 O     0.00000   -0.03271   -0.52228
 36 O    -0.00000    0.09859   -0.07286
 37 Pt    0.00000   -0.11305   -0.02451
 38 Pt    0.00000   -0.00344   -0.01222
 39 O     0.01055    0.01295    0.01585
 40 O    -0.01055    0.01295    0.01585
 41 O     0.00000    0.00855   -0.01516
 42 O    -0.00000    0.02084   -0.00959
 43 Pt   -0.00000    0.01163    0.00308
 44 Pt    0.00000   -0.02856    0.00624
 45 O    -0.10753   -0.18589    0.12953
 46 O     0.10753   -0.18589    0.12953
 47 O     0.00000   -0.02715   -0.01600
 48 O    -0.00000    0.02153    1.17268
 49 Pt    0.00000   -0.02284   -0.38299
 50 Pt   -0.00000    0.02116   -0.43604
 51 O    -1.69102   -0.01392   -0.71910
 52 O     1.69102   -0.01392   -0.71910
 53 O     0.00000   -0.02072   -1.40220
 54 O     0.00000   -0.00145    1.77421
 55 Pt    0.00000   -0.01206    0.51395
 56 Pt   -0.00000    0.15430    0.63116
 57 O    -1.61284    0.01373    0.09572
 58 O     1.61284    0.01373    0.09572
 59 O     0.00000   -0.02119   -0.51377
 60 O     0.00000   -0.09403   -0.07279
 61 Pt   -0.00000    0.01165   -0.03051
 62 Pt   -0.00000    0.01804   -0.00600
 63 O    -0.00555   -0.00813    0.00223
 64 O     0.00555   -0.00813    0.00223
 65 O     0.00000   -0.00608   -0.00836
 66 O     0.00000    0.00271    0.00218
 67 Pt   -0.00000    0.00669    0.00632
 68 Pt   -0.00000    0.10699   -0.02414
 69 O    -0.00459   -0.00544   -0.00511
 70 O     0.00459   -0.00544   -0.00511
 71 O    -0.00000    0.00934   -0.01220
 72 N     0.00000   -0.03518    0.10975
 73 N    -0.00000    0.05046   -0.10587

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    2.215138   24.482772    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.770803   23.470447    ( 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  16:01:48  -3.57   +inf  -414.290805    3      1      
iter:   2  16:03:50  -3.61  -2.96  -414.814662    3      1      
iter:   3  16:05:56  -3.83  -2.25  -414.278910    3      1      
iter:   4  16:07:59  -4.61  -3.64  -414.274989    3      1      
iter:   5  16:10:07  -5.11  -3.97  -414.275476    3      1      
iter:   6  16:12:13  -5.32  -3.87  -414.274550    3      1      
iter:   7  16:14:19  -5.54  -4.17  -414.274419    3      1      
iter:   8  16:16:24  -5.93  -4.27  -414.274370    2      1      
iter:   9  16:18:27  -6.34  -4.58  -414.274144    2      1      
iter:  10  16:20:30  -6.81  -4.38  -414.274476    2      1      
iter:  11  16:22:33  -6.71  -4.55  -414.274074    2      1      
iter:  12  16:24:37  -7.06  -4.49  -414.274271    2      1      
iter:  13  16:26:42  -7.18  -4.79  -414.274265    2      1      
iter:  14  16:28:46  -7.35  -5.05  -414.274285    2      1      
iter:  15  16:30:50  -7.57  -4.96  -414.274286    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961369, -32.926212, 0.261383) |e|*Ang

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

Kinetic:        +18.918611
Potential:     -137.096993
External:        +0.000000
XC:            -305.845504
Entropy (-ST):   -1.551398
Local:          +10.525299
--------------------------
Free energy:   -415.049985
Extrapolated:  -414.274286

Fermi level: -6.31624

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39832    0.15431
  0   340     -6.37192    0.14127
  0   341     -6.37013    0.14035
  0   342     -6.33806    0.12319

  1   339     -6.29365    0.19723
  1   340     -6.24325    0.14454
  1   341     -6.20449    0.10954
  1   342     -6.20086    0.10658



Forces in eV/Ang:
  0 O     0.00000   -0.01748    1.17376
  1 Pt   -0.00000    0.00508   -0.37893
  2 Pt    0.00000   -0.01910   -0.43621
  3 O    -1.68356   -0.00006   -0.71918
  4 O     1.68356   -0.00006   -0.71918
  5 O     0.00000   -0.01118   -1.40258
  6 O     0.00000   -0.00279    1.76964
  7 Pt   -0.00000    0.01392    0.45028
  8 Pt    0.00000   -0.04115    0.78524
  9 O    -1.58147    0.00073    0.04944
 10 O     1.58147    0.00073    0.04944
 11 O     0.00000   -0.00878   -0.56115
 12 O    -0.00000    0.00972    0.06856
 13 Pt   -0.00000    0.08503   -0.01569
 14 Pt    0.00000   -0.02180   -0.00007
 15 O     0.00007    0.01021    0.00342
 16 O    -0.00007    0.01021    0.00342
 17 O    -0.00000    0.01150   -0.32256
 18 O     0.00000    0.00024    0.01915
 19 Pt    0.00000   -0.04205   -0.00088
 20 Pt    0.00000   -0.05563    0.05989
 21 O    -0.11656    0.19606    0.11879
 22 O     0.11656    0.19606    0.11879
 23 O     0.00000   -0.01658   -0.01806
 24 O     0.00000   -0.00004    1.15107
 25 Pt   -0.00000    0.00955   -0.38159
 26 Pt    0.00000   -0.00015   -0.43452
 27 O    -1.69207    0.01366   -0.71858
 28 O     1.69207    0.01366   -0.71858
 29 O    -0.00000    0.05469   -1.38648
 30 O     0.00000   -0.00480    1.83188
 31 Pt   -0.00000    0.01923    0.51045
 32 Pt    0.00000   -0.17196    0.55561
 33 O    -1.61408   -0.01929    0.06847
 34 O     1.61408   -0.01929    0.06847
 35 O     0.00000   -0.03260   -0.52165
 36 O    -0.00000    0.10088   -0.07372
 37 Pt    0.00000   -0.11521   -0.02440
 38 Pt    0.00000   -0.00377   -0.01163
 39 O     0.01015    0.01281    0.01591
 40 O    -0.01015    0.01281    0.01591
 41 O     0.00000    0.00830   -0.01168
 42 O    -0.00000    0.02090   -0.00978
 43 Pt   -0.00000    0.01134    0.00097
 44 Pt    0.00000   -0.02910    0.00244
 45 O    -0.11008   -0.19011    0.12836
 46 O     0.11008   -0.19011    0.12836
 47 O     0.00000   -0.02619   -0.01812
 48 O    -0.00000    0.02156    1.17306
 49 Pt    0.00000   -0.02285   -0.38267
 50 Pt   -0.00000    0.02117   -0.43641
 51 O    -1.69075   -0.01393   -0.71932
 52 O     1.69075   -0.01393   -0.71932
 53 O     0.00000   -0.02062   -1.40273
 54 O     0.00000   -0.00163    1.77488
 55 Pt    0.00000   -0.01206    0.51430
 56 Pt   -0.00000    0.15370    0.63179
 57 O    -1.61283    0.01377    0.09552
 58 O     1.61283    0.01377    0.09552
 59 O     0.00000   -0.02126   -0.51325
 60 O     0.00000   -0.09635   -0.07360
 61 Pt   -0.00000    0.01166   -0.03083
 62 Pt   -0.00000    0.01824   -0.00534
 63 O    -0.00596   -0.00816    0.00209
 64 O     0.00596   -0.00816    0.00209
 65 O     0.00000   -0.00582   -0.00471
 66 O     0.00000    0.00250    0.00211
 67 Pt   -0.00000    0.00680    0.00609
 68 Pt   -0.00000    0.10743   -0.02683
 69 O    -0.00603   -0.00532   -0.00677
 70 O     0.00603   -0.00532   -0.00677
 71 O    -0.00000    0.00872   -0.01410
 72 N     0.00000   -0.10476   -0.04861
 73 N    -0.00000    0.09382    0.01195

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    2.217667   24.491561    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.772626   23.478915    ( 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  16:43:36  -3.51   +inf  -414.272542    3      1      
iter:   2  16:45:41  -4.17  -3.30  -414.331218    3      1      
iter:   3  16:47:46  -4.47  -2.76  -414.282912    3      1      
iter:   4  16:49:51  -4.99  -3.26  -414.273957    3      1      
iter:   5  16:51:53  -5.32  -4.06  -414.273866    3      1      
iter:   6  16:53:52  -5.39  -3.88  -414.273723    3      1      
iter:   7  16:55:54  -6.01  -4.36  -414.273607    2      1      
iter:   8  16:57:57  -6.16  -4.27  -414.273529    2      1      
iter:   9  17:00:00  -6.31  -4.57  -414.273285    2      1      
iter:  10  17:02:03  -6.86  -4.68  -414.273752    2      1      
iter:  11  17:04:06  -6.72  -4.48  -414.273371    2      1      
iter:  12  17:06:09  -7.00  -4.63  -414.273355    2      1      
iter:  13  17:08:12  -7.24  -4.36  -414.273438    2      1      
iter:  14  17:10:15  -7.45  -4.88  -414.273455    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961394, -32.921935, 0.258959) |e|*Ang

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

Kinetic:        +18.788043
Potential:     -137.003427
External:        +0.000000
XC:            -305.807430
Entropy (-ST):   -1.551669
Local:          +10.525193
--------------------------
Free energy:   -415.049289
Extrapolated:  -414.273455

Fermi level: -6.31779

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39932    0.15405
  0   340     -6.37367    0.14137
  0   341     -6.37191    0.14046
  0   342     -6.33961    0.12319

  1   339     -6.29532    0.19736
  1   340     -6.24493    0.14467
  1   341     -6.20612    0.10961
  1   342     -6.20226    0.10645



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17352
  1 Pt   -0.00000    0.00486   -0.37834
  2 Pt    0.00000   -0.01912   -0.43578
  3 O    -1.68235   -0.00011   -0.71912
  4 O     1.68235   -0.00011   -0.71912
  5 O     0.00000   -0.01117   -1.40241
  6 O     0.00000   -0.00280    1.77420
  7 Pt   -0.00000    0.01407    0.45219
  8 Pt    0.00000   -0.04118    0.78584
  9 O    -1.58146    0.00081    0.05009
 10 O     1.58146    0.00081    0.05009
 11 O     0.00000   -0.00878   -0.56068
 12 O    -0.00000    0.00967    0.07025
 13 Pt   -0.00000    0.08814   -0.01568
 14 Pt    0.00000   -0.02170   -0.00000
 15 O    -0.00055    0.01035    0.00368
 16 O     0.00055    0.01035    0.00368
 17 O    -0.00000    0.01057   -0.33143
 18 O     0.00000    0.00029    0.01887
 19 Pt    0.00000   -0.04191    0.00187
 20 Pt    0.00000   -0.05274    0.05991
 21 O    -0.11978    0.20148    0.12183
 22 O     0.11978    0.20148    0.12183
 23 O     0.00000   -0.01652   -0.01893
 24 O     0.00000   -0.00000    1.15078
 25 Pt   -0.00000    0.00977   -0.38099
 26 Pt    0.00000   -0.00006   -0.43422
 27 O    -1.69085    0.01370   -0.71852
 28 O     1.69085    0.01370   -0.71852
 29 O    -0.00000    0.05448   -1.38692
 30 O     0.00000   -0.00481    1.83610
 31 Pt   -0.00000    0.01909    0.51241
 32 Pt    0.00000   -0.17141    0.55763
 33 O    -1.61408   -0.01936    0.06913
 34 O     1.61408   -0.01936    0.06913
 35 O     0.00000   -0.03262   -0.52101
 36 O    -0.00000    0.10356   -0.07487
 37 Pt    0.00000   -0.11811   -0.02438
 38 Pt    0.00000   -0.00379   -0.01147
 39 O     0.00953    0.01267    0.01622
 40 O    -0.00953    0.01267    0.01622
 41 O     0.00000    0.00860   -0.00777
 42 O    -0.00000    0.02122   -0.01028
 43 Pt   -0.00000    0.01115    0.00348
 44 Pt    0.00000   -0.03076    0.00433
 45 O    -0.11335   -0.19553    0.13139
 46 O     0.11335   -0.19553    0.13139
 47 O     0.00000   -0.02604   -0.01852
 48 O    -0.00000    0.02153    1.17277
 49 Pt    0.00000   -0.02285   -0.38210
 50 Pt   -0.00000    0.02110   -0.43612
 51 O    -1.68960   -0.01392   -0.71924
 52 O     1.68960   -0.01392   -0.71924
 53 O     0.00000   -0.02041   -1.40313
 54 O     0.00000   -0.00161    1.77900
 55 Pt    0.00000   -0.01208    0.51624
 56 Pt   -0.00000    0.15317    0.63370
 57 O    -1.61279    0.01376    0.09604
 58 O     1.61279    0.01376    0.09604
 59 O     0.00000   -0.02123   -0.51264
 60 O     0.00000   -0.09889   -0.07463
 61 Pt   -0.00000    0.01162   -0.03134
 62 Pt   -0.00000    0.01817   -0.00513
 63 O    -0.00669   -0.00818    0.00240
 64 O     0.00669   -0.00818    0.00240
 65 O     0.00000   -0.00600   -0.00092
 66 O     0.00000    0.00212    0.00162
 67 Pt   -0.00000    0.00683    0.00712
 68 Pt   -0.00000    0.10870   -0.02505
 69 O    -0.00677   -0.00529   -0.00743
 70 O     0.00677   -0.00529   -0.00743
 71 O    -0.00000    0.00858   -0.01455
 72 N     0.00000   -0.13481   -0.15925
 73 N    -0.00000    0.12358    0.07177

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    2.217827   24.493646    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.774843   23.480158    ( 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  17:27:50  -4.51   +inf  -414.292161    3      1      
iter:   2  17:29:55  -3.61  -2.95  -414.900458    2      1      
iter:   3  17:31:59  -3.85  -2.21  -414.274877    2      1      
iter:   4  17:34:01  -4.64  -3.73  -414.274126    2      1      
iter:   5  17:36:03  -5.13  -4.34  -414.273354    2      1      
iter:   6  17:38:06  -5.53  -4.43  -414.273518    2      1      
iter:   7  17:40:10  -6.02  -4.85  -414.273500    2      1      
iter:   8  17:42:15  -6.57  -4.93  -414.273509    2      1      
iter:   9  17:44:19  -6.86  -4.93  -414.273487    2      1      
iter:  10  17:46:23  -7.37  -4.74  -414.273430    2      1      
iter:  11  17:48:28  -7.66  -5.13  -414.273572    2      1      

Converged after 11 iterations.

Dipole moment: (-55.961378, -32.921351, 0.259272) |e|*Ang

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

Kinetic:        +18.760971
Potential:     -136.979582
External:        +0.000000
XC:            -305.803969
Entropy (-ST):   -1.551522
Local:          +10.524769
--------------------------
Free energy:   -415.049333
Extrapolated:  -414.273572

Fermi level: -6.31800

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.39970    0.15414
  0   340     -6.37376    0.14131
  0   341     -6.37198    0.14039
  0   342     -6.33990    0.12323

  1   339     -6.29529    0.19710
  1   340     -6.24506    0.14459
  1   341     -6.20632    0.10960
  1   342     -6.20242    0.10642



Forces in eV/Ang:
  0 O     0.00000   -0.01749    1.17356
  1 Pt   -0.00000    0.00484   -0.37973
  2 Pt    0.00000   -0.01910   -0.43710
  3 O    -1.68307   -0.00007   -0.71941
  4 O     1.68307   -0.00007   -0.71941
  5 O     0.00000   -0.01113   -1.40286
  6 O     0.00000   -0.00276    1.76934
  7 Pt   -0.00000    0.01391    0.44959
  8 Pt    0.00000   -0.04121    0.78396
  9 O    -1.58121    0.00069    0.04886
 10 O     1.58121    0.00069    0.04886
 11 O     0.00000   -0.00876   -0.56261
 12 O    -0.00000    0.00950    0.06973
 13 Pt   -0.00000    0.08824   -0.01700
 14 Pt    0.00000   -0.02179    0.00041
 15 O     0.00030    0.01013    0.00295
 16 O    -0.00030    0.01013    0.00295
 17 O    -0.00000    0.00903   -0.33515
 18 O     0.00000    0.00018    0.01885
 19 Pt    0.00000   -0.04166    0.00358
 20 Pt    0.00000   -0.04902    0.05552
 21 O    -0.11967    0.20219    0.12481
 22 O     0.11967    0.20219    0.12481
 23 O     0.00000   -0.01645   -0.01779
 24 O     0.00000   -0.00005    1.15087
 25 Pt   -0.00000    0.00980   -0.38237
 26 Pt    0.00000   -0.00015   -0.43544
 27 O    -1.69157    0.01366   -0.71881
 28 O     1.69157    0.01366   -0.71881
 29 O    -0.00000    0.05448   -1.38745
 30 O     0.00000   -0.00488    1.83169
 31 Pt   -0.00000    0.01922    0.50971
 32 Pt    0.00000   -0.17132    0.55574
 33 O    -1.61384   -0.01923    0.06787
 34 O     1.61384   -0.01923    0.06787
 35 O     0.00000   -0.03263   -0.52290
 36 O    -0.00000    0.10404   -0.07613
 37 Pt    0.00000   -0.11797   -0.02558
 38 Pt    0.00000   -0.00363   -0.01116
 39 O     0.01045    0.01287    0.01537
 40 O    -0.01045    0.01287    0.01537
 41 O     0.00000    0.00853   -0.01017
 42 O    -0.00000    0.02121   -0.01046
 43 Pt   -0.00000    0.01116    0.00469
 44 Pt    0.00000   -0.03120    0.00721
 45 O    -0.11260   -0.19539    0.13265
 46 O     0.11260   -0.19539    0.13265
 47 O     0.00000   -0.02673   -0.01711
 48 O    -0.00000    0.02157    1.17284
 49 Pt    0.00000   -0.02286   -0.38341
 50 Pt   -0.00000    0.02118   -0.43735
 51 O    -1.69027   -0.01391   -0.71955
 52 O     1.69027   -0.01391   -0.71955
 53 O     0.00000   -0.02042   -1.40362
 54 O     0.00000   -0.00157    1.77467
 55 Pt    0.00000   -0.01206    0.51378
 56 Pt   -0.00000    0.15306    0.63183
 57 O    -1.61262    0.01376    0.09480
 58 O     1.61262    0.01376    0.09480
 59 O     0.00000   -0.02124   -0.51442
 60 O     0.00000   -0.09920   -0.07577
 61 Pt   -0.00000    0.01158   -0.03240
 62 Pt   -0.00000    0.01810   -0.00491
 63 O    -0.00606   -0.00814    0.00169
 64 O     0.00606   -0.00814    0.00169
 65 O     0.00000   -0.00577   -0.00315
 66 O     0.00000    0.00224    0.00135
 67 Pt   -0.00000    0.00665    0.00839
 68 Pt   -0.00000    0.10944   -0.02153
 69 O    -0.00573   -0.00539   -0.00643
 70 O     0.00573   -0.00539   -0.00643
 71 O    -0.00000    0.00916   -0.01307
 72 N     0.00000   -0.13490   -0.16424
 73 N    -0.00000    0.12770    0.07847

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    2.219760   24.504541    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.783715   23.488751    ( 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  18:04:26  -3.26   +inf  -414.270391    3      1      
iter:   2  18:06:16  -4.05  -3.35  -414.287240    3      1      
iter:   3  18:08:06  -4.51  -3.21  -414.276939    3      1      
iter:   4  18:09:55  -5.02  -3.34  -414.273262    2      1      
iter:   5  18:11:45  -4.82  -4.19  -414.273096    3      1      
iter:   6  18:13:35  -5.60  -4.12  -414.273222    2      1      
iter:   7  18:15:26  -6.20  -4.48  -414.273181    2      1      
iter:   8  18:17:17  -6.27  -4.44  -414.273390    2      1      
iter:   9  18:19:08  -6.18  -4.61  -414.272752    2      1      
iter:  10  18:20:59  -6.58  -4.40  -414.273144    2      1      
iter:  11  18:22:49  -7.06  -4.93  -414.273134    2      1      
iter:  12  18:24:40  -7.48  -4.78  -414.273157    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961440, -32.915810, 0.256793) |e|*Ang

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

Kinetic:        +18.866695
Potential:     -137.080532
External:        +0.000000
XC:            -305.809099
Entropy (-ST):   -1.551849
Local:          +10.525704
--------------------------
Free energy:   -415.049081
Extrapolated:  -414.273157

Fermi level: -6.31963

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.40101    0.15398
  0   340     -6.37549    0.14136
  0   341     -6.37372    0.14045
  0   342     -6.34165    0.12329

  1   339     -6.29714    0.19734
  1   340     -6.24672    0.14462
  1   341     -6.20807    0.10970
  1   342     -6.20404    0.10640



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17338
  1 Pt   -0.00000    0.00468   -0.37856
  2 Pt    0.00000   -0.01910   -0.43565
  3 O    -1.68213   -0.00006   -0.71915
  4 O     1.68213   -0.00006   -0.71915
  5 O     0.00000   -0.01112   -1.40213
  6 O     0.00000   -0.00277    1.77437
  7 Pt   -0.00000    0.01393    0.45175
  8 Pt    0.00000   -0.04135    0.78523
  9 O    -1.58131    0.00065    0.05003
 10 O     1.58131    0.00065    0.05003
 11 O     0.00000   -0.00877   -0.56143
 12 O    -0.00000    0.00929    0.07168
 13 Pt   -0.00000    0.09118   -0.01684
 14 Pt    0.00000   -0.02165   -0.00010
 15 O     0.00002    0.01017    0.00340
 16 O    -0.00002    0.01017    0.00340
 17 O    -0.00000    0.00423   -0.33903
 18 O     0.00000    0.00009    0.01928
 19 Pt    0.00000   -0.04190    0.00531
 20 Pt    0.00000   -0.04036    0.05894
 21 O    -0.12321    0.20731    0.12918
 22 O     0.12321    0.20731    0.12918
 23 O     0.00000   -0.01655   -0.01868
 24 O     0.00000   -0.00006    1.15055
 25 Pt   -0.00000    0.00996   -0.38121
 26 Pt    0.00000   -0.00017   -0.43402
 27 O    -1.69063    0.01366   -0.71854
 28 O     1.69063    0.01366   -0.71854
 29 O    -0.00000    0.05436   -1.38686
 30 O     0.00000   -0.00493    1.83679
 31 Pt   -0.00000    0.01918    0.51188
 32 Pt    0.00000   -0.17085    0.55830
 33 O    -1.61394   -0.01918    0.06910
 34 O     1.61394   -0.01918    0.06910
 35 O     0.00000   -0.03264   -0.52168
 36 O    -0.00000    0.10509   -0.07581
 37 Pt    0.00000   -0.11955   -0.02544
 38 Pt    0.00000   -0.00355   -0.01153
 39 O     0.01029    0.01278    0.01590
 40 O    -0.01029    0.01278    0.01590
 41 O     0.00000    0.00882   -0.01004
 42 O    -0.00000    0.02123   -0.00980
 43 Pt   -0.00000    0.01181    0.00471
 44 Pt    0.00000   -0.03173    0.00606
 45 O    -0.11384   -0.19862    0.13366
 46 O     0.11384   -0.19862    0.13366
 47 O     0.00000   -0.02642   -0.01775
 48 O    -0.00000    0.02161    1.17254
 49 Pt    0.00000   -0.02288   -0.38223
 50 Pt   -0.00000    0.02120   -0.43594
 51 O    -1.68935   -0.01392   -0.71926
 52 O     1.68935   -0.01392   -0.71926
 53 O     0.00000   -0.02024   -1.40293
 54 O     0.00000   -0.00152    1.77977
 55 Pt    0.00000   -0.01206    0.51602
 56 Pt   -0.00000    0.15264    0.63415
 57 O    -1.61273    0.01379    0.09593
 58 O     1.61273    0.01379    0.09593
 59 O     0.00000   -0.02122   -0.51325
 60 O     0.00000   -0.09983   -0.07531
 61 Pt   -0.00000    0.01143   -0.03294
 62 Pt   -0.00000    0.01792   -0.00531
 63 O    -0.00658   -0.00812    0.00226
 64 O     0.00658   -0.00812    0.00226
 65 O     0.00000   -0.00596   -0.00273
 66 O     0.00000    0.00232    0.00185
 67 Pt   -0.00000    0.00651    0.00790
 68 Pt   -0.00000    0.11023   -0.02171
 69 O    -0.00582   -0.00522   -0.00603
 70 O     0.00582   -0.00522   -0.00603
 71 O    -0.00000    0.00895   -0.01396
 72 N     0.00000   -0.04613   -0.04884
 73 N    -0.00000    0.01080   -0.02537

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    2.221944   24.514924    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.790990   23.497289    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:54:02  -3.33   +inf  -414.291589    3      1      
iter:   2  18:55:53  -3.52  -2.94  -414.909212    2      1      
iter:   3  18:57:44  -3.81  -2.21  -414.274072    3      1      
iter:   4  18:59:34  -4.51  -3.55  -414.273129    3      1      
iter:   5  19:01:23  -4.79  -4.05  -414.270835    2      1      
iter:   6  19:03:13  -5.03  -3.96  -414.272147    3      1      
iter:   7  19:05:03  -5.80  -4.15  -414.272188    2      1      
iter:   8  19:06:53  -6.09  -4.47  -414.272232    2      1      
iter:   9  19:08:45  -5.99  -4.44  -414.272500    2      1      
iter:  10  19:10:36  -6.40  -3.78  -414.272298    2      1      
iter:  11  19:12:27  -6.40  -4.51  -414.271843    2      1      
iter:  12  19:14:17  -6.81  -4.49  -414.272249    2      1      
iter:  13  19:16:07  -7.09  -4.71  -414.272121    2      1      
iter:  14  19:17:57  -7.56  -5.07  -414.272142    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961494, -32.911061, 0.255543) |e|*Ang

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

Kinetic:        +18.890725
Potential:     -137.111433
External:        +0.000000
XC:            -305.800952
Entropy (-ST):   -1.552026
Local:          +10.525532
--------------------------
Free energy:   -415.048155
Extrapolated:  -414.272142

Fermi level: -6.32093

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.40233    0.15399
  0   340     -6.37662    0.14127
  0   341     -6.37485    0.14036
  0   342     -6.34313    0.12339

  1   339     -6.29834    0.19722
  1   340     -6.24790    0.14450
  1   341     -6.20941    0.10973
  1   342     -6.20529    0.10636



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17334
  1 Pt   -0.00000    0.00451   -0.37859
  2 Pt    0.00000   -0.01910   -0.43523
  3 O    -1.68326   -0.00007   -0.71904
  4 O     1.68326   -0.00007   -0.71904
  5 O     0.00000   -0.01108   -1.40178
  6 O     0.00000   -0.00276    1.77198
  7 Pt   -0.00000    0.01397    0.45115
  8 Pt    0.00000   -0.04144    0.78412
  9 O    -1.58133    0.00068    0.05038
 10 O     1.58133    0.00068    0.05038
 11 O     0.00000   -0.00877   -0.56192
 12 O    -0.00000    0.00898    0.07284
 13 Pt   -0.00000    0.09392   -0.01800
 14 Pt    0.00000   -0.02155   -0.00023
 15 O     0.00027    0.01021    0.00391
 16 O    -0.00027    0.01021    0.00391
 17 O     0.00000    0.00012   -0.35023
 18 O     0.00000    0.00028    0.01991
 19 Pt    0.00000   -0.04152    0.00598
 20 Pt    0.00000   -0.02904    0.05513
 21 O    -0.12477    0.21077    0.13430
 22 O     0.12477    0.21077    0.13430
 23 O     0.00000   -0.01644   -0.01930
 24 O     0.00000   -0.00006    1.15051
 25 Pt   -0.00000    0.01014   -0.38124
 26 Pt    0.00000   -0.00015   -0.43362
 27 O    -1.69175    0.01367   -0.71843
 28 O     1.69175    0.01367   -0.71843
 29 O    -0.00000    0.05424   -1.38707
 30 O     0.00000   -0.00490    1.83433
 31 Pt   -0.00000    0.01913    0.51126
 32 Pt    0.00000   -0.17033    0.55830
 33 O    -1.61398   -0.01918    0.06946
 34 O     1.61398   -0.01918    0.06946
 35 O     0.00000   -0.03264   -0.52210
 36 O    -0.00000    0.10759   -0.07743
 37 Pt    0.00000   -0.12159   -0.02628
 38 Pt    0.00000   -0.00364   -0.01180
 39 O     0.01059    0.01270    0.01635
 40 O    -0.01059    0.01270    0.01635
 41 O     0.00000    0.00898   -0.01220
 42 O    -0.00000    0.02135   -0.00975
 43 Pt   -0.00000    0.01134    0.00448
 44 Pt    0.00000   -0.03322    0.00557
 45 O    -0.11512   -0.20146    0.13639
 46 O     0.11512   -0.20146    0.13639
 47 O     0.00000   -0.02654   -0.01788
 48 O    -0.00000    0.02164    1.17249
 49 Pt    0.00000   -0.02289   -0.38221
 50 Pt   -0.00000    0.02117   -0.43555
 51 O    -1.69050   -0.01392   -0.71914
 52 O     1.69050   -0.01392   -0.71914
 53 O     0.00000   -0.02012   -1.40302
 54 O     0.00000   -0.00156    1.77732
 55 Pt    0.00000   -0.01206    0.51535
 56 Pt   -0.00000    0.15213    0.63398
 57 O    -1.61274    0.01379    0.09608
 58 O     1.61274    0.01379    0.09608
 59 O     0.00000   -0.02122   -0.51363
 60 O     0.00000   -0.10190   -0.07659
 61 Pt   -0.00000    0.01133   -0.03426
 62 Pt   -0.00000    0.01795   -0.00566
 63 O    -0.00637   -0.00811    0.00259
 64 O     0.00637   -0.00811    0.00259
 65 O     0.00000   -0.00575   -0.00484
 66 O     0.00000    0.00200    0.00196
 67 Pt   -0.00000    0.00660    0.00705
 68 Pt   -0.00000    0.11060   -0.02271
 69 O    -0.00584   -0.00511   -0.00570
 70 O     0.00584   -0.00511   -0.00570
 71 O    -0.00000    0.00910   -0.01425
 72 N     0.00000   -0.07180   -0.00856
 73 N     0.00000   -0.02607   -0.03830

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    2.224241   24.525345    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.798353   23.505869    ( 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  19:38:11  -3.34   +inf  -414.271967    3      1      
iter:   2  19:40:01  -4.18  -3.67  -414.286377    3      1      
iter:   3  19:41:51  -4.65  -3.04  -414.273791    2      1      
iter:   4  19:43:40  -5.13  -3.83  -414.271961    3      1      
iter:   5  19:45:30  -5.00  -4.04  -414.272833    3      1      
iter:   6  19:47:20  -5.60  -4.05  -414.272572    2      1      
iter:   7  19:49:11  -6.04  -4.44  -414.272375    2      1      
iter:   8  19:51:02  -6.17  -4.47  -414.272328    2      1      
iter:   9  19:52:53  -6.36  -4.47  -414.272046    2      1      
iter:  10  19:54:44  -6.60  -4.53  -414.272455    2      1      
iter:  11  19:56:34  -7.14  -4.84  -414.272324    2      1      
iter:  12  19:58:24  -7.43  -4.80  -414.272421    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961468, -32.906293, 0.253409) |e|*Ang

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

Kinetic:        +18.929560
Potential:     -137.156946
External:        +0.000000
XC:            -305.793130
Entropy (-ST):   -1.552050
Local:          +10.524120
--------------------------
Free energy:   -415.048446
Extrapolated:  -414.272421

Fermi level: -6.32241

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.40329    0.15374
  0   340     -6.37831    0.14138
  0   341     -6.37656    0.14048
  0   342     -6.34459    0.12338

  1   339     -6.29983    0.19724
  1   340     -6.24954    0.14465
  1   341     -6.21095    0.10978
  1   342     -6.20659    0.10621



Forces in eV/Ang:
  0 O     0.00000   -0.01759    1.17339
  1 Pt   -0.00000    0.00434   -0.37835
  2 Pt    0.00000   -0.01911   -0.43562
  3 O    -1.68213   -0.00010   -0.71914
  4 O     1.68213   -0.00010   -0.71914
  5 O     0.00000   -0.01105   -1.40154
  6 O     0.00000   -0.00278    1.77478
  7 Pt   -0.00000    0.01408    0.45210
  8 Pt    0.00000   -0.04155    0.78397
  9 O    -1.58120    0.00072    0.05013
 10 O     1.58120    0.00072    0.05013
 11 O     0.00000   -0.00878   -0.56129
 12 O    -0.00000    0.00876    0.07457
 13 Pt   -0.00000    0.09656   -0.01744
 14 Pt    0.00000   -0.02142    0.00058
 15 O    -0.00015    0.01024    0.00386
 16 O     0.00015    0.01024    0.00386
 17 O     0.00000   -0.00367   -0.35697
 18 O     0.00000    0.00035    0.01966
 19 Pt    0.00000   -0.04139    0.00862
 20 Pt    0.00000   -0.01906    0.05067
 21 O    -0.12810    0.21639    0.13715
 22 O     0.12810    0.21639    0.13715
 23 O     0.00000   -0.01635   -0.02006
 24 O     0.00000   -0.00003    1.15052
 25 Pt   -0.00000    0.01033   -0.38101
 26 Pt    0.00000   -0.00011   -0.43413
 27 O    -1.69062    0.01370   -0.71853
 28 O     1.69062    0.01370   -0.71853
 29 O    -0.00000    0.05407   -1.38746
 30 O     0.00000   -0.00495    1.83685
 31 Pt   -0.00000    0.01901    0.51222
 32 Pt    0.00000   -0.16990    0.55942
 33 O    -1.61385   -0.01922    0.06927
 34 O     1.61385   -0.01922    0.06927
 35 O     0.00000   -0.03268   -0.52134
 36 O    -0.00000    0.11012   -0.07829
 37 Pt    0.00000   -0.12351   -0.02548
 38 Pt    0.00000   -0.00363   -0.01091
 39 O     0.01025    0.01264    0.01635
 40 O    -0.01025    0.01264    0.01635
 41 O     0.00000    0.00924   -0.00743
 42 O    -0.00000    0.02163   -0.01021
 43 Pt   -0.00000    0.01122    0.00619
 44 Pt    0.00000   -0.03467    0.00677
 45 O    -0.11797   -0.20630    0.13706
 46 O     0.11797   -0.20630    0.13706
 47 O     0.00000   -0.02625   -0.01825
 48 O    -0.00000    0.02162    1.17250
 49 Pt    0.00000   -0.02291   -0.38201
 50 Pt   -0.00000    0.02114   -0.43606
 51 O    -1.68942   -0.01392   -0.71927
 52 O     1.68942   -0.01392   -0.71927
 53 O     0.00000   -0.01991   -1.40330
 54 O     0.00000   -0.00149    1.77983
 55 Pt    0.00000   -0.01207    0.51636
 56 Pt   -0.00000    0.15173    0.63492
 57 O    -1.61259    0.01380    0.09577
 58 O     1.61259    0.01380    0.09577
 59 O     0.00000   -0.02117   -0.51288
 60 O     0.00000   -0.10406   -0.07719
 61 Pt   -0.00000    0.01119   -0.03405
 62 Pt   -0.00000    0.01782   -0.00479
 63 O    -0.00692   -0.00813    0.00253
 64 O     0.00692   -0.00813    0.00253
 65 O     0.00000   -0.00570   -0.00015
 66 O     0.00000    0.00163    0.00155
 67 Pt   -0.00000    0.00662    0.00811
 68 Pt   -0.00000    0.11122   -0.02170
 69 O    -0.00668   -0.00503   -0.00704
 70 O     0.00668   -0.00503   -0.00704
 71 O    -0.00000    0.00879   -0.01479
 72 N     0.00000   -0.05299    0.06337
 73 N    -0.00000    0.02625    0.01762

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    2.226178   24.535758    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.807291   23.513991    ( 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  20:29:49  -3.29   +inf  -414.306099    3      1      
iter:   2  20:31:39  -3.31  -2.82  -415.360607    3      1      
iter:   3  20:33:28  -3.60  -2.10  -414.278373    3      1      
iter:   4  20:35:18  -4.28  -3.39  -414.274259    2      1      
iter:   5  20:37:07  -4.55  -4.04  -414.272661    3      1      
iter:   6  20:38:58  -5.18  -4.19  -414.272717    2      1      
iter:   7  20:40:49  -5.50  -4.31  -414.273628    3      1      
iter:   8  20:42:40  -6.01  -4.27  -414.273283    2      1      
iter:   9  20:44:31  -6.43  -4.51  -414.273493    2      1      
iter:  10  20:46:22  -6.30  -4.13  -414.273142    2      1      
iter:  11  20:48:12  -6.61  -4.39  -414.273241    2      1      
iter:  12  20:50:02  -6.99  -4.70  -414.273214    2      1      
iter:  13  20:51:52  -7.55  -4.96  -414.273342    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961588, -32.901230, 0.251832) |e|*Ang

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

Kinetic:        +18.999900
Potential:     -137.223560
External:        +0.000000
XC:            -305.795248
Entropy (-ST):   -1.552164
Local:          +10.521649
--------------------------
Free energy:   -415.049424
Extrapolated:  -414.273342

Fermi level: -6.32416

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.40517    0.15381
  0   340     -6.37981    0.14126
  0   341     -6.37805    0.14035
  0   342     -6.34655    0.12350

  1   339     -6.30142    0.19707
  1   340     -6.25111    0.14448
  1   341     -6.21273    0.10981
  1   342     -6.20831    0.10619



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17310
  1 Pt   -0.00000    0.00419   -0.37906
  2 Pt    0.00000   -0.01909   -0.43510
  3 O    -1.68421   -0.00006   -0.71948
  4 O     1.68421   -0.00006   -0.71948
  5 O     0.00000   -0.01101   -1.40168
  6 O     0.00000   -0.00276    1.77130
  7 Pt   -0.00000    0.01402    0.45019
  8 Pt    0.00000   -0.04167    0.78225
  9 O    -1.58112    0.00066    0.04991
 10 O     1.58112    0.00066    0.04991
 11 O     0.00000   -0.00876   -0.56286
 12 O    -0.00000    0.00849    0.07452
 13 Pt   -0.00000    0.09918   -0.01961
 14 Pt    0.00000   -0.02135   -0.00005
 15 O     0.00064    0.01021    0.00386
 16 O    -0.00064    0.01021    0.00386
 17 O     0.00000   -0.00803   -0.36741
 18 O     0.00000    0.00041    0.02016
 19 Pt    0.00000   -0.04109    0.00995
 20 Pt    0.00000   -0.01021    0.04786
 21 O    -0.12973    0.21965    0.14427
 22 O     0.12973    0.21965    0.14427
 23 O     0.00000   -0.01648   -0.02019
 24 O     0.00000   -0.00008    1.15021
 25 Pt   -0.00000    0.01048   -0.38171
 26 Pt    0.00000   -0.00016   -0.43353
 27 O    -1.69270    0.01365   -0.71887
 28 O     1.69270    0.01365   -0.71887
 29 O    -0.00000    0.05401   -1.38778
 30 O     0.00000   -0.00489    1.83367
 31 Pt   -0.00000    0.01904    0.51023
 32 Pt    0.00000   -0.16932    0.55865
 33 O    -1.61378   -0.01912    0.06905
 34 O     1.61378   -0.01912    0.06905
 35 O     0.00000   -0.03264   -0.52294
 36 O    -0.00000    0.11169   -0.08052
 37 Pt    0.00000   -0.12519   -0.02753
 38 Pt    0.00000   -0.00369   -0.01156
 39 O     0.01112    0.01260    0.01625
 40 O    -0.01112    0.01260    0.01625
 41 O     0.00000    0.00938   -0.01226
 42 O    -0.00000    0.02172   -0.00997
 43 Pt   -0.00000    0.01122    0.00577
 44 Pt    0.00000   -0.03551    0.00638
 45 O    -0.11783   -0.20805    0.14028
 46 O     0.11783   -0.20805    0.14028
 47 O     0.00000   -0.02651   -0.01772
 48 O    -0.00000    0.02168    1.17219
 49 Pt    0.00000   -0.02293   -0.38256
 50 Pt   -0.00000    0.02117   -0.43547
 51 O    -1.69148   -0.01391   -0.71955
 52 O     1.69148   -0.01391   -0.71955
 53 O     0.00000   -0.01985   -1.40351
 54 O     0.00000   -0.00158    1.77670
 55 Pt    0.00000   -0.01206    0.51439
 56 Pt   -0.00000    0.15119    0.63393
 57 O    -1.61255    0.01381    0.09538
 58 O     1.61255    0.01381    0.09538
 59 O     0.00000   -0.02122   -0.51446
 60 O     0.00000   -0.10518   -0.07909
 61 Pt   -0.00000    0.01110   -0.03638
 62 Pt   -0.00000    0.01785   -0.00554
 63 O    -0.00626   -0.00807    0.00243
 64 O     0.00626   -0.00807    0.00243
 65 O     0.00000   -0.00558   -0.00455
 66 O     0.00000    0.00149    0.00166
 67 Pt   -0.00000    0.00654    0.00767
 68 Pt   -0.00000    0.11194   -0.02096
 69 O    -0.00592   -0.00489   -0.00459
 70 O     0.00592   -0.00489   -0.00459
 71 O    -0.00000    0.00915   -0.01436
 72 N     0.00000   -0.01883    0.10091
 73 N     0.00000   -0.04643   -0.05990

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    2.228373   24.546308    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.816416   23.522124    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:16:28  -3.29   +inf  -414.272943    3      1      
iter:   2  21:18:19  -3.95  -3.29  -414.364736    3      1      
iter:   3  21:20:08  -4.29  -2.64  -414.278625    3      1      
iter:   4  21:21:58  -4.82  -3.46  -414.272943    3      1      
iter:   5  21:23:47  -4.93  -4.19  -414.272567    3      1      
iter:   6  21:25:38  -5.17  -3.95  -414.272729    3      1      
iter:   7  21:27:29  -6.13  -4.42  -414.272776    2      1      
iter:   8  21:29:21  -6.30  -4.42  -414.272701    2      1      
iter:   9  21:31:11  -6.36  -4.65  -414.273060    3      1      
iter:  10  21:33:02  -6.51  -4.49  -414.272329    2      1      
iter:  11  21:34:52  -6.69  -4.42  -414.272664    2      1      
iter:  12  21:36:42  -7.30  -4.48  -414.272683    2      1      
iter:  13  21:38:32  -7.35  -4.81  -414.272691    2      1      
iter:  14  21:40:22  -7.36  -5.04  -414.272717    2      1      
iter:  15  21:42:12  -7.53  -5.05  -414.272657    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961474, -32.896883, 0.250762) |e|*Ang

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

Kinetic:        +19.106252
Potential:     -137.327570
External:        +0.000000
XC:            -305.795382
Entropy (-ST):   -1.552470
Local:          +10.520278
--------------------------
Free energy:   -415.048892
Extrapolated:  -414.272657

Fermi level: -6.32462

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.40540    0.15370
  0   340     -6.38037    0.14130
  0   341     -6.37862    0.14040
  0   342     -6.34713    0.12356

  1   339     -6.30203    0.19723
  1   340     -6.25159    0.14450
  1   341     -6.21331    0.10991
  1   342     -6.20872    0.10616



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17357
  1 Pt   -0.00000    0.00407   -0.37789
  2 Pt    0.00000   -0.01910   -0.43548
  3 O    -1.68240   -0.00003   -0.71914
  4 O     1.68240   -0.00003   -0.71914
  5 O     0.00000   -0.01098   -1.40079
  6 O     0.00000   -0.00276    1.77345
  7 Pt   -0.00000    0.01403    0.45202
  8 Pt    0.00000   -0.04175    0.78309
  9 O    -1.58155    0.00067    0.05031
 10 O     1.58155    0.00067    0.05031
 11 O     0.00000   -0.00878   -0.56178
 12 O    -0.00000    0.00815    0.07749
 13 Pt   -0.00000    0.10149   -0.01989
 14 Pt    0.00000   -0.02126    0.00007
 15 O    -0.00005    0.01024    0.00393
 16 O     0.00005    0.01024    0.00393
 17 O     0.00000   -0.01254   -0.37657
 18 O    -0.00000    0.00053    0.02071
 19 Pt    0.00000   -0.04092    0.00839
 20 Pt   -0.00000    0.00388    0.03290
 21 O    -0.13202    0.22447    0.14390
 22 O     0.13202    0.22447    0.14390
 23 O     0.00000   -0.01592   -0.02271
 24 O     0.00000   -0.00009    1.15068
 25 Pt   -0.00000    0.01062   -0.38055
 26 Pt    0.00000   -0.00018   -0.43389
 27 O    -1.69089    0.01364   -0.71852
 28 O     1.69089    0.01364   -0.71852
 29 O    -0.00000    0.05387   -1.38767
 30 O     0.00000   -0.00481    1.83595
 31 Pt   -0.00000    0.01901    0.51206
 32 Pt    0.00000   -0.16881    0.56056
 33 O    -1.61424   -0.01912    0.06950
 34 O     1.61424   -0.01912    0.06950
 35 O     0.00000   -0.03260   -0.52182
 36 O    -0.00000    0.11471   -0.08071
 37 Pt    0.00000   -0.12688   -0.02742
 38 Pt    0.00000   -0.00375   -0.01170
 39 O     0.01055    0.01252    0.01637
 40 O    -0.01055    0.01252    0.01637
 41 O     0.00000    0.00907   -0.01134
 42 O    -0.00000    0.02187   -0.00989
 43 Pt   -0.00000    0.01091    0.00412
 44 Pt    0.00000   -0.03730    0.00488
 45 O    -0.12102   -0.21280    0.13886
 46 O     0.12102   -0.21280    0.13886
 47 O     0.00000   -0.02620   -0.01890
 48 O    -0.00000    0.02171    1.17266
 49 Pt    0.00000   -0.02295   -0.38136
 50 Pt   -0.00000    0.02120   -0.43584
 51 O    -1.68967   -0.01392   -0.71923
 52 O     1.68967   -0.01392   -0.71923
 53 O     0.00000   -0.01969   -1.40329
 54 O     0.00000   -0.00166    1.77897
 55 Pt    0.00000   -0.01206    0.51627
 56 Pt   -0.00000    0.15070    0.63570
 57 O    -1.61298    0.01382    0.09570
 58 O     1.61298    0.01382    0.09570
 59 O     0.00000   -0.02123   -0.51329
 60 O     0.00000   -0.10767   -0.07892
 61 Pt   -0.00000    0.01097   -0.03729
 62 Pt   -0.00000    0.01787   -0.00573
 63 O    -0.00718   -0.00808    0.00233
 64 O     0.00718   -0.00808    0.00233
 65 O     0.00000   -0.00478   -0.00349
 66 O     0.00000    0.00122    0.00174
 67 Pt   -0.00000    0.00655    0.00670
 68 Pt   -0.00000    0.11159   -0.02447
 69 O    -0.00652   -0.00478   -0.00789
 70 O     0.00652   -0.00478   -0.00789
 71 O    -0.00000    0.00851   -0.01591
 72 N     0.00000   -0.03164    0.11320
 73 N     0.00000   -0.08408   -0.10275

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    2.230532   24.557066    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.824553   23.530157    ( 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  21:58:21  -3.31   +inf  -414.280836    3      1      
iter:   2  22:00:12  -3.76  -3.11  -414.568945    3      1      
iter:   3  22:02:02  -4.10  -2.37  -414.273838    2      1      
iter:   4  22:03:52  -4.74  -3.85  -414.272311    2      1      
iter:   5  22:05:41  -4.86  -4.13  -414.273951    3      1      
iter:   6  22:07:31  -5.24  -3.88  -414.272523    2      1      
iter:   7  22:09:21  -5.90  -4.21  -414.272622    2      1      
iter:   8  22:11:12  -6.20  -4.43  -414.272591    2      1      
iter:   9  22:13:03  -6.14  -4.38  -414.272361    2      1      
iter:  10  22:14:54  -6.35  -3.96  -414.272494    3      1      
iter:  11  22:16:45  -6.67  -4.58  -414.272367    2      1      
iter:  12  22:18:36  -7.08  -4.69  -414.272625    2      1      
iter:  13  22:20:26  -7.34  -4.74  -414.272526    2      1      
iter:  14  22:22:16  -7.50  -5.09  -414.272561    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961532, -32.891672, 0.248559) |e|*Ang

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

Kinetic:        +19.030344
Potential:     -137.277786
External:        +0.000000
XC:            -305.768648
Entropy (-ST):   -1.552561
Local:          +10.519810
--------------------------
Free energy:   -415.048842
Extrapolated:  -414.272561

Fermi level: -6.32684

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.40755    0.15367
  0   340     -6.38244    0.14123
  0   341     -6.38070    0.14033
  0   342     -6.34948    0.12364

  1   339     -6.30411    0.19708
  1   340     -6.25373    0.14443
  1   341     -6.21554    0.10992
  1   342     -6.21086    0.10609



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17350
  1 Pt   -0.00000    0.00391   -0.37844
  2 Pt    0.00000   -0.01910   -0.43566
  3 O    -1.68342   -0.00005   -0.71897
  4 O     1.68342   -0.00005   -0.71897
  5 O     0.00000   -0.01095   -1.40045
  6 O     0.00000   -0.00276    1.77048
  7 Pt   -0.00000    0.01407    0.45086
  8 Pt    0.00000   -0.04186    0.78169
  9 O    -1.58138    0.00068    0.05032
 10 O     1.58138    0.00068    0.05032
 11 O     0.00000   -0.00878   -0.56201
 12 O    -0.00000    0.00792    0.07826
 13 Pt   -0.00000    0.10448   -0.02088
 14 Pt    0.00000   -0.02112   -0.00056
 15 O     0.00017    0.01027    0.00405
 16 O    -0.00017    0.01027    0.00405
 17 O     0.00000   -0.01609   -0.38480
 18 O    -0.00000    0.00055    0.02073
 19 Pt    0.00000   -0.04074    0.01181
 20 Pt   -0.00000    0.01230    0.03517
 21 O    -0.13460    0.22861    0.14872
 22 O     0.13460    0.22861    0.14872
 23 O     0.00000   -0.01613   -0.02225
 24 O     0.00000   -0.00008    1.15056
 25 Pt   -0.00000    0.01079   -0.38110
 26 Pt    0.00000   -0.00015   -0.43411
 27 O    -1.69190    0.01365   -0.71836
 28 O     1.69190    0.01365   -0.71836
 29 O    -0.00000    0.05376   -1.38768
 30 O     0.00000   -0.00482    1.83287
 31 Pt   -0.00000    0.01896    0.51090
 32 Pt    0.00000   -0.16833    0.56034
 33 O    -1.61407   -0.01912    0.06952
 34 O     1.61407   -0.01912    0.06952
 35 O     0.00000   -0.03260   -0.52194
 36 O    -0.00000    0.11645   -0.08193
 37 Pt    0.00000   -0.12918   -0.02823
 38 Pt    0.00000   -0.00375   -0.01229
 39 O     0.01080    0.01246    0.01647
 40 O    -0.01080    0.01246    0.01647
 41 O     0.00000    0.00936   -0.01282
 42 O    -0.00000    0.02198   -0.01001
 43 Pt   -0.00000    0.01091    0.00617
 44 Pt    0.00000   -0.03868    0.00635
 45 O    -0.12211   -0.21566    0.14024
 46 O     0.12211   -0.21566    0.14024
 47 O     0.00000   -0.02617   -0.01846
 48 O    -0.00000    0.02171    1.17253
 49 Pt    0.00000   -0.02296   -0.38190
 50 Pt   -0.00000    0.02118   -0.43608
 51 O    -1.69071   -0.01392   -0.71904
 52 O     1.69071   -0.01392   -0.71904
 53 O     0.00000   -0.01956   -1.40318
 54 O     0.00000   -0.00164    1.77588
 55 Pt    0.00000   -0.01207    0.51512
 56 Pt   -0.00000    0.15026    0.63529
 57 O    -1.61279    0.01383    0.09558
 58 O     1.61279    0.01383    0.09558
 59 O     0.00000   -0.02123   -0.51344
 60 O     0.00000   -0.10900   -0.07988
 61 Pt   -0.00000    0.01086   -0.03885
 62 Pt   -0.00000    0.01775   -0.00637
 63 O    -0.00709   -0.00807    0.00249
 64 O     0.00709   -0.00807    0.00249
 65 O     0.00000   -0.00478   -0.00478
 66 O     0.00000    0.00104    0.00155
 67 Pt   -0.00000    0.00652    0.00752
 68 Pt   -0.00000    0.11246   -0.02246
 69 O    -0.00654   -0.00464   -0.00767
 70 O     0.00654   -0.00464   -0.00767
 71 O    -0.00000    0.00869   -0.01559
 72 N     0.00000   -0.07400    0.04434
 73 N     0.00000   -0.05892   -0.03155

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    2.232414   24.567770    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.832997   23.538321    ( 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  22:45:09  -3.30   +inf  -414.270993    3      1      
iter:   2  22:46:59  -4.04  -3.41  -414.323811    3      1      
iter:   3  22:48:50  -4.45  -2.76  -414.274519    2      1      
iter:   4  22:50:39  -4.96  -3.63  -414.271069    3      1      
iter:   5  22:52:29  -4.95  -4.12  -414.271358    3      1      
iter:   6  22:54:18  -5.30  -3.93  -414.271326    3      1      
iter:   7  22:56:09  -5.93  -4.33  -414.271166    2      1      
iter:   8  22:57:59  -6.18  -4.31  -414.271058    2      1      
iter:   9  22:59:51  -6.30  -4.57  -414.270954    3      1      
iter:  10  23:01:42  -6.43  -4.60  -414.271183    2      1      
iter:  11  23:03:33  -6.94  -4.71  -414.270940    2      1      
iter:  12  23:05:24  -7.39  -4.67  -414.271082    2      1      
iter:  13  23:07:16  -7.74  -5.16  -414.271097    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961540, -32.886579, 0.246760) |e|*Ang

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

Kinetic:        +19.008026
Potential:     -137.268946
External:        +0.000000
XC:            -305.753475
Entropy (-ST):   -1.552714
Local:          +10.519655
--------------------------
Free energy:   -415.047454
Extrapolated:  -414.271097

Fermi level: -6.32879

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.40966    0.15374
  0   340     -6.38416    0.14111
  0   341     -6.38240    0.14020
  0   342     -6.35167    0.12377

  1   339     -6.30588    0.19688
  1   340     -6.25551    0.14426
  1   341     -6.21755    0.10997
  1   342     -6.21278    0.10606



Forces in eV/Ang:
  0 O     0.00000   -0.01771    1.17378
  1 Pt   -0.00000    0.00375   -0.37867
  2 Pt    0.00000   -0.01909   -0.43590
  3 O    -1.68455   -0.00004   -0.71885
  4 O     1.68455   -0.00004   -0.71885
  5 O     0.00000   -0.01092   -1.39967
  6 O     0.00000   -0.00277    1.76589
  7 Pt   -0.00000    0.01406    0.44895
  8 Pt    0.00000   -0.04196    0.77985
  9 O    -1.58153    0.00064    0.04969
 10 O     1.58153    0.00064    0.04969
 11 O     0.00000   -0.00878   -0.56240
 12 O    -0.00000    0.00769    0.07947
 13 Pt   -0.00000    0.10741   -0.02242
 14 Pt    0.00000   -0.02102   -0.00098
 15 O     0.00062    0.01020    0.00374
 16 O    -0.00062    0.01020    0.00374
 17 O     0.00000   -0.01957   -0.39504
 18 O    -0.00000    0.00064    0.02149
 19 Pt    0.00000   -0.04073    0.01400
 20 Pt   -0.00000    0.02035    0.03468
 21 O    -0.13616    0.23230    0.15333
 22 O     0.13616    0.23230    0.15333
 23 O     0.00000   -0.01620   -0.02195
 24 O     0.00000   -0.00010    1.15080
 25 Pt   -0.00000    0.01096   -0.38135
 26 Pt    0.00000   -0.00018   -0.43437
 27 O    -1.69303    0.01365   -0.71823
 28 O     1.69303    0.01365   -0.71823
 29 O    -0.00000    0.05364   -1.38723
 30 O     0.00000   -0.00483    1.82836
 31 Pt   -0.00000    0.01896    0.50897
 32 Pt    0.00000   -0.16780    0.55954
 33 O    -1.61422   -0.01906    0.06894
 34 O     1.61422   -0.01906    0.06894
 35 O     0.00000   -0.03260   -0.52235
 36 O    -0.00000    0.11817   -0.08288
 37 Pt    0.00000   -0.13148   -0.02957
 38 Pt    0.00000   -0.00375   -0.01255
 39 O     0.01131    0.01248    0.01613
 40 O    -0.01131    0.01248    0.01613
 41 O     0.00000    0.00943   -0.01684
 42 O    -0.00000    0.02208   -0.00939
 43 Pt   -0.00000    0.01111    0.00702
 44 Pt    0.00000   -0.04017    0.00753
 45 O    -0.12248   -0.21825    0.14174
 46 O     0.12248   -0.21825    0.14174
 47 O     0.00000   -0.02637   -0.01795
 48 O    -0.00000    0.02174    1.17277
 49 Pt    0.00000   -0.02297   -0.38208
 50 Pt   -0.00000    0.02120   -0.43634
 51 O    -1.69184   -0.01392   -0.71890
 52 O     1.69184   -0.01392   -0.71890
 53 O     0.00000   -0.01942   -1.40263
 54 O     0.00000   -0.00164    1.77140
 55 Pt    0.00000   -0.01207    0.51325
 56 Pt   -0.00000    0.14978    0.63431
 57 O    -1.61298    0.01384    0.09488
 58 O     1.61298    0.01384    0.09488
 59 O     0.00000   -0.02122   -0.51383
 60 O     0.00000   -0.11028   -0.08056
 61 Pt   -0.00000    0.01075   -0.04081
 62 Pt   -0.00000    0.01769   -0.00670
 63 O    -0.00685   -0.00805    0.00228
 64 O     0.00685   -0.00805    0.00228
 65 O     0.00000   -0.00456   -0.00841
 66 O     0.00000    0.00084    0.00215
 67 Pt   -0.00000    0.00649    0.00736
 68 Pt   -0.00000    0.11327   -0.02067
 69 O    -0.00549   -0.00449   -0.00754
 70 O     0.00549   -0.00449   -0.00754
 71 O    -0.00000    0.00895   -0.01522
 72 N     0.00000   -0.08186    0.00027
 73 N     0.00000   -0.14673   -0.11168

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    2.234106   24.578796    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.840056   23.546864    ( 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  23:29:34  -3.30   +inf  -414.338683    3      1      
iter:   2  23:31:24  -3.05  -2.67  -416.268330    3      1      
iter:   3  23:33:16  -3.41  -1.98  -414.278945    3      1      
iter:   4  23:35:06  -4.12  -3.36  -414.271494    3      1      
iter:   5  23:36:57  -4.60  -3.82  -414.272654    3      1      
iter:   6  23:38:47  -4.91  -3.81  -414.269425    3      1      
iter:   7  23:40:37  -5.34  -4.12  -414.269511    3      1      
iter:   8  23:42:26  -5.71  -4.18  -414.269776    2      1      
iter:   9  23:44:15  -6.08  -4.28  -414.269868    2      1      
iter:  10  23:46:05  -6.45  -3.93  -414.269739    2      1      
iter:  11  23:47:55  -6.48  -4.37  -414.269562    3      1      
iter:  12  23:49:44  -6.54  -4.58  -414.269687    2      1      
iter:  13  23:51:34  -6.96  -4.65  -414.269427    2      1      
iter:  14  23:53:24  -7.47  -4.70  -414.269582    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961500, -32.881919, 0.244347) |e|*Ang

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

Kinetic:        +18.907763
Potential:     -137.198629
External:        +0.000000
XC:            -305.721979
Entropy (-ST):   -1.552937
Local:          +10.519731
--------------------------
Free energy:   -415.046051
Extrapolated:  -414.269582

Fermi level: -6.33049

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.41083    0.15349
  0   340     -6.38600    0.14118
  0   341     -6.38427    0.14029
  0   342     -6.35334    0.12375

  1   339     -6.30770    0.19701
  1   340     -6.25733    0.14437
  1   341     -6.21927    0.10999
  1   342     -6.21435    0.10596



Forces in eV/Ang:
  0 O     0.00000   -0.01773    1.17348
  1 Pt   -0.00000    0.00358   -0.37817
  2 Pt    0.00000   -0.01910   -0.43568
  3 O    -1.68355   -0.00006   -0.71898
  4 O     1.68355   -0.00006   -0.71898
  5 O     0.00000   -0.01093   -1.39921
  6 O     0.00000   -0.00275    1.76956
  7 Pt   -0.00000    0.01411    0.45053
  8 Pt    0.00000   -0.04202    0.78076
  9 O    -1.58129    0.00069    0.04984
 10 O     1.58129    0.00069    0.04984
 11 O     0.00000   -0.00879   -0.56186
 12 O    -0.00000    0.00748    0.08120
 13 Pt   -0.00000    0.11028   -0.02140
 14 Pt    0.00000   -0.02093    0.00023
 15 O     0.00063    0.01029    0.00393
 16 O    -0.00063    0.01029    0.00393
 17 O     0.00000   -0.02224   -0.40413
 18 O    -0.00000    0.00077    0.02190
 19 Pt    0.00000   -0.04020    0.01617
 20 Pt   -0.00000    0.02833    0.03316
 21 O    -0.13857    0.23659    0.15741
 22 O     0.13857    0.23659    0.15741
 23 O     0.00000   -0.01618   -0.02240
 24 O     0.00000   -0.00008    1.15047
 25 Pt   -0.00000    0.01114   -0.38085
 26 Pt    0.00000   -0.00014   -0.43423
 27 O    -1.69203    0.01367   -0.71836
 28 O     1.69203    0.01367   -0.71836
 29 O    -0.00000    0.05345   -1.38726
 30 O     0.00000   -0.00483    1.83189
 31 Pt   -0.00000    0.01889    0.51052
 32 Pt    0.00000   -0.16730    0.56157
 33 O    -1.61401   -0.01910    0.06910
 34 O     1.61401   -0.01910    0.06910
 35 O     0.00000   -0.03261   -0.52165
 36 O    -0.00000    0.12064   -0.08360
 37 Pt    0.00000   -0.13399   -0.02833
 38 Pt    0.00000   -0.00382   -0.01160
 39 O     0.01138    0.01235    0.01635
 40 O    -0.01138    0.01235    0.01635
 41 O     0.00000    0.00978   -0.01223
 42 O    -0.00000    0.02213   -0.00940
 43 Pt   -0.00000    0.01058    0.00855
 44 Pt    0.00000   -0.04215    0.00909
 45 O    -0.12456   -0.22214    0.14385
 46 O     0.12456   -0.22214    0.14385
 47 O     0.00000   -0.02645   -0.01805
 48 O    -0.00000    0.02173    1.17245
 49 Pt    0.00000   -0.02298   -0.38158
 50 Pt   -0.00000    0.02116   -0.43620
 51 O    -1.69089   -0.01392   -0.71903
 52 O     1.69089   -0.01392   -0.71903
 53 O     0.00000   -0.01921   -1.40258
 54 O     0.00000   -0.00165    1.77491
 55 Pt    0.00000   -0.01208    0.51479
 56 Pt   -0.00000    0.14930    0.63621
 57 O    -1.61270    0.01384    0.09491
 58 O     1.61270    0.01384    0.09491
 59 O     0.00000   -0.02121   -0.51310
 60 O     0.00000   -0.11234   -0.08101
 61 Pt   -0.00000    0.01065   -0.03983
 62 Pt   -0.00000    0.01770   -0.00582
 63 O    -0.00695   -0.00804    0.00239
 64 O     0.00695   -0.00804    0.00239
 65 O     0.00000   -0.00454   -0.00387
 66 O     0.00000    0.00063    0.00213
 67 Pt   -0.00000    0.00652    0.00750
 68 Pt   -0.00000    0.11399   -0.01955
 69 O    -0.00641   -0.00435   -0.00792
 70 O     0.00641   -0.00435   -0.00792
 71 O    -0.00000    0.00908   -0.01544
 72 N     0.00000   -0.09407    0.01763
 73 N     0.00000   -0.06868   -0.00740

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    2.233953   24.590387    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.846767   23.555587    ( 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  00:14:07  -3.29   +inf  -414.272354    3      1      
iter:   2  00:15:57  -3.91  -3.26  -414.394603    3      1      
iter:   3  00:17:47  -4.21  -2.56  -414.273871    2      1      
iter:   4  00:19:37  -4.82  -3.65  -414.270492    3      1      
iter:   5  00:21:27  -5.01  -4.03  -414.270525    3      1      
iter:   6  00:23:16  -5.20  -3.90  -414.270402    3      1      
iter:   7  00:25:06  -5.97  -4.33  -414.270314    2      1      
iter:   8  00:26:56  -6.10  -4.33  -414.270167    2      1      
iter:   9  00:28:47  -6.23  -4.61  -414.270163    3      1      
iter:  10  00:30:38  -6.38  -4.63  -414.270013    2      1      
iter:  11  00:32:29  -7.03  -4.57  -414.270215    2      1      
iter:  12  00:34:20  -7.12  -4.68  -414.270118    2      1      
iter:  13  00:36:10  -7.60  -4.62  -414.270117    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961588, -32.877206, 0.242127) |e|*Ang

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

Kinetic:        +18.861950
Potential:     -137.176010
External:        +0.000000
XC:            -305.699499
Entropy (-ST):   -1.553253
Local:          +10.520068
--------------------------
Free energy:   -415.046744
Extrapolated:  -414.270117

Fermi level: -6.33240

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.41275    0.15349
  0   340     -6.38781    0.14113
  0   341     -6.38607    0.14023
  0   342     -6.35548    0.12387

  1   339     -6.30956    0.19695
  1   340     -6.25913    0.14426
  1   341     -6.22130    0.11008
  1   342     -6.21623    0.10593


