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

User:   hao@node037.cluster
Date:   Sun Dec 19 22:43:02 2021
Arch:   x86_64
Pid:    43401
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:  80

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: -12112426.843907

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): 1

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

9 k-points: 3 x 3 x 1 Monkhorst-Pack grid
5 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   -0.33333333    0.00000000          2/9
   3:     0.33333333    0.00000000    0.00000000          2/9
   4:     0.33333333    0.33333333    0.00000000          2/9

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: 101.65 MiB
  Calculator: 905.24 MiB
    Density: 22.13 MiB
      Arrays: 4.49 MiB
      Localized functions: 15.94 MiB
      Mixer: 1.69 MiB
    Hamiltonian: 3.95 MiB
      Arrays: 2.94 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 1.01 MiB
    Wavefunctions: 879.17 MiB
      Arrays psit_nG: 705.52 MiB
      Eigensolver: 169.34 MiB
      Projections: 2.18 MiB
      Projectors: 2.13 MiB

Total number of cores used: 16
Domain decomposition: 1 x 2 x 8

Number of atoms: 75
Number of atomic orbitals: 492
Number of bands in calculation: 417
Bands to converge: occupied states only
Number of valence electrons: 688

... initialized

Initializing position-dependent things.

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

                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N  O Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.213580    2.020316   25.377100    ( 0.0000,  0.0000,  0.0000)
  73 N      3.192569    1.834002   24.255310    ( 0.0000,  0.0000,  0.0000)
  74 O      3.251608    4.843443   23.007507    ( 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  22:48:13  +0.87   +inf  -545.527025    4      1      
iter:   2  22:52:02  -0.13  -1.04  -501.963001    33     1      
iter:   3  22:55:32  +0.12  -1.11  -694.098017    3      1      
iter:   4  22:59:01  -0.27  -0.96  -433.404498    37     1      
iter:   5  23:02:51  -0.45  -1.38  -430.113232    38     1      
iter:   6  23:06:58  -1.40  -1.39  -428.473704    4      1      
iter:   7  23:11:06  -1.76  -1.40  -424.967847    4      1      
iter:   8  23:15:13  -1.81  -1.46  -422.353125    4      1      
iter:   9  23:19:21  -1.94  -1.48  -423.370295    34     1      
iter:  10  23:23:28  -2.20  -1.50  -420.336166    4      1      
iter:  11  23:27:35  -1.83  -1.54  -419.341517    4      1      
iter:  12  23:31:31  -2.02  -1.65  -419.249220    4      1      
iter:  13  23:35:28  -2.42  -1.72  -419.133450    4      1      
iter:  14  23:39:26  -2.38  -1.77  -419.370204    4      1      
iter:  15  23:43:23  -2.01  -1.84  -422.246167    4      1      
iter:  16  23:47:21  -2.20  -1.79  -418.749721    4      1      
iter:  17  23:51:19  -2.45  -2.25  -418.772543    4      1      
iter:  18  23:55:16  -2.57  -2.27  -418.620296    3      1      
iter:  19  23:59:14  -2.95  -2.39  -418.576346    3      1      
iter:  20  00:03:12  -2.95  -2.46  -418.606743    2      1      
iter:  21  00:07:10  -3.32  -2.44  -418.506352    3      1      
iter:  22  00:11:07  -3.36  -2.59  -418.546508    3      1      
iter:  23  00:14:40  -3.58  -2.57  -418.568078    3      1      
iter:  24  00:18:09  -3.73  -2.52  -418.523676    3      1      
iter:  25  00:21:39  -3.95  -2.66  -418.481884    2      1      
iter:  26  00:25:38  -4.38  -2.91  -418.488958    3      1      
iter:  27  00:29:43  -4.69  -2.85  -418.486030    3      1      
iter:  28  00:33:47  -4.83  -2.88  -418.480950    3      1      
iter:  29  00:37:53  -4.98  -3.04  -418.480153    3      1      
iter:  30  00:41:58  -5.11  -2.98  -418.483014    3      1      
iter:  31  00:46:02  -4.55  -3.02  -418.479645    3      1      
iter:  32  00:50:08  -4.78  -3.42  -418.482525    3      1      
iter:  33  00:54:12  -5.00  -3.24  -418.481713    2      1      
iter:  34  00:58:08  -5.02  -3.34  -418.480318    3      1      
iter:  35  01:02:06  -5.25  -3.51  -418.479642    3      1      
iter:  36  01:06:03  -5.66  -3.73  -418.479770    2      1      
iter:  37  01:10:01  -5.65  -3.77  -418.479626    2      1      
iter:  38  01:13:58  -5.58  -3.77  -418.480536    2      1      
iter:  39  01:17:56  -6.00  -3.73  -418.480275    2      1      
iter:  40  01:21:54  -6.27  -3.69  -418.480519    2      1      
iter:  41  01:25:51  -6.09  -3.88  -418.479991    2      1      
iter:  42  01:29:47  -6.04  -4.22  -418.480278    2      1      
iter:  43  01:33:17  -6.11  -4.32  -418.480236    2      1      
iter:  44  01:36:47  -6.59  -4.49  -418.480165    2      1      
iter:  45  01:40:16  -6.85  -4.40  -418.480121    2      1      
iter:  46  01:44:13  -6.79  -4.34  -418.480245    2      1      
iter:  47  01:48:19  -7.05  -4.66  -418.480153    2      1      
iter:  48  01:52:25  -7.67  -4.75  -418.480141    2      1      

Converged after 48 iterations.

Dipole moment: (-55.908085, -33.287103, -0.240206) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +10.157218
Potential:     -131.804387
External:        +0.000000
XC:            -307.047168
Entropy (-ST):   -1.702515
Local:          +11.065453
--------------------------
Free energy:   -419.331398
Extrapolated:  -418.480141

Fermi level: -6.74070

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.79494    0.14053
  0   343     -6.79219    0.13910
  0   344     -6.73053    0.10547
  0   345     -6.72953    0.10491

  1   342     -6.74636    0.22851
  1   343     -6.67938    0.15615
  1   344     -6.65057    0.12835
  1   345     -6.61685    0.09987



Forces in eV/Ang:
  0 O    -0.00001   -0.01821    1.19297
  1 Pt   -0.00013   -0.00077   -0.41271
  2 Pt   -0.00001   -0.01999   -0.44140
  3 O    -1.67980    0.00019   -0.71762
  4 O     1.67983    0.00019   -0.71764
  5 O     0.00014   -0.06702   -1.36610
  6 O    -0.00008    0.00239    1.76940
  7 Pt   -0.00002    0.01907    0.46495
  8 Pt   -0.00008    0.14932    0.85551
  9 O    -1.58129    0.00271    0.07339
 10 O     1.58120    0.00284    0.07350
 11 O     0.00013    0.01357   -0.60805
 12 O    -0.00049   -0.04240    0.13505
 13 Pt    0.00016    0.31547   -0.12911
 14 Pt    0.00085   -0.01849    0.01101
 15 O     0.01934   -0.00223    0.00924
 16 O    -0.01793   -0.00382    0.00737
 17 O     0.02348    0.16450   -0.88225
 18 O     0.00084   -0.00707    0.01351
 19 Pt    0.00124    0.03433    0.10155
 20 Pt   -0.01422   -0.60610    0.05394
 21 O    -0.30871    0.48598    0.30406
 22 O     0.31128    0.48359    0.29884
 23 O    -0.00511   -0.01357   -0.07468
 24 O     0.00001   -0.00140    1.15912
 25 Pt   -0.00016    0.05743   -0.40603
 26 Pt    0.00001   -0.00128   -0.43449
 27 O    -1.69084    0.01242   -0.71615
 28 O     1.69088    0.01242   -0.71617
 29 O     0.00019    0.04048   -1.43993
 30 O    -0.00002   -0.00021    1.82481
 31 Pt   -0.00003    0.00679    0.53984
 32 Pt    0.00011   -0.13185    0.73147
 33 O    -1.60485   -0.01498    0.03883
 34 O     1.60474   -0.01507    0.03888
 35 O     0.00028   -0.01209   -0.67048
 36 O    -0.00078    0.23498   -0.13229
 37 Pt    0.00037   -0.21510   -0.09138
 38 Pt   -0.00008    0.00761    0.00596
 39 O     0.02367   -0.00430   -0.00235
 40 O    -0.02263   -0.00271   -0.00402
 41 O     0.00038   -0.05159    0.09773
 42 O    -0.00173   -0.02992    0.01772
 43 Pt    0.00274    0.04464   -0.02217
 44 Pt   -0.00145   -0.05367   -0.07718
 45 O    -0.12794   -0.18595    0.32981
 46 O     0.12980   -0.18778    0.32581
 47 O     0.00023   -0.01531   -0.02197
 48 O     0.00002    0.01928    1.18835
 49 Pt   -0.00012   -0.05538   -0.40172
 50 Pt    0.00001    0.02151   -0.44109
 51 O    -1.69110   -0.01276   -0.71678
 52 O     1.69115   -0.01277   -0.71676
 53 O     0.00018    0.02299   -1.37998
 54 O    -0.00005   -0.00332    1.77776
 55 Pt    0.00013   -0.02194    0.52772
 56 Pt    0.00008   -0.00503    0.69323
 57 O    -1.60885    0.00866    0.06805
 58 O     1.60879    0.00865    0.06784
 59 O     0.00022   -0.01267   -0.57850
 60 O    -0.00077   -0.23596   -0.10324
 61 Pt    0.00045   -0.05264   -0.16520
 62 Pt    0.00011    0.00314    0.01483
 63 O    -0.01118   -0.00013    0.00436
 64 O     0.01107   -0.00003    0.00374
 65 O     0.00012   -0.01710    0.04930
 66 O    -0.00092   -0.01200   -0.00193
 67 Pt   -0.00039   -0.00310    0.03187
 68 Pt   -0.00035    0.08267   -0.00183
 69 O     0.02620    0.07944   -0.04261
 70 O    -0.02872    0.07899   -0.04297
 71 O     0.00036   -0.00379   -0.03622
 72 N     0.04410   -0.65069   -4.15416
 73 N     0.11514    0.63857    4.08673
 74 O    -0.00016   -0.25424   -0.01195

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N  O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.213715    2.014962   25.338257    ( 0.0000,  0.0000,  0.0000)
  73 N      3.193751    1.838569   24.287909    ( 0.0000,  0.0000,  0.0000)
  74 O      3.251421    4.841848   23.007386    ( 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  02:05:04  -1.78   +inf  -429.800114    37     1      
iter:   2  02:09:11  -0.91  -1.63  -552.507122    38     1      
iter:   3  02:13:11  -1.28  -1.15  -430.152914    36     1      
iter:   4  02:17:10  -1.98  -1.63  -421.157877    36     1      
iter:   5  02:21:09  -2.35  -1.97  -418.965953    4      1      
iter:   6  02:25:07  -3.00  -2.43  -419.115324    3      1      
iter:   7  02:29:05  -2.62  -2.28  -418.960695    4      1      
iter:   8  02:33:03  -3.22  -2.34  -418.690170    3      1      
iter:   9  02:37:01  -3.30  -2.61  -418.618782    4      1      
iter:  10  02:41:00  -3.59  -2.65  -418.545580    4      1      
iter:  11  02:44:58  -3.42  -2.78  -418.513219    3      1      
iter:  12  02:48:56  -3.59  -3.01  -418.490200    4      1      
iter:  13  02:52:53  -4.01  -2.85  -418.513457    3      1      
iter:  14  02:56:51  -3.78  -2.69  -418.450544    4      1      
iter:  15  03:00:49  -3.78  -3.31  -418.444029    3      1      
iter:  16  03:04:47  -4.20  -3.36  -418.442907    3      1      
iter:  17  03:08:45  -4.43  -3.24  -418.443418    3      1      
iter:  18  03:12:43  -4.67  -3.32  -418.438314    3      1      
iter:  19  03:16:41  -4.88  -3.36  -418.439563    3      1      
iter:  20  03:20:40  -5.08  -3.60  -418.436477    3      1      
iter:  21  03:24:38  -5.10  -3.68  -418.438051    3      1      
iter:  22  03:28:37  -5.41  -3.59  -418.436933    3      1      
iter:  23  03:32:35  -5.67  -3.94  -418.436352    3      1      
iter:  24  03:36:33  -6.09  -3.89  -418.436495    3      1      
iter:  25  03:40:20  -6.29  -4.00  -418.436857    2      1      
iter:  26  03:43:49  -6.51  -4.15  -418.436465    2      1      
iter:  27  03:47:18  -6.59  -4.34  -418.436427    2      1      
iter:  28  03:51:04  -6.56  -4.28  -418.436687    2      1      
iter:  29  03:55:09  -6.84  -4.38  -418.436604    2      1      
iter:  30  03:59:08  -7.07  -4.49  -418.436511    2      1      
iter:  31  04:03:12  -7.28  -4.64  -418.436686    2      1      
iter:  32  04:07:17  -7.45  -4.58  -418.436573    2      1      

Converged after 32 iterations.

Dipole moment: (-55.908385, -33.281998, -0.255180) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +21.795728
Potential:     -140.994194
External:        +0.000000
XC:            -309.449676
Entropy (-ST):   -1.702124
Local:          +11.062631
--------------------------
Free energy:   -419.287635
Extrapolated:  -418.436573

Fermi level: -6.75152

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.80659    0.14095
  0   343     -6.80386    0.13954
  0   344     -6.74108    0.10532
  0   345     -6.74057    0.10503

  1   342     -6.75717    0.22850
  1   343     -6.69055    0.15650
  1   344     -6.66146    0.12842
  1   345     -6.62761    0.09982



Forces in eV/Ang:
  0 O    -0.00001   -0.01821    1.19034
  1 Pt   -0.00013   -0.00085   -0.40942
  2 Pt   -0.00001   -0.02000   -0.43453
  3 O    -1.67629    0.00020   -0.71633
  4 O     1.67631    0.00020   -0.71635
  5 O     0.00014   -0.06698   -1.36685
  6 O    -0.00008    0.00233    1.78457
  7 Pt   -0.00002    0.01909    0.46882
  8 Pt   -0.00008    0.14925    0.85789
  9 O    -1.58073    0.00270    0.07422
 10 O     1.58065    0.00284    0.07432
 11 O     0.00013    0.01354   -0.60696
 12 O    -0.00049   -0.04307    0.13433
 13 Pt    0.00012    0.31671   -0.12471
 14 Pt    0.00085   -0.01839    0.01514
 15 O     0.02018   -0.00219    0.01064
 16 O    -0.01876   -0.00376    0.00876
 17 O     0.02343    0.16513   -0.87593
 18 O     0.00084   -0.00679    0.01099
 19 Pt    0.00134    0.03473    0.09353
 20 Pt   -0.01430   -0.61158    0.03298
 21 O    -0.31371    0.48986    0.29956
 22 O     0.31629    0.48760    0.29456
 23 O    -0.00506   -0.01383   -0.06982
 24 O     0.00001   -0.00142    1.15655
 25 Pt   -0.00016    0.05752   -0.40275
 26 Pt    0.00000   -0.00129   -0.42759
 27 O    -1.68734    0.01236   -0.71488
 28 O     1.68737    0.01237   -0.71491
 29 O     0.00019    0.04033   -1.44110
 30 O    -0.00002   -0.00020    1.84018
 31 Pt   -0.00003    0.00673    0.54378
 32 Pt    0.00011   -0.13140    0.73421
 33 O    -1.60426   -0.01500    0.03960
 34 O     1.60415   -0.01509    0.03965
 35 O     0.00029   -0.01212   -0.66971
 36 O    -0.00079    0.23724   -0.13374
 37 Pt    0.00034   -0.21636   -0.08698
 38 Pt   -0.00008    0.00727    0.00952
 39 O     0.02427   -0.00441   -0.00117
 40 O    -0.02323   -0.00283   -0.00283
 41 O     0.00043   -0.05104    0.10241
 42 O    -0.00175   -0.03070    0.01569
 43 Pt    0.00285    0.04505   -0.03105
 44 Pt   -0.00164   -0.05585   -0.07387
 45 O    -0.13080   -0.18739    0.32096
 46 O     0.13259   -0.18947    0.31682
 47 O     0.00024   -0.01534   -0.01996
 48 O     0.00002    0.01928    1.18577
 49 Pt   -0.00012   -0.05536   -0.39843
 50 Pt    0.00001    0.02153   -0.43417
 51 O    -1.68759   -0.01272   -0.71553
 52 O     1.68764   -0.01273   -0.71551
 53 O     0.00019    0.02301   -1.38109
 54 O    -0.00005   -0.00327    1.79300
 55 Pt    0.00013   -0.02191    0.53165
 56 Pt    0.00008   -0.00516    0.69622
 57 O    -1.60828    0.00869    0.06885
 58 O     1.60822    0.00868    0.06864
 59 O     0.00022   -0.01262   -0.57756
 60 O    -0.00078   -0.23626   -0.10565
 61 Pt    0.00046   -0.05348   -0.16186
 62 Pt    0.00011    0.00350    0.01855
 63 O    -0.01072   -0.00019    0.00516
 64 O     0.01061   -0.00009    0.00454
 65 O     0.00010   -0.01626    0.06397
 66 O    -0.00095   -0.01121   -0.00359
 67 Pt   -0.00035   -0.00291    0.02418
 68 Pt   -0.00041    0.08481   -0.01819
 69 O     0.02301    0.07648   -0.05155
 70 O    -0.02567    0.07631   -0.05211
 71 O     0.00037   -0.00400   -0.03515
 72 N     0.08112    1.01417    6.21139
 73 N    -0.08104   -1.05006   -6.17322
 74 O    -0.00052   -0.26157   -0.00430

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N  O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.214675    2.018611   25.362542    ( 0.0000,  0.0000,  0.0000)
  73 N      3.193662    1.835017   24.266921    ( 0.0000,  0.0000,  0.0000)
  74 O      3.251522    4.838296   23.007298    ( 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  04:17:22  -2.00   +inf  -424.707120    37     1      
iter:   2  04:21:19  -1.34  -1.80  -497.245259    4      1      
iter:   3  04:25:18  -1.76  -1.19  -419.250333    36     1      
iter:   4  04:29:15  -2.34  -2.20  -419.011533    4      1      
iter:   5  04:33:13  -2.97  -2.37  -418.740989    3      1      
iter:   6  04:37:10  -3.38  -2.74  -418.694746    4      1      
iter:   7  04:41:08  -3.94  -2.82  -418.706591    3      1      
iter:   8  04:45:06  -4.07  -2.66  -418.657677    3      1      
iter:   9  04:49:04  -4.03  -2.89  -418.659846    4      1      
iter:  10  04:52:58  -3.36  -2.70  -418.574974    4      1      
iter:  11  04:56:27  -3.53  -3.05  -418.560137    3      1      
iter:  12  04:59:56  -3.85  -3.35  -418.562727    3      1      
iter:  13  05:03:48  -4.33  -3.25  -418.558836    3      1      
iter:  14  05:07:54  -4.52  -3.17  -418.556811    3      1      
iter:  15  05:12:00  -4.70  -3.22  -418.554122    3      1      
iter:  16  05:16:07  -4.83  -3.37  -418.552899    2      1      
iter:  17  05:20:13  -5.00  -3.48  -418.553766    2      1      
iter:  18  05:24:20  -5.46  -3.69  -418.552707    3      1      
iter:  19  05:28:26  -5.31  -3.69  -418.553796    3      1      
iter:  20  05:32:23  -5.11  -3.65  -418.551995    3      1      
iter:  21  05:36:20  -5.35  -3.67  -418.551330    3      1      
iter:  22  05:40:17  -5.75  -3.90  -418.550968    2      1      
iter:  23  05:44:15  -6.33  -4.10  -418.551167    2      1      
iter:  24  05:48:12  -6.29  -4.02  -418.550809    2      1      
iter:  25  05:52:09  -6.64  -4.35  -418.550754    2      1      
iter:  26  05:56:06  -6.96  -4.28  -418.550985    2      1      
iter:  27  06:00:02  -7.19  -4.42  -418.550898    2      1      
iter:  28  06:03:59  -7.06  -4.26  -418.550694    2      1      
iter:  29  06:07:56  -7.25  -4.59  -418.550856    2      1      
iter:  30  06:11:53  -7.29  -4.52  -418.550874    2      1      
iter:  31  06:15:22  -7.30  -4.48  -418.550671    2      1      
iter:  32  06:18:51  -7.20  -4.90  -418.550806    2      1      
iter:  33  06:22:24  -8.09  -4.77  -418.550716    2      1      

Converged after 33 iterations.

Dipole moment: (-55.908237, -33.286760, -0.243486) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +13.506774
Potential:     -134.405509
External:        +0.000000
XC:            -307.854379
Entropy (-ST):   -1.702174
Local:          +11.053484
--------------------------
Free energy:   -419.401803
Extrapolated:  -418.550716

Fermi level: -6.74368

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.79809    0.14061
  0   343     -6.79534    0.13919
  0   344     -6.73356    0.10549
  0   345     -6.73257    0.10494

  1   342     -6.74938    0.22855
  1   343     -6.68246    0.15625
  1   344     -6.65367    0.12846
  1   345     -6.61980    0.09984



Forces in eV/Ang:
  0 O    -0.00001   -0.01820    1.19001
  1 Pt   -0.00013   -0.00081   -0.41256
  2 Pt   -0.00001   -0.01999   -0.44176
  3 O    -1.67829    0.00019   -0.71765
  4 O     1.67831    0.00020   -0.71767
  5 O     0.00014   -0.06704   -1.36571
  6 O    -0.00008    0.00234    1.77026
  7 Pt   -0.00002    0.01905    0.46557
  8 Pt   -0.00008    0.14942    0.85545
  9 O    -1.58071    0.00273    0.07367
 10 O     1.58063    0.00286    0.07377
 11 O     0.00013    0.01352   -0.60733
 12 O    -0.00050   -0.04237    0.13548
 13 Pt    0.00014    0.31600   -0.12939
 14 Pt    0.00085   -0.01849    0.01171
 15 O     0.01898   -0.00218    0.00964
 16 O    -0.01757   -0.00375    0.00776
 17 O     0.02352    0.16515   -0.88199
 18 O     0.00084   -0.00718    0.01364
 19 Pt    0.00126    0.03410    0.10347
 20 Pt   -0.01425   -0.60445    0.06067
 21 O    -0.30915    0.48598    0.30808
 22 O     0.31174    0.48359    0.30292
 23 O    -0.00516   -0.01350   -0.07392
 24 O     0.00001   -0.00142    1.15616
 25 Pt   -0.00016    0.05750   -0.40587
 26 Pt    0.00000   -0.00129   -0.43482
 27 O    -1.68933    0.01239   -0.71619
 28 O     1.68937    0.01240   -0.71621
 29 O     0.00019    0.04042   -1.43959
 30 O    -0.00002   -0.00020    1.82572
 31 Pt   -0.00003    0.00676    0.54044
 32 Pt    0.00011   -0.13161    0.73176
 33 O    -1.60422   -0.01501    0.03906
 34 O     1.60411   -0.01511    0.03911
 35 O     0.00028   -0.01207   -0.66981
 36 O    -0.00079    0.23545   -0.13185
 37 Pt    0.00035   -0.21671   -0.09042
 38 Pt   -0.00007    0.00780    0.00665
 39 O     0.02330   -0.00435   -0.00235
 40 O    -0.02225   -0.00276   -0.00401
 41 O     0.00040   -0.04792    0.09813
 42 O    -0.00173   -0.02985    0.01778
 43 Pt    0.00276    0.04533   -0.02009
 44 Pt   -0.00153   -0.06225   -0.07259
 45 O    -0.12747   -0.18842    0.32583
 46 O     0.12930   -0.19031    0.32173
 47 O     0.00021   -0.01621   -0.01902
 48 O     0.00002    0.01925    1.18538
 49 Pt   -0.00012   -0.05533   -0.40158
 50 Pt    0.00001    0.02152   -0.44141
 51 O    -1.68960   -0.01274   -0.71682
 52 O     1.68965   -0.01275   -0.71680
 53 O     0.00018    0.02293   -1.37975
 54 O    -0.00005   -0.00327    1.77861
 55 Pt    0.00013   -0.02193    0.52835
 56 Pt    0.00008   -0.00492    0.69388
 57 O    -1.60828    0.00869    0.06827
 58 O     1.60822    0.00868    0.06806
 59 O     0.00022   -0.01263   -0.57791
 60 O    -0.00078   -0.23476   -0.10399
 61 Pt    0.00046   -0.05370   -0.16550
 62 Pt    0.00011    0.00308    0.01553
 63 O    -0.01158   -0.00025    0.00478
 64 O     0.01147   -0.00015    0.00415
 65 O     0.00012   -0.01751    0.04936
 66 O    -0.00092   -0.01203   -0.00214
 67 Pt   -0.00036   -0.00268    0.03379
 68 Pt   -0.00038    0.08409    0.00280
 69 O     0.02345    0.07628   -0.03656
 70 O    -0.02608    0.07598   -0.03696
 71 O     0.00036   -0.00340   -0.03358
 72 N     0.03163   -0.18015   -0.92409
 73 N     0.07865    0.11299    0.89256
 74 O    -0.00055   -0.26350   -0.00944

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N  O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.215364    2.017528   25.357492    ( 0.0000,  0.0000,  0.0000)
  73 N      3.194606    1.835275   24.271703    ( 0.0000,  0.0000,  0.0000)
  74 O      3.251519    4.834042   23.007151    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:31:11  -3.39   +inf  -418.797086    4      1      
iter:   2  06:35:15  -2.54  -2.42  -424.371737    4      1      
iter:   3  06:39:20  -2.67  -1.79  -419.197137    4      1      
iter:   4  06:43:24  -3.29  -2.20  -418.640871    4      1      
iter:   5  06:47:28  -4.02  -2.70  -418.575737    3      1      
iter:   6  06:51:31  -4.22  -2.94  -418.563001    3      1      
iter:   7  06:55:25  -4.67  -3.33  -418.559635    3      1      
iter:   8  06:59:22  -4.84  -3.31  -418.557544    3      1      
iter:   9  07:03:18  -4.91  -3.73  -418.555399    3      1      
iter:  10  07:07:14  -4.69  -3.82  -418.556333    3      1      
iter:  11  07:11:08  -4.99  -3.56  -418.554667    3      1      
iter:  12  07:14:37  -5.64  -4.07  -418.555272    2      1      
iter:  13  07:18:06  -6.39  -4.05  -418.554516    2      1      
iter:  14  07:21:34  -6.21  -3.97  -418.554576    3      1      
iter:  15  07:25:01  -5.80  -4.08  -418.554993    3      1      
iter:  16  07:28:41  -6.20  -4.05  -418.554903    2      1      
iter:  17  07:32:36  -6.40  -4.31  -418.554517    3      1      
iter:  18  07:36:31  -6.45  -4.45  -418.554784    3      1      
iter:  19  07:40:25  -6.77  -4.51  -418.554755    2      1      
iter:  20  07:44:20  -6.93  -4.25  -418.554573    2      1      
iter:  21  07:48:10  -7.09  -4.75  -418.554564    2      1      
iter:  22  07:51:59  -7.29  -4.91  -418.554578    2      1      
iter:  23  07:55:49  -7.95  -5.10  -418.554565    2      1      

Converged after 23 iterations.

Dipole moment: (-55.908158, -33.282834, -0.248688) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +15.246722
Potential:     -135.811169
External:        +0.000000
XC:            -308.196650
Entropy (-ST):   -1.701919
Local:          +11.057491
--------------------------
Free energy:   -419.405524
Extrapolated:  -418.554565

Fermi level: -6.74768

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.80202    0.14058
  0   343     -6.79927    0.13915
  0   344     -6.73769    0.10557
  0   345     -6.73659    0.10495

  1   342     -6.75337    0.22855
  1   343     -6.68643    0.15622
  1   344     -6.65775    0.12853
  1   345     -6.62377    0.09982



Forces in eV/Ang:
  0 O    -0.00001   -0.01822    1.19131
  1 Pt   -0.00013   -0.00082   -0.41276
  2 Pt   -0.00001   -0.01999   -0.44090
  3 O    -1.67920    0.00019   -0.71775
  4 O     1.67922    0.00020   -0.71777
  5 O     0.00014   -0.06711   -1.36621
  6 O    -0.00008    0.00239    1.77110
  7 Pt   -0.00002    0.01905    0.46568
  8 Pt   -0.00008    0.14964    0.85535
  9 O    -1.58142    0.00274    0.07376
 10 O     1.58133    0.00288    0.07387
 11 O     0.00013    0.01355   -0.60798
 12 O    -0.00050   -0.04133    0.13608
 13 Pt    0.00012    0.31580   -0.12949
 14 Pt    0.00085   -0.01844    0.01142
 15 O     0.01896   -0.00219    0.00957
 16 O    -0.01754   -0.00376    0.00769
 17 O     0.02342    0.16482   -0.88104
 18 O     0.00084   -0.00706    0.01323
 19 Pt    0.00125    0.03461    0.10380
 20 Pt   -0.01409   -0.60455    0.05265
 21 O    -0.30978    0.48640    0.30720
 22 O     0.31236    0.48403    0.30209
 23 O    -0.00510   -0.01369   -0.07220
 24 O     0.00001   -0.00144    1.15744
 25 Pt   -0.00016    0.05752   -0.40607
 26 Pt    0.00000   -0.00129   -0.43397
 27 O    -1.69024    0.01240   -0.71628
 28 O     1.69027    0.01240   -0.71631
 29 O     0.00019    0.04039   -1.44025
 30 O    -0.00002   -0.00021    1.82648
 31 Pt   -0.00003    0.00671    0.54058
 32 Pt    0.00011   -0.13149    0.73194
 33 O    -1.60494   -0.01501    0.03916
 34 O     1.60483   -0.01511    0.03921
 35 O     0.00028   -0.01206   -0.67048
 36 O    -0.00078    0.23583   -0.13219
 37 Pt    0.00034   -0.21766   -0.09090
 38 Pt   -0.00007    0.00781    0.00627
 39 O     0.02323   -0.00449   -0.00238
 40 O    -0.02219   -0.00290   -0.00404
 41 O     0.00040   -0.04461    0.09888
 42 O    -0.00173   -0.03020    0.01745
 43 Pt    0.00273    0.04493   -0.01920
 44 Pt   -0.00152   -0.06945   -0.07143
 45 O    -0.12639   -0.19053    0.32390
 46 O     0.12823   -0.19244    0.31981
 47 O     0.00022   -0.01664   -0.01898
 48 O     0.00002    0.01924    1.18666
 49 Pt   -0.00012   -0.05528   -0.40181
 50 Pt    0.00001    0.02151   -0.44054
 51 O    -1.69052   -0.01274   -0.71692
 52 O     1.69056   -0.01275   -0.71690
 53 O     0.00018    0.02292   -1.38043
 54 O    -0.00005   -0.00330    1.77937
 55 Pt    0.00013   -0.02192    0.52846
 56 Pt    0.00008   -0.00491    0.69417
 57 O    -1.60901    0.00869    0.06839
 58 O     1.60896    0.00868    0.06818
 59 O     0.00021   -0.01267   -0.57855
 60 O    -0.00076   -0.23464   -0.10432
 61 Pt    0.00046   -0.05422   -0.16609
 62 Pt    0.00011    0.00313    0.01519
 63 O    -0.01153   -0.00020    0.00471
 64 O     0.01143   -0.00010    0.00409
 65 O     0.00011   -0.01746    0.05068
 66 O    -0.00092   -0.01158   -0.00229
 67 Pt   -0.00036   -0.00235    0.03360
 68 Pt   -0.00038    0.08646    0.00140
 69 O     0.02172    0.07298   -0.03583
 70 O    -0.02436    0.07270   -0.03621
 71 O     0.00036   -0.00316   -0.03329
 72 N     0.04100    0.05235    0.44470
 73 N     0.05207   -0.10748   -0.44389
 74 O    -0.00097   -0.26494   -0.00612

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N  O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.216200    2.017845   25.362248    ( 0.0000,  0.0000,  0.0000)
  73 N      3.195393    1.834299   24.268351    ( 0.0000,  0.0000,  0.0000)
  74 O      3.251559    4.829369   23.007017    ( 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  08:17:46  -3.53   +inf  -418.674420    4      1      
iter:   2  08:21:12  -2.81  -2.54  -422.722056    4      1      
iter:   3  08:24:38  -3.05  -1.82  -418.592708    3      1      
iter:   4  08:28:05  -3.93  -2.94  -418.588833    3      1      
iter:   5  08:31:58  -4.27  -2.88  -418.566282    3      1      
iter:   6  08:35:53  -4.60  -3.43  -418.560274    3      1      
iter:   7  08:39:48  -5.14  -3.75  -418.562345    3      1      
iter:   8  08:43:44  -5.27  -3.39  -418.560890    3      1      
iter:   9  08:47:39  -5.28  -3.40  -418.557177    3      1      
iter:  10  08:51:29  -5.03  -3.86  -418.556204    3      1      
iter:  11  08:55:19  -5.16  -3.61  -418.556913    3      1      
iter:  12  08:59:10  -5.26  -3.68  -418.555161    3      1      
iter:  13  09:03:00  -5.99  -3.93  -418.555095    3      1      
iter:  14  09:06:51  -6.17  -4.20  -418.555185    3      1      
iter:  15  09:10:43  -6.05  -4.13  -418.555051    2      1      
iter:  16  09:14:34  -6.27  -4.41  -418.555180    3      1      
iter:  17  09:18:24  -6.59  -4.55  -418.555116    3      1      
iter:  18  09:22:14  -6.79  -4.58  -418.555178    3      1      
iter:  19  09:25:52  -6.91  -4.63  -418.554931    3      1      
iter:  20  09:29:18  -7.51  -4.94  -418.555024    2      1      

Converged after 20 iterations.

Dipole moment: (-55.908049, -33.285788, -0.243867) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.058584
Potential:     -134.885609
External:        +0.000000
XC:            -307.931364
Entropy (-ST):   -1.701484
Local:          +11.054106
--------------------------
Free energy:   -419.405766
Extrapolated:  -418.555024

Fermi level: -6.74375

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.79824    0.14066
  0   343     -6.79549    0.13923
  0   344     -6.73381    0.10559
  0   345     -6.73274    0.10500

  1   342     -6.74945    0.22855
  1   343     -6.68257    0.15628
  1   344     -6.65392    0.12862
  1   345     -6.61979    0.09978



Forces in eV/Ang:
  0 O    -0.00001   -0.01823    1.19270
  1 Pt   -0.00013   -0.00086   -0.41168
  2 Pt   -0.00001   -0.02000   -0.44035
  3 O    -1.67857    0.00020   -0.71690
  4 O     1.67859    0.00020   -0.71693
  5 O     0.00014   -0.06716   -1.36652
  6 O    -0.00008    0.00251    1.77164
  7 Pt   -0.00002    0.01900    0.46598
  8 Pt   -0.00008    0.14987    0.85502
  9 O    -1.58113    0.00275    0.07384
 10 O     1.58104    0.00288    0.07395
 11 O     0.00013    0.01354   -0.60787
 12 O    -0.00050   -0.04036    0.13634
 13 Pt    0.00011    0.31581   -0.12796
 14 Pt    0.00085   -0.01865    0.01253
 15 O     0.01913   -0.00225    0.00979
 16 O    -0.01771   -0.00382    0.00791
 17 O     0.02347    0.16459   -0.87806
 18 O     0.00082   -0.00665    0.01364
 19 Pt    0.00126    0.03370    0.09606
 20 Pt   -0.01408   -0.60345    0.05362
 21 O    -0.31074    0.48602    0.29888
 22 O     0.31333    0.48370    0.29386
 23 O    -0.00493   -0.01391   -0.07529
 24 O     0.00001   -0.00146    1.15880
 25 Pt   -0.00016    0.05756   -0.40494
 26 Pt    0.00000   -0.00129   -0.43337
 27 O    -1.68959    0.01237   -0.71543
 28 O     1.68962    0.01238   -0.71545
 29 O     0.00019    0.04036   -1.44068
 30 O    -0.00002   -0.00022    1.82708
 31 Pt   -0.00003    0.00667    0.54072
 32 Pt    0.00011   -0.13149    0.73190
 33 O    -1.60464   -0.01504    0.03921
 34 O     1.60453   -0.01513    0.03926
 35 O     0.00028   -0.01205   -0.67069
 36 O    -0.00079    0.23588   -0.13203
 37 Pt    0.00034   -0.21870   -0.08923
 38 Pt   -0.00007    0.00785    0.00723
 39 O     0.02360   -0.00460   -0.00209
 40 O    -0.02255   -0.00302   -0.00376
 41 O     0.00040   -0.04125    0.09853
 42 O    -0.00173   -0.03036    0.01728
 43 Pt    0.00273    0.04594   -0.02600
 44 Pt   -0.00146   -0.07581   -0.07095
 45 O    -0.12587   -0.19231    0.31476
 46 O     0.12776   -0.19420    0.31079
 47 O     0.00020   -0.01540   -0.02348
 48 O     0.00002    0.01922    1.18804
 49 Pt   -0.00012   -0.05522   -0.40070
 50 Pt    0.00001    0.02153   -0.43995
 51 O    -1.68987   -0.01272   -0.71607
 52 O     1.68991   -0.01273   -0.71606
 53 O     0.00019    0.02288   -1.38086
 54 O    -0.00005   -0.00341    1.77994
 55 Pt    0.00013   -0.02187    0.52866
 56 Pt    0.00008   -0.00477    0.69441
 57 O    -1.60871    0.00872    0.06844
 58 O     1.60865    0.00871    0.06823
 59 O     0.00021   -0.01268   -0.57842
 60 O    -0.00078   -0.23407   -0.10441
 61 Pt    0.00046   -0.05505   -0.16584
 62 Pt    0.00011    0.00342    0.01588
 63 O    -0.01123   -0.00014    0.00483
 64 O     0.01112   -0.00004    0.00421
 65 O     0.00010   -0.01723    0.05098
 66 O    -0.00092   -0.01160   -0.00214
 67 Pt   -0.00040   -0.00204    0.02833
 68 Pt   -0.00036    0.08875   -0.00772
 69 O     0.01876    0.06920   -0.03816
 70 O    -0.02134    0.06886   -0.03856
 71 O     0.00035   -0.00458   -0.03753
 72 N     0.02640   -0.14864   -0.72326
 73 N     0.08481    0.06743    0.68439
 74 O    -0.00088   -0.25570   -0.00415

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N  O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.216991    2.017380   25.362826    ( 0.0000,  0.0000,  0.0000)
  73 N      3.196479    1.833693   24.268529    ( 0.0000,  0.0000,  0.0000)
  74 O      3.251591    4.824306   23.006898    ( 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  10:05:42  -4.34   +inf  -418.569704    3      1      
iter:   2  10:09:33  -3.61  -2.97  -419.324252    3      1      
iter:   3  10:13:25  -3.80  -2.15  -418.558473    2      1      
iter:   4  10:17:16  -4.69  -3.89  -418.556643    3      1      
iter:   5  10:21:07  -5.10  -3.85  -418.556532    2      1      
iter:   6  10:24:58  -5.61  -4.44  -418.556358    2      1      
iter:   7  10:28:48  -5.95  -4.53  -418.556162    2      1      
iter:   8  10:32:39  -6.63  -4.82  -418.556365    2      1      
iter:   9  10:36:31  -6.86  -4.48  -418.556213    2      1      
iter:  10  10:40:22  -6.97  -4.63  -418.556214    2      1      
iter:  11  10:44:13  -7.49  -4.99  -418.556136    2      1      

Converged after 11 iterations.

Dipole moment: (-55.908047, -33.284248, -0.245165) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +13.851023
Potential:     -134.702077
External:        +0.000000
XC:            -307.908496
Entropy (-ST):   -1.701388
Local:          +11.054108
--------------------------
Free energy:   -419.406830
Extrapolated:  -418.556136

Fermi level: -6.74479

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.79918    0.14060
  0   343     -6.79642    0.13917
  0   344     -6.73497    0.10566
  0   345     -6.73374    0.10498

  1   342     -6.75053    0.22860
  1   343     -6.68359    0.15627
  1   344     -6.65507    0.12873
  1   345     -6.62086    0.09980



Forces in eV/Ang:
  0 O    -0.00001   -0.01821    1.19154
  1 Pt   -0.00013   -0.00087   -0.41225
  2 Pt   -0.00001   -0.01998   -0.44081
  3 O    -1.67901    0.00020   -0.71781
  4 O     1.67903    0.00021   -0.71783
  5 O     0.00014   -0.06721   -1.36651
  6 O    -0.00007    0.00245    1.77253
  7 Pt   -0.00002    0.01900    0.46553
  8 Pt   -0.00008    0.14999    0.85454
  9 O    -1.58127    0.00277    0.07323
 10 O     1.58118    0.00290    0.07334
 11 O     0.00012    0.01352   -0.60927
 12 O    -0.00051   -0.03958    0.13600
 13 Pt    0.00010    0.31552   -0.12964
 14 Pt    0.00086   -0.01840    0.01160
 15 O     0.01899   -0.00222    0.00896
 16 O    -0.01757   -0.00379    0.00708
 17 O     0.02347    0.16466   -0.87897
 18 O     0.00087   -0.00677    0.01224
 19 Pt    0.00145    0.03416    0.10152
 20 Pt   -0.01434   -0.60162    0.05484
 21 O    -0.30999    0.48547    0.30431
 22 O     0.31245    0.48337    0.29970
 23 O    -0.00446   -0.01414   -0.07264
 24 O     0.00001   -0.00149    1.15768
 25 Pt   -0.00016    0.05761   -0.40558
 26 Pt    0.00001   -0.00130   -0.43387
 27 O    -1.69003    0.01239   -0.71634
 28 O     1.69006    0.01239   -0.71637
 29 O     0.00019    0.04036   -1.44084
 30 O    -0.00002   -0.00021    1.82786
 31 Pt   -0.00003    0.00669    0.54039
 32 Pt    0.00011   -0.13140    0.73172
 33 O    -1.60476   -0.01507    0.03861
 34 O     1.60465   -0.01517    0.03866
 35 O     0.00028   -0.01204   -0.67201
 36 O    -0.00079    0.23580   -0.13255
 37 Pt    0.00033   -0.21947   -0.08997
 38 Pt   -0.00008    0.00783    0.00648
 39 O     0.02330   -0.00467   -0.00298
 40 O    -0.02225   -0.00308   -0.00464
 41 O     0.00040   -0.03839    0.09791
 42 O    -0.00172   -0.03065    0.01612
 43 Pt    0.00298    0.04587   -0.02103
 44 Pt   -0.00156   -0.08271   -0.06519
 45 O    -0.12320   -0.19511    0.31097
 46 O     0.12500   -0.19709    0.30741
 47 O     0.00033   -0.01584   -0.01995
 48 O     0.00002    0.01919    1.18688
 49 Pt   -0.00012   -0.05520   -0.40135
 50 Pt    0.00001    0.02151   -0.44036
 51 O    -1.69032   -0.01273   -0.71699
 52 O     1.69037   -0.01274   -0.71697
 53 O     0.00019    0.02282   -1.38101
 54 O    -0.00005   -0.00335    1.78081
 55 Pt    0.00013   -0.02193    0.52826
 56 Pt    0.00008   -0.00460    0.69418
 57 O    -1.60885    0.00874    0.06780
 58 O     1.60879    0.00873    0.06759
 59 O     0.00021   -0.01266   -0.57990
 60 O    -0.00077   -0.23287   -0.10593
 61 Pt    0.00047   -0.05547   -0.16793
 62 Pt    0.00011    0.00328    0.01491
 63 O    -0.01147   -0.00023    0.00417
 64 O     0.01136   -0.00013    0.00355
 65 O     0.00011   -0.01725    0.04881
 66 O    -0.00093   -0.01126   -0.00359
 67 Pt   -0.00035   -0.00208    0.03345
 68 Pt   -0.00040    0.08956    0.00215
 69 O     0.01696    0.06641   -0.02734
 70 O    -0.01956    0.06602   -0.02756
 71 O     0.00041   -0.00392   -0.03350
 72 N     0.01969   -0.15080   -0.75852
 73 N     0.08820    0.07389    0.72833
 74 O    -0.00086   -0.24103   -0.00640

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N  O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.217763    2.016809   25.363191    ( 0.0000,  0.0000,  0.0000)
  73 N      3.197797    1.833000   24.269021    ( 0.0000,  0.0000,  0.0000)
  74 O      3.251628    4.818777   23.006748    ( 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  12:01:09  -4.30   +inf  -418.560933    3      1      
iter:   2  12:04:45  -4.91  -3.66  -418.558198    3      1      
iter:   3  12:08:22  -5.15  -3.24  -418.559737    3      1      
iter:   4  12:11:59  -5.68  -3.37  -418.557637    3      1      
iter:   5  12:15:36  -6.42  -4.29  -418.557782    2      1      
iter:   6  12:19:13  -6.58  -4.71  -418.557564    2      1      
iter:   7  12:22:50  -6.75  -4.60  -418.557711    2      1      
iter:   8  12:26:27  -7.20  -4.92  -418.557670    2      1      
iter:   9  12:30:05  -7.25  -4.73  -418.557706    2      1      
iter:  10  12:33:41  -7.66  -4.76  -418.557706    2      1      

Converged after 10 iterations.

Dipole moment: (-55.907861, -33.283138, -0.245656) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +13.882292
Potential:     -134.730544
External:        +0.000000
XC:            -307.913620
Entropy (-ST):   -1.700990
Local:          +11.054660
--------------------------
Free energy:   -419.408200
Extrapolated:  -418.557706

Fermi level: -6.74549

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.79972    0.14052
  0   343     -6.79695    0.13909
  0   344     -6.73592    0.10580
  0   345     -6.73447    0.10500

  1   342     -6.75120    0.22856
  1   343     -6.68421    0.15619
  1   344     -6.65585    0.12880
  1   345     -6.62148    0.09975



Forces in eV/Ang:
  0 O    -0.00001   -0.01827    1.19170
  1 Pt   -0.00013   -0.00088   -0.41280
  2 Pt   -0.00001   -0.02002   -0.44111
  3 O    -1.67986    0.00020   -0.71785
  4 O     1.67988    0.00020   -0.71788
  5 O     0.00014   -0.06729   -1.36619
  6 O    -0.00007    0.00246    1.76879
  7 Pt   -0.00002    0.01899    0.46465
  8 Pt   -0.00008    0.15029    0.85380
  9 O    -1.58141    0.00282    0.07339
 10 O     1.58133    0.00295    0.07349
 11 O     0.00012    0.01355   -0.60842
 12 O    -0.00051   -0.03879    0.13744
 13 Pt    0.00010    0.31512   -0.13022
 14 Pt    0.00084   -0.01852    0.01141
 15 O     0.01906   -0.00236    0.00950
 16 O    -0.01764   -0.00392    0.00762
 17 O     0.02357    0.16487   -0.88076
 18 O     0.00088   -0.00707    0.01416
 19 Pt    0.00142    0.03395    0.10039
 20 Pt   -0.01433   -0.60031    0.05055
 21 O    -0.30960    0.48514    0.30391
 22 O     0.31207    0.48308    0.29960
 23 O    -0.00423   -0.01470   -0.07486
 24 O     0.00001   -0.00150    1.15785
 25 Pt   -0.00016    0.05768   -0.40601
 26 Pt    0.00000   -0.00129   -0.43407
 27 O    -1.69084    0.01237   -0.71637
 28 O     1.69087    0.01238   -0.71639
 29 O     0.00019    0.04031   -1.44040
 30 O    -0.00002   -0.00029    1.82434
 31 Pt   -0.00003    0.00678    0.53955
 32 Pt    0.00011   -0.13137    0.73088
 33 O    -1.60491   -0.01503    0.03879
 34 O     1.60480   -0.01513    0.03884
 35 O     0.00028   -0.01207   -0.67091
 36 O    -0.00081    0.23599   -0.13182
 37 Pt    0.00034   -0.22068   -0.08960
 38 Pt   -0.00008    0.00811    0.00570
 39 O     0.02347   -0.00449   -0.00259
 40 O    -0.02244   -0.00290   -0.00425
 41 O     0.00041   -0.03416    0.09958
 42 O    -0.00172   -0.03071    0.01780
 43 Pt    0.00296    0.04606   -0.02146
 44 Pt   -0.00149   -0.09041   -0.06182
 45 O    -0.12235   -0.19692    0.30674
 46 O     0.12416   -0.19887    0.30326
 47 O     0.00037   -0.01528   -0.02074
 48 O     0.00002    0.01921    1.18703
 49 Pt   -0.00012   -0.05518   -0.40185
 50 Pt    0.00001    0.02154   -0.44066
 51 O    -1.69116   -0.01271   -0.71703
 52 O     1.69121   -0.01272   -0.71701
 53 O     0.00019    0.02282   -1.38092
 54 O    -0.00005   -0.00329    1.77693
 55 Pt    0.00013   -0.02206    0.52747
 56 Pt    0.00009   -0.00449    0.69405
 57 O    -1.60901    0.00868    0.06798
 58 O     1.60895    0.00867    0.06777
 59 O     0.00021   -0.01266   -0.57906
 60 O    -0.00078   -0.23256   -0.10532
 61 Pt    0.00048   -0.05629   -0.16819
 62 Pt    0.00010    0.00325    0.01486
 63 O    -0.01136   -0.00035    0.00464
 64 O     0.01126   -0.00025    0.00403
 65 O     0.00011   -0.01776    0.04533
 66 O    -0.00093   -0.01072   -0.00200
 67 Pt   -0.00038   -0.00164    0.03444
 68 Pt   -0.00030    0.09130    0.00183
 69 O     0.01358    0.06171   -0.02332
 70 O    -0.01622    0.06130   -0.02340
 71 O     0.00042   -0.00415   -0.03466
 72 N     0.01007   -0.14143   -0.74570
 73 N     0.08107    0.07488    0.71448
 74 O    -0.00085   -0.17697   -0.01514

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N  O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.218498    2.016285   25.363933    ( 0.0000,  0.0000,  0.0000)
  73 N      3.199210    1.832279   24.269553    ( 0.0000,  0.0000,  0.0000)
  74 O      3.251675    4.813342   23.006459    ( 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  14:02:01  -4.26   +inf  -418.584881    3      1      
iter:   2  14:05:44  -3.45  -2.88  -419.636283    3      1      
iter:   3  14:09:27  -3.67  -2.08  -418.562086    3      1      
iter:   4  14:13:10  -4.70  -3.37  -418.560411    3      1      
iter:   5  14:16:53  -5.12  -3.79  -418.558910    2      1      
iter:   6  14:20:35  -5.57  -4.12  -418.559164    2      1      
iter:   7  14:24:18  -6.00  -4.37  -418.558833    2      1      
iter:   8  14:28:01  -6.41  -4.71  -418.558776    2      1      
iter:   9  14:31:44  -6.69  -4.82  -418.558754    2      1      
iter:  10  14:35:26  -7.33  -4.67  -418.558810    2      1      
iter:  11  14:39:02  -7.27  -4.46  -418.558668    2      1      
iter:  12  14:42:43  -7.66  -5.04  -418.558779    2      1      

Converged after 12 iterations.

Dipole moment: (-55.907831, -33.282906, -0.245702) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +13.802317
Potential:     -134.661859
External:        +0.000000
XC:            -307.903074
Entropy (-ST):   -1.700502
Local:          +11.054087
--------------------------
Free energy:   -419.409030
Extrapolated:  -418.558779

Fermi level: -6.74545

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.79991    0.14064
  0   343     -6.79715    0.13921
  0   344     -6.73582    0.10577
  0   345     -6.73457    0.10507

  1   342     -6.75115    0.22856
  1   343     -6.68429    0.15631
  1   344     -6.65595    0.12893
  1   345     -6.62141    0.09972



Forces in eV/Ang:
  0 O    -0.00001   -0.01828    1.19130
  1 Pt   -0.00013   -0.00091   -0.41303
  2 Pt   -0.00001   -0.02000   -0.44230
  3 O    -1.67890    0.00021   -0.71790
  4 O     1.67893    0.00021   -0.71793
  5 O     0.00014   -0.06739   -1.36558
  6 O    -0.00007    0.00237    1.77175
  7 Pt   -0.00002    0.01897    0.46579
  8 Pt   -0.00008    0.15038    0.85421
  9 O    -1.58110    0.00282    0.07432
 10 O     1.58101    0.00295    0.07443
 11 O     0.00012    0.01349   -0.60701
 12 O    -0.00051   -0.03807    0.13866
 13 Pt    0.00006    0.31513   -0.12851
 14 Pt    0.00086   -0.01831    0.01290
 15 O     0.01911   -0.00231    0.01009
 16 O    -0.01768   -0.00388    0.00820
 17 O     0.02342    0.16477   -0.87565
 18 O     0.00090   -0.00663    0.01377
 19 Pt    0.00142    0.03400    0.10267
 20 Pt   -0.01389   -0.59741    0.05574
 21 O    -0.31042    0.48440    0.30384
 22 O     0.31285    0.48239    0.29946
 23 O    -0.00413   -0.01440   -0.07345
 24 O     0.00001   -0.00154    1.15744
 25 Pt   -0.00016    0.05773   -0.40631
 26 Pt    0.00000   -0.00130   -0.43529
 27 O    -1.68991    0.01240   -0.71643
 28 O     1.68994    0.01241   -0.71645
 29 O     0.00019    0.04032   -1.44000
 30 O    -0.00002   -0.00020    1.82722
 31 Pt   -0.00003    0.00677    0.54077
 32 Pt    0.00012   -0.13119    0.73152
 33 O    -1.60457   -0.01503    0.03974
 34 O     1.60446   -0.01512    0.03979
 35 O     0.00028   -0.01203   -0.66967
 36 O    -0.00080    0.23635   -0.13091
 37 Pt    0.00031   -0.22169   -0.08733
 38 Pt   -0.00008    0.00789    0.00735
 39 O     0.02327   -0.00450   -0.00179
 40 O    -0.02223   -0.00291   -0.00346
 41 O     0.00038   -0.03060    0.09986
 42 O    -0.00171   -0.03110    0.01738
 43 Pt    0.00289    0.04673   -0.01826
 44 Pt   -0.00143   -0.10208   -0.05388
 45 O    -0.12170   -0.19856    0.30381
 46 O     0.12351   -0.20053    0.30051
 47 O     0.00035   -0.01643   -0.01973
 48 O     0.00002    0.01919    1.18664
 49 Pt   -0.00012   -0.05513   -0.40212
 50 Pt    0.00001    0.02153   -0.44178
 51 O    -1.69022   -0.01274   -0.71708
 52 O     1.69027   -0.01275   -0.71706
 53 O     0.00019    0.02278   -1.38045
 54 O    -0.00005   -0.00326    1.77992
 55 Pt    0.00013   -0.02207    0.52862
 56 Pt    0.00009   -0.00433    0.69488
 57 O    -1.60871    0.00868    0.06896
 58 O     1.60866    0.00867    0.06875
 59 O     0.00021   -0.01265   -0.57774
 60 O    -0.00077   -0.23097   -0.10521
 61 Pt    0.00048   -0.05712   -0.16702
 62 Pt    0.00011    0.00338    0.01618
 63 O    -0.01126   -0.00052    0.00552
 64 O     0.01116   -0.00042    0.00490
 65 O     0.00012   -0.01772    0.04973
 66 O    -0.00092   -0.01067   -0.00240
 67 Pt   -0.00038   -0.00143    0.03572
 68 Pt   -0.00033    0.09377    0.00476
 69 O     0.01144    0.05796   -0.02033
 70 O    -0.01401    0.05748   -0.02041
 71 O     0.00043   -0.00397   -0.03363
 72 N     0.01760   -0.15170   -0.77753
 73 N     0.09278    0.07054    0.73892
 74 O    -0.00046   -0.16120   -0.01709

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N  O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.218840    2.015545   25.362764    ( 0.0000,  0.0000,  0.0000)
  73 N      3.200342    1.832050   24.271825    ( 0.0000,  0.0000,  0.0000)
  74 O      3.251717    4.810763   23.006156    ( 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  15:58:15  -4.27   +inf  -418.571200    3      1      
iter:   2  16:01:49  -4.02  -3.18  -418.787951    3      1      
iter:   3  16:05:32  -4.14  -2.40  -418.566581    3      1      
iter:   4  16:09:14  -4.90  -3.17  -418.562183    3      1      
iter:   5  16:12:57  -5.64  -3.75  -418.561096    3      1      
iter:   6  16:16:31  -5.70  -3.73  -418.561434    3      1      
iter:   7  16:20:14  -5.73  -4.21  -418.561086    3      1      
iter:   8  16:23:56  -5.39  -4.19  -418.560967    3      1      
iter:   9  16:27:39  -5.98  -4.08  -418.561060    2      1      
iter:  10  16:31:22  -6.31  -4.18  -418.561249    2      1      
iter:  11  16:35:01  -6.72  -4.50  -418.560941    2      1      
iter:  12  16:38:40  -6.95  -4.48  -418.561086    2      1      
iter:  13  16:42:23  -6.95  -4.59  -418.561206    2      1      
iter:  14  16:46:05  -7.29  -4.49  -418.561115    2      1      
iter:  15  16:49:48  -7.07  -4.77  -418.561079    3      1      
iter:  16  16:53:23  -7.04  -4.94  -418.561201    2      1      
iter:  17  16:57:06  -7.52  -4.82  -418.561116    2      1      

Converged after 17 iterations.

Dipole moment: (-55.907789, -33.281338, -0.247715) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.404923
Potential:     -135.149907
External:        +0.000000
XC:            -308.022047
Entropy (-ST):   -1.700454
Local:          +11.056142
--------------------------
Free energy:   -419.411342
Extrapolated:  -418.561116

Fermi level: -6.74624

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.80101    0.14080
  0   343     -6.79825    0.13937
  0   344     -6.73655    0.10573
  0   345     -6.73544    0.10512

  1   342     -6.75197    0.22859
  1   343     -6.68524    0.15647
  1   344     -6.65682    0.12900
  1   345     -6.62220    0.09972



Forces in eV/Ang:
  0 O    -0.00001   -0.01831    1.19141
  1 Pt   -0.00013   -0.00091   -0.41230
  2 Pt   -0.00001   -0.02001   -0.44113
  3 O    -1.67731    0.00022   -0.71834
  4 O     1.67733    0.00022   -0.71836
  5 O     0.00014   -0.06738   -1.36645
  6 O    -0.00007    0.00242    1.77813
  7 Pt   -0.00002    0.01893    0.46777
  8 Pt   -0.00008    0.15050    0.85544
  9 O    -1.58106    0.00280    0.07423
 10 O     1.58097    0.00293    0.07433
 11 O     0.00013    0.01347   -0.60755
 12 O    -0.00050   -0.03814    0.13860
 13 Pt    0.00003    0.31464   -0.12846
 14 Pt    0.00085   -0.01851    0.01304
 15 O     0.01876   -0.00223    0.00937
 16 O    -0.01732   -0.00378    0.00750
 17 O     0.02330    0.16443   -0.87600
 18 O     0.00082   -0.00671    0.01354
 19 Pt    0.00119    0.03430    0.10127
 20 Pt   -0.01338   -0.59631    0.04839
 21 O    -0.31099    0.48482    0.30495
 22 O     0.31350    0.48258    0.30028
 23 O    -0.00452   -0.01441   -0.07777
 24 O     0.00001   -0.00155    1.15760
 25 Pt   -0.00016    0.05775   -0.40557
 26 Pt    0.00000   -0.00130   -0.43408
 27 O    -1.68831    0.01237   -0.71685
 28 O     1.68835    0.01238   -0.71687
 29 O     0.00019    0.04028   -1.44084
 30 O    -0.00002   -0.00022    1.83369
 31 Pt   -0.00003    0.00673    0.54262
 32 Pt    0.00012   -0.13112    0.73290
 33 O    -1.60458   -0.01500    0.03964
 34 O     1.60448   -0.01510    0.03969
 35 O     0.00028   -0.01201   -0.67035
 36 O    -0.00078    0.23636   -0.13091
 37 Pt    0.00029   -0.22247   -0.08814
 38 Pt   -0.00007    0.00816    0.00760
 39 O     0.02287   -0.00474   -0.00235
 40 O    -0.02182   -0.00316   -0.00401
 41 O     0.00037   -0.02760    0.09923
 42 O    -0.00171   -0.03077    0.01689
 43 Pt    0.00254    0.04652   -0.01938
 44 Pt   -0.00126   -0.10679   -0.05597
 45 O    -0.12231   -0.20005    0.30424
 46 O     0.12427   -0.20183    0.30065
 47 O     0.00023   -0.01698   -0.02178
 48 O     0.00002    0.01921    1.18674
 49 Pt   -0.00013   -0.05510   -0.40136
 50 Pt    0.00001    0.02154   -0.44057
 51 O    -1.68862   -0.01273   -0.71751
 52 O     1.68867   -0.01273   -0.71749
 53 O     0.00019    0.02273   -1.38132
 54 O    -0.00005   -0.00331    1.78638
 55 Pt    0.00013   -0.02202    0.53049
 56 Pt    0.00009   -0.00429    0.69650
 57 O    -1.60875    0.00869    0.06883
 58 O     1.60870    0.00868    0.06862
 59 O     0.00021   -0.01264   -0.57824
 60 O    -0.00076   -0.23047   -0.10550
 61 Pt    0.00048   -0.05769   -0.16644
 62 Pt    0.00011    0.00339    0.01638
 63 O    -0.01163   -0.00042    0.00515
 64 O     0.01152   -0.00032    0.00452
 65 O     0.00008   -0.01787    0.05140
 66 O    -0.00091   -0.01077   -0.00272
 67 Pt   -0.00045   -0.00097    0.03491
 68 Pt   -0.00029    0.09475    0.00173
 69 O     0.01028    0.05664   -0.02151
 70 O    -0.01279    0.05611   -0.02173
 71 O     0.00037   -0.00390   -0.03574
 72 N     0.02116   -0.06114   -0.28555
 73 N     0.07456   -0.00037    0.26389
 74 O    -0.00028   -0.12770   -0.02236

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N  O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.219209    2.014877   25.362389    ( 0.0000,  0.0000,  0.0000)
  73 N      3.201541    1.831794   24.273852    ( 0.0000,  0.0000,  0.0000)
  74 O      3.251770    4.808648   23.005781    ( 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  17:40:34  -4.24   +inf  -418.649658    3      1      
iter:   2  17:44:09  -2.96  -2.61  -421.787311    4      1      
iter:   3  17:47:52  -3.34  -1.86  -418.625707    3      1      
iter:   4  17:51:35  -3.66  -2.69  -418.565516    3      1      
iter:   5  17:55:18  -4.50  -3.70  -418.563377    3      1      
iter:   6  17:58:58  -4.80  -3.78  -418.561987    2      1      
iter:   7  18:02:36  -5.34  -3.95  -418.562105    2      1      
iter:   8  18:06:20  -5.55  -4.16  -418.561707    3      1      
iter:   9  18:10:03  -5.78  -3.90  -418.561409    3      1      
iter:  10  18:13:37  -5.97  -4.12  -418.562038    3      1      
iter:  11  18:17:20  -6.13  -4.09  -418.562108    2      1      
iter:  12  18:21:04  -7.11  -4.23  -418.561863    2      1      
iter:  13  18:24:47  -7.08  -4.61  -418.561863    2      1      
iter:  14  18:28:30  -7.06  -4.72  -418.561923    2      1      
iter:  15  18:32:05  -7.31  -4.61  -418.561793    2      1      
iter:  16  18:35:48  -7.57  -4.94  -418.561912    2      1      

Converged after 16 iterations.

Dipole moment: (-55.907695, -33.280045, -0.248877) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.814715
Potential:     -135.480584
External:        +0.000000
XC:            -308.102816
Entropy (-ST):   -1.700183
Local:          +11.056865
--------------------------
Free energy:   -419.412003
Extrapolated:  -418.561912

Fermi level: -6.74837

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.80259    0.14052
  0   343     -6.79982    0.13908
  0   344     -6.73899    0.10590
  0   345     -6.73746    0.10506

  1   342     -6.75410    0.22859
  1   343     -6.68711    0.15621
  1   344     -6.65893    0.12898
  1   345     -6.62429    0.09969



Forces in eV/Ang:
  0 O    -0.00001   -0.01830    1.19164
  1 Pt   -0.00013   -0.00093   -0.41327
  2 Pt   -0.00001   -0.02000   -0.44221
  3 O    -1.68063    0.00021   -0.71811
  4 O     1.68065    0.00022   -0.71813
  5 O     0.00014   -0.06744   -1.36559
  6 O    -0.00007    0.00246    1.76767
  7 Pt   -0.00002    0.01895    0.46442
  8 Pt   -0.00008    0.15063    0.85293
  9 O    -1.58132    0.00281    0.07377
 10 O     1.58124    0.00295    0.07388
 11 O     0.00013    0.01350   -0.60776
 12 O    -0.00051   -0.03712    0.13850
 13 Pt    0.00003    0.31489   -0.13116
 14 Pt    0.00084   -0.01848    0.01114
 15 O     0.01888   -0.00227    0.00925
 16 O    -0.01745   -0.00382    0.00738
 17 O     0.02337    0.16509   -0.88024
 18 O     0.00080   -0.00682    0.01390
 19 Pt    0.00114    0.03423    0.10358
 20 Pt   -0.01309   -0.59547    0.05547
 21 O    -0.31001    0.48452    0.30597
 22 O     0.31253    0.48229    0.30141
 23 O    -0.00441   -0.01449   -0.07554
 24 O     0.00001   -0.00156    1.15778
 25 Pt   -0.00016    0.05776   -0.40653
 26 Pt    0.00000   -0.00130   -0.43518
 27 O    -1.69162    0.01238   -0.71662
 28 O     1.69165    0.01239   -0.71664
 29 O     0.00019    0.04028   -1.44002
 30 O    -0.00002   -0.00020    1.82300
 31 Pt   -0.00003    0.00667    0.53929
 32 Pt    0.00012   -0.13109    0.73056
 33 O    -1.60482   -0.01503    0.03916
 34 O     1.60471   -0.01513    0.03921
 35 O     0.00028   -0.01200   -0.67049
 36 O    -0.00080    0.23630   -0.13158
 37 Pt    0.00029   -0.22324   -0.09001
 38 Pt   -0.00007    0.00829    0.00587
 39 O     0.02322   -0.00467   -0.00300
 40 O    -0.02217   -0.00309   -0.00465
 41 O     0.00036   -0.02599    0.09966
 42 O    -0.00171   -0.03068    0.01735
 43 Pt    0.00245    0.04671   -0.01687
 44 Pt   -0.00117   -0.11093   -0.06547
 45 O    -0.12090   -0.20183    0.30248
 46 O     0.12289   -0.20357    0.29897
 47 O     0.00022   -0.01711   -0.02088
 48 O     0.00002    0.01920    1.18696
 49 Pt   -0.00013   -0.05506   -0.40236
 50 Pt    0.00001    0.02153   -0.44165
 51 O    -1.69196   -0.01272   -0.71727
 52 O     1.69201   -0.01273   -0.71726
 53 O     0.00019    0.02275   -1.38059
 54 O    -0.00005   -0.00336    1.77581
 55 Pt    0.00013   -0.02199    0.52711
 56 Pt    0.00009   -0.00430    0.69422
 57 O    -1.60900    0.00871    0.06834
 58 O     1.60895    0.00870    0.06813
 59 O     0.00021   -0.01268   -0.57858
 60 O    -0.00077   -0.23111   -0.10597
 61 Pt    0.00049   -0.05780   -0.16900
 62 Pt    0.00011    0.00325    0.01469
 63 O    -0.01126   -0.00045    0.00483
 64 O     0.01115   -0.00035    0.00420
 65 O     0.00009   -0.01859    0.04499
 66 O    -0.00090   -0.01082   -0.00247
 67 Pt   -0.00048   -0.00096    0.03571
 68 Pt   -0.00025    0.09586    0.00511
 69 O     0.01037    0.05616   -0.01896
 70 O    -0.01285    0.05557   -0.01910
 71 O     0.00036   -0.00377   -0.03430
 72 N     0.02671   -0.00868    0.03471
 73 N     0.06852   -0.05917   -0.05788
 74 O     0.00000   -0.12699   -0.01583

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N  O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.219665    2.014359   25.362525    ( 0.0000,  0.0000,  0.0000)
  73 N      3.202699    1.831532   24.275745    ( 0.0000,  0.0000,  0.0000)
  74 O      3.251822    4.806636   23.005425    ( 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  19:11:40  -4.42   +inf  -418.637517    3      1      
iter:   2  19:15:23  -3.01  -2.65  -421.459403    3      1      
iter:   3  19:19:06  -3.20  -1.90  -418.578338    3      1      
iter:   4  19:22:49  -4.17  -2.97  -418.571160    3      1      
iter:   5  19:26:32  -4.65  -3.23  -418.562455    3      1      
iter:   6  19:30:14  -5.09  -3.64  -418.562647    3      1      
iter:   7  19:33:49  -5.50  -3.89  -418.561940    2      1      
iter:   8  19:37:31  -5.82  -4.02  -418.561858    2      1      
iter:   9  19:41:13  -6.07  -4.19  -418.561907    3      1      
iter:  10  19:44:53  -6.36  -4.54  -418.562058    2      1      
iter:  11  19:48:31  -6.41  -4.10  -418.561808    3      1      
iter:  12  19:52:13  -6.71  -4.63  -418.561967    2      1      
iter:  13  19:55:55  -7.48  -4.85  -418.561949    2      1      

Converged after 13 iterations.

Dipole moment: (-55.907523, -33.277830, -0.251625) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +15.210115
Potential:     -135.807679
External:        +0.000000
XC:            -308.173245
Entropy (-ST):   -1.700173
Local:          +11.058946
--------------------------
Free energy:   -419.412036
Extrapolated:  -418.561949

Fermi level: -6.74989

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.80439    0.14066
  0   343     -6.80162    0.13923
  0   344     -6.74045    0.10587
  0   345     -6.73905    0.10509

  1   342     -6.75558    0.22855
  1   343     -6.68877    0.15635
  1   344     -6.66051    0.12903
  1   345     -6.62581    0.09969



Forces in eV/Ang:
  0 O    -0.00001   -0.01827    1.19221
  1 Pt   -0.00013   -0.00093   -0.41200
  2 Pt   -0.00001   -0.01999   -0.44086
  3 O    -1.67824    0.00022   -0.71777
  4 O     1.67826    0.00022   -0.71779
  5 O     0.00014   -0.06748   -1.36576
  6 O    -0.00007    0.00237    1.77281
  7 Pt   -0.00003    0.01891    0.46577
  8 Pt   -0.00008    0.15063    0.85389
  9 O    -1.58125    0.00280    0.07412
 10 O     1.58117    0.00293    0.07423
 11 O     0.00013    0.01346   -0.60710
 12 O    -0.00051   -0.03730    0.13978
 13 Pt   -0.00000    0.31494   -0.12857
 14 Pt    0.00085   -0.01829    0.01329
 15 O     0.01894   -0.00228    0.01007
 16 O    -0.01751   -0.00383    0.00819
 17 O     0.02335    0.16477   -0.87904
 18 O     0.00084   -0.00630    0.01429
 19 Pt    0.00128    0.03395    0.09687
 20 Pt   -0.01317   -0.59680    0.04364
 21 O    -0.31080    0.48439    0.30095
 22 O     0.31321    0.48236    0.29670
 23 O    -0.00402   -0.01435   -0.08011
 24 O     0.00001   -0.00157    1.15836
 25 Pt   -0.00017    0.05779   -0.40529
 26 Pt    0.00000   -0.00130   -0.43386
 27 O    -1.68926    0.01239   -0.71629
 28 O     1.68929    0.01240   -0.71631
 29 O     0.00019    0.04026   -1.44042
 30 O    -0.00002   -0.00023    1.82825
 31 Pt   -0.00003    0.00675    0.54074
 32 Pt    0.00012   -0.13105    0.73168
 33 O    -1.60476   -0.01499    0.03955
 34 O     1.60465   -0.01509    0.03960
 35 O     0.00028   -0.01201   -0.66989
 36 O    -0.00080    0.23702   -0.13094
 37 Pt    0.00027   -0.22341   -0.08749
 38 Pt   -0.00007    0.00804    0.00763
 39 O     0.02302   -0.00467   -0.00184
 40 O    -0.02198   -0.00310   -0.00350
 41 O     0.00035   -0.02524    0.10045
 42 O    -0.00170   -0.03126    0.01764
 43 Pt    0.00260    0.04696   -0.02332
 44 Pt   -0.00119   -0.11273   -0.07207
 45 O    -0.12033   -0.20273    0.29677
 46 O     0.12229   -0.20455    0.29364
 47 O     0.00029   -0.01625   -0.02412
 48 O     0.00002    0.01916    1.18755
 49 Pt   -0.00013   -0.05507   -0.40112
 50 Pt    0.00001    0.02153   -0.44029
 51 O    -1.68958   -0.01274   -0.71696
 52 O     1.68963   -0.01275   -0.71694
 53 O     0.00019    0.02276   -1.38091
 54 O    -0.00005   -0.00324    1.78098
 55 Pt    0.00013   -0.02204    0.52858
 56 Pt    0.00009   -0.00418    0.69531
 57 O    -1.60893    0.00869    0.06871
 58 O     1.60887    0.00868    0.06850
 59 O     0.00021   -0.01262   -0.57793
 60 O    -0.00077   -0.23063   -0.10564
 61 Pt    0.00049   -0.05836   -0.16737
 62 Pt    0.00011    0.00337    0.01653
 63 O    -0.01144   -0.00050    0.00563
 64 O     0.01133   -0.00040    0.00501
 65 O     0.00009   -0.01776    0.04755
 66 O    -0.00091   -0.01058   -0.00189
 67 Pt   -0.00046   -0.00067    0.03161
 68 Pt   -0.00027    0.09681   -0.00460
 69 O     0.00923    0.05446   -0.02004
 70 O    -0.01167    0.05379   -0.02009
 71 O     0.00040   -0.00488   -0.03796
 72 N     0.02971    0.02843    0.25692
 73 N     0.06500   -0.09965   -0.28495
 74 O     0.00025   -0.13027   -0.01813

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N  O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.220757    2.012991   25.361625    ( 0.0000,  0.0000,  0.0000)
  73 N      3.205410    1.831071   24.281213    ( 0.0000,  0.0000,  0.0000)
  74 O      3.251936    4.801825   23.004580    ( 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  20:58:32  -3.67   +inf  -418.632479    4      1      
iter:   2  21:02:15  -3.10  -2.70  -420.329057    4      1      
iter:   3  21:05:59  -3.16  -2.00  -418.803483    3      1      
iter:   4  21:09:41  -3.76  -2.40  -418.567619    3      1      
iter:   5  21:13:16  -4.53  -3.31  -418.561940    3      1      
iter:   6  21:16:58  -4.89  -3.27  -418.560329    3      1      
iter:   7  21:20:41  -5.25  -3.59  -418.559203    3      1      
iter:   8  21:24:25  -5.03  -3.62  -418.558299    3      1      
iter:   9  21:28:08  -4.82  -4.18  -418.557992    3      1      
iter:  10  21:31:51  -5.32  -4.13  -418.557804    3      1      
iter:  11  21:35:28  -5.96  -4.18  -418.558625    2      1      
iter:  12  21:39:08  -6.43  -4.09  -418.558091    2      1      
iter:  13  21:42:51  -6.74  -4.30  -418.557840    2      1      
iter:  14  21:46:34  -6.89  -4.07  -418.558000    2      1      
iter:  15  21:50:17  -6.57  -4.46  -418.558171    3      1      
iter:  16  21:53:59  -6.43  -4.38  -418.557855    3      1      
iter:  17  21:57:34  -6.75  -4.55  -418.558095    2      1      
iter:  18  22:01:16  -7.26  -4.57  -418.557949    2      1      
iter:  19  22:04:59  -7.58  -4.81  -418.557960    2      1      

Converged after 19 iterations.

Dipole moment: (-55.907505, -33.278585, -0.250690) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +16.200594
Potential:     -136.583408
External:        +0.000000
XC:            -308.383845
Entropy (-ST):   -1.699867
Local:          +11.058633
--------------------------
Free energy:   -419.407893
Extrapolated:  -418.557960

Fermi level: -6.74944

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.80385    0.14061
  0   343     -6.80108    0.13917
  0   344     -6.74015    0.10595
  0   345     -6.73863    0.10511

  1   342     -6.75515    0.22856
  1   343     -6.68831    0.15633
  1   344     -6.66014    0.12911
  1   345     -6.62535    0.09967



Forces in eV/Ang:
  0 O    -0.00001   -0.01830    1.19124
  1 Pt   -0.00014   -0.00098   -0.41318
  2 Pt   -0.00001   -0.01998   -0.44226
  3 O    -1.67901    0.00021   -0.71807
  4 O     1.67903    0.00022   -0.71809
  5 O     0.00014   -0.06752   -1.36551
  6 O    -0.00007    0.00238    1.77181
  7 Pt   -0.00003    0.01889    0.46589
  8 Pt   -0.00008    0.15082    0.85351
  9 O    -1.58124    0.00283    0.07402
 10 O     1.58116    0.00297    0.07413
 11 O     0.00013    0.01346   -0.60772
 12 O    -0.00051   -0.03638    0.13984
 13 Pt   -0.00004    0.31522   -0.13014
 14 Pt    0.00083   -0.01838    0.01141
 15 O     0.01885   -0.00235    0.00923
 16 O    -0.01740   -0.00388    0.00736
 17 O     0.02315    0.16465   -0.87747
 18 O     0.00079   -0.00671    0.01366
 19 Pt    0.00107    0.03433    0.10689
 20 Pt   -0.01242   -0.59345    0.05776
 21 O    -0.31070    0.48436    0.30702
 22 O     0.31317    0.48217    0.30266
 23 O    -0.00416   -0.01445   -0.07404
 24 O     0.00001   -0.00159    1.15736
 25 Pt   -0.00017    0.05785   -0.40646
 26 Pt    0.00000   -0.00130   -0.43531
 27 O    -1.69003    0.01241   -0.71659
 28 O     1.69006    0.01242   -0.71661
 29 O     0.00019    0.04021   -1.44004
 30 O    -0.00002   -0.00027    1.82705
 31 Pt   -0.00003    0.00672    0.54083
 32 Pt    0.00013   -0.13094    0.73174
 33 O    -1.60475   -0.01501    0.03944
 34 O     1.60465   -0.01511    0.03949
 35 O     0.00028   -0.01200   -0.67038
 36 O    -0.00079    0.23634   -0.13089
 37 Pt    0.00024   -0.22530   -0.08957
 38 Pt   -0.00007    0.00850    0.00606
 39 O     0.02292   -0.00468   -0.00290
 40 O    -0.02188   -0.00312   -0.00456
 41 O     0.00032   -0.02045    0.09856
 42 O    -0.00169   -0.03083    0.01686
 43 Pt    0.00224    0.04684   -0.01316
 44 Pt   -0.00096   -0.12161   -0.08012
 45 O    -0.11926   -0.20558    0.30170
 46 O     0.12135   -0.20721    0.29852
 47 O     0.00022   -0.01841   -0.01896
 48 O     0.00002    0.01917    1.18653
 49 Pt   -0.00013   -0.05501   -0.40234
 50 Pt    0.00001    0.02151   -0.44170
 51 O    -1.69037   -0.01275   -0.71725
 52 O     1.69042   -0.01275   -0.71723
 53 O     0.00019    0.02272   -1.38068
 54 O    -0.00005   -0.00321    1.77991
 55 Pt    0.00013   -0.02203    0.52874
 56 Pt    0.00009   -0.00408    0.69565
 57 O    -1.60896    0.00869    0.06863
 58 O     1.60890    0.00868    0.06841
 59 O     0.00020   -0.01263   -0.57845
 60 O    -0.00075   -0.22958   -0.10576
 61 Pt    0.00050   -0.05898   -0.16903
 62 Pt    0.00011    0.00312    0.01497
 63 O    -0.01156   -0.00054    0.00509
 64 O     0.01145   -0.00043    0.00446
 65 O     0.00007   -0.01846    0.04725
 66 O    -0.00089   -0.01051   -0.00304
 67 Pt   -0.00056   -0.00019    0.03813
 68 Pt   -0.00019    0.09911    0.00939
 69 O     0.00764    0.05184   -0.01487
 70 O    -0.00998    0.05103   -0.01490
 71 O     0.00036   -0.00317   -0.03245
 72 N     0.03716    0.19855    1.23196
 73 N     0.03087   -0.24462   -1.22784
 74 O     0.00040   -0.12708   -0.00501

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N  O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.221023    2.013432   25.364500    ( 0.0000,  0.0000,  0.0000)
  73 N      3.205446    1.830606   24.278717    ( 0.0000,  0.0000,  0.0000)
  74 O      3.251938    4.800516   23.004655    ( 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  22:55:04  -3.90   +inf  -418.639094    4      1      
iter:   2  22:58:41  -2.98  -2.62  -421.572617    3      1      
iter:   3  23:02:24  -3.20  -1.88  -418.584171    3      1      
iter:   4  23:06:00  -4.05  -3.10  -418.580647    3      1      
iter:   5  23:09:44  -4.38  -3.02  -418.568936    3      1      
iter:   6  23:13:28  -4.70  -3.59  -418.565342    3      1      
iter:   7  23:17:12  -5.31  -3.89  -418.566579    3      1      
iter:   8  23:20:56  -5.56  -3.55  -418.565702    3      1      
iter:   9  23:24:32  -5.45  -3.58  -418.563633    3      1      
iter:  10  23:28:16  -5.40  -4.05  -418.563240    3      1      
iter:  11  23:32:00  -5.53  -3.77  -418.563685    3      1      
iter:  12  23:35:44  -5.62  -3.88  -418.562744    3      1      
iter:  13  23:39:20  -6.44  -4.15  -418.562770    2      1      
iter:  14  23:43:04  -6.48  -4.40  -418.562814    3      1      
iter:  15  23:46:48  -6.53  -4.40  -418.562749    2      1      
iter:  16  23:50:32  -6.62  -4.59  -418.562905    3      1      
iter:  17  23:54:16  -6.81  -4.67  -418.562798    2      1      
iter:  18  23:57:52  -7.29  -4.79  -418.562840    2      1      
iter:  19  00:01:35  -7.35  -4.82  -418.562751    2      1      
iter:  20  00:05:19  -7.84  -5.00  -418.562740    2      1      

Converged after 20 iterations.

Dipole moment: (-55.907486, -33.281291, -0.246495) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +15.364175
Potential:     -135.928884
External:        +0.000000
XC:            -308.203653
Entropy (-ST):   -1.699767
Local:          +11.055505
--------------------------
Free energy:   -419.412624
Extrapolated:  -418.562740

Fermi level: -6.74616

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.80053    0.14059
  0   343     -6.79774    0.13915
  0   344     -6.73699    0.10602
  0   345     -6.73530    0.10508

  1   342     -6.75187    0.22856
  1   343     -6.68499    0.15630
  1   344     -6.65687    0.12911
  1   345     -6.62205    0.09966



Forces in eV/Ang:
  0 O    -0.00001   -0.01831    1.19213
  1 Pt   -0.00013   -0.00100   -0.41196
  2 Pt   -0.00001   -0.02000   -0.44101
  3 O    -1.67926    0.00022   -0.71729
  4 O     1.67928    0.00023   -0.71731
  5 O     0.00014   -0.06751   -1.36557
  6 O    -0.00007    0.00254    1.77030
  7 Pt   -0.00003    0.01889    0.46538
  8 Pt   -0.00008    0.15096    0.85275
  9 O    -1.58122    0.00283    0.07381
 10 O     1.58114    0.00296    0.07392
 11 O     0.00013    0.01350   -0.60799
 12 O    -0.00052   -0.03582    0.13963
 13 Pt   -0.00003    0.31544   -0.12963
 14 Pt    0.00084   -0.01851    0.01206
 15 O     0.01898   -0.00232    0.00958
 16 O    -0.01753   -0.00385    0.00771
 17 O     0.02327    0.16466   -0.87854
 18 O     0.00082   -0.00636    0.01383
 19 Pt    0.00115    0.03376    0.09964
 20 Pt   -0.01259   -0.59377    0.05720
 21 O    -0.31107    0.48445    0.30066
 22 O     0.31349    0.48236    0.29641
 23 O    -0.00397   -0.01461   -0.07493
 24 O     0.00001   -0.00159    1.15823
 25 Pt   -0.00017    0.05785   -0.40520
 26 Pt    0.00000   -0.00130   -0.43395
 27 O    -1.69025    0.01238   -0.71578
 28 O     1.69028    0.01239   -0.71581
 29 O     0.00019    0.04021   -1.44017
 30 O    -0.00002   -0.00024    1.82565
 31 Pt   -0.00003    0.00666    0.54017
 32 Pt    0.00012   -0.13093    0.73116
 33 O    -1.60472   -0.01503    0.03920
 34 O     1.60461   -0.01513    0.03926
 35 O     0.00028   -0.01198   -0.67093
 36 O    -0.00080    0.23649   -0.13120
 37 Pt    0.00025   -0.22570   -0.08884
 38 Pt   -0.00007    0.00834    0.00648
 39 O     0.02329   -0.00486   -0.00255
 40 O    -0.02224   -0.00329   -0.00421
 41 O     0.00033   -0.01980    0.09880
 42 O    -0.00169   -0.03107    0.01676
 43 Pt    0.00236    0.04743   -0.01999
 44 Pt   -0.00098   -0.12372   -0.08219
 45 O    -0.11866   -0.20628    0.29380
 46 O     0.12071   -0.20797    0.29074
 47 O     0.00026   -0.01733   -0.02204
 48 O     0.00002    0.01917    1.18742
 49 Pt   -0.00013   -0.05497   -0.40107
 50 Pt    0.00001    0.02153   -0.44041
 51 O    -1.69058   -0.01273   -0.71645
 52 O     1.69063   -0.01273   -0.71643
 53 O     0.00019    0.02269   -1.38079
 54 O    -0.00005   -0.00340    1.77843
 55 Pt    0.00013   -0.02198    0.52807
 56 Pt    0.00009   -0.00415    0.69509
 57 O    -1.60891    0.00873    0.06837
 58 O     1.60885    0.00872    0.06816
 59 O     0.00021   -0.01269   -0.57873
 60 O    -0.00077   -0.23004   -0.10601
 61 Pt    0.00050   -0.05934   -0.16949
 62 Pt    0.00012    0.00344    0.01515
 63 O    -0.01110   -0.00040    0.00509
 64 O     0.01099   -0.00030    0.00447
 65 O     0.00008   -0.01823    0.04430
 66 O    -0.00090   -0.01058   -0.00294
 67 Pt   -0.00054   -0.00017    0.03237
 68 Pt   -0.00020    0.10016   -0.00033
 69 O     0.00706    0.05104   -0.01798
 70 O    -0.00940    0.05022   -0.01800
 71 O     0.00038   -0.00419   -0.03526
 72 N     0.02508    0.05645    0.41208
 73 N     0.04337   -0.12622   -0.44010
 74 O     0.00023   -0.12902   -0.00648

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N  O Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.221436    2.013450   25.366562    ( 0.0000,  0.0000,  0.0000)
  73 N      3.205746    1.829890   24.277236    ( 0.0000,  0.0000,  0.0000)
  74 O      3.251965    4.797731   23.004707    ( 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  00:42:04  -4.20   +inf  -418.578495    3      1      
iter:   2  00:45:48  -3.58  -2.92  -419.292148    3      1      
iter:   3  00:49:31  -3.72  -2.17  -418.589148    3      1      
iter:   4  00:53:05  -4.47  -2.99  -418.568437    3      1      
iter:   5  00:56:48  -4.99  -3.48  -418.565599    2      1      
iter:   6  01:00:31  -5.49  -4.07  -418.565657    3      1      
iter:   7  01:04:14  -5.52  -3.74  -418.564530    3      1      
iter:   8  01:07:56  -5.61  -4.00  -418.564863    3      1      
iter:   9  01:11:39  -5.47  -3.81  -418.563794    3      1      
iter:  10  01:15:22  -6.23  -4.51  -418.564098    2      1      
iter:  11  01:18:56  -6.74  -4.44  -418.563771    2      1      
iter:  12  01:22:39  -6.90  -4.47  -418.563870    2      1      
iter:  13  01:26:22  -6.86  -4.75  -418.563932    2      1      
iter:  14  01:30:05  -7.23  -4.71  -418.563922    2      1      
iter:  15  01:33:47  -7.53  -4.84  -418.563843    2      1      

Converged after 15 iterations.

Dipole moment: (-55.907517, -33.282844, -0.243470) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.664945
Potential:     -135.354924
External:        +0.000000
XC:            -308.078024
Entropy (-ST):   -1.699691
Local:          +11.054005
--------------------------
Free energy:   -419.413688
Extrapolated:  -418.563843

Fermi level: -6.74360

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.79787    0.14054
  0   343     -6.79509    0.13910
  0   344     -6.73453    0.10607
  0   345     -6.73276    0.10510

  1   342     -6.74928    0.22853
  1   343     -6.68240    0.15626
  1   344     -6.65436    0.12916
  1   345     -6.61951    0.09968



Forces in eV/Ang:
  0 O    -0.00001   -0.01830    1.19182
  1 Pt   -0.00013   -0.00100   -0.41170
  2 Pt   -0.00001   -0.01997   -0.43965
  3 O    -1.67941    0.00022   -0.71716
  4 O     1.67943    0.00022   -0.71718
  5 O     0.00014   -0.06762   -1.36549
  6 O    -0.00007    0.00233    1.76946
  7 Pt   -0.00003    0.01888    0.46486
  8 Pt   -0.00008    0.15098    0.85281
  9 O    -1.58148    0.00284    0.07369
 10 O     1.58140    0.00297    0.07381
 11 O     0.00013    0.01346   -0.60794
 12 O    -0.00051   -0.03510    0.13954
 13 Pt   -0.00004    0.31551   -0.12988
 14 Pt    0.00084   -0.01810    0.01124
 15 O     0.01920   -0.00229    0.00961
 16 O    -0.01775   -0.00382    0.00774
 17 O     0.02324    0.16464   -0.87823
 18 O     0.00081   -0.00659    0.01369
 19 Pt    0.00113    0.03369    0.10031
 20 Pt   -0.01252   -0.59265    0.05645
 21 O    -0.31136    0.48421    0.30120
 22 O     0.31377    0.48212    0.29696
 23 O    -0.00394   -0.01457   -0.07291
 24 O     0.00001   -0.00161    1.15794
 25 Pt   -0.00017    0.05791   -0.40499
 26 Pt    0.00000   -0.00129   -0.43265
 27 O    -1.69043    0.01241   -0.71568
 28 O     1.69046    0.01242   -0.71571
 29 O     0.00019    0.04022   -1.44006
 30 O    -0.00002   -0.00021    1.82464
 31 Pt   -0.00003    0.00676    0.53994
 32 Pt    0.00012   -0.13086    0.73123
 33 O    -1.60498   -0.01495    0.03914
 34 O     1.60487   -0.01505    0.03919
 35 O     0.00028   -0.01197   -0.67056
 36 O    -0.00080    0.23646   -0.13192
 37 Pt    0.00025   -0.22669   -0.08903
 38 Pt   -0.00007    0.00821    0.00551
 39 O     0.02303   -0.00460   -0.00271
 40 O    -0.02198   -0.00304   -0.00437
 41 O     0.00032   -0.01786    0.09940
 42 O    -0.00169   -0.03118    0.01678
 43 Pt    0.00233    0.04812   -0.01870
 44 Pt   -0.00094   -0.12894   -0.07612
 45 O    -0.11780   -0.20747    0.29117
 46 O     0.11987   -0.20914    0.28816
 47 O     0.00026   -0.01787   -0.02076
 48 O     0.00002    0.01916    1.18710
 49 Pt   -0.00013   -0.05500   -0.40085
 50 Pt    0.00001    0.02149   -0.43902
 51 O    -1.69078   -0.01276   -0.71634
 52 O     1.69083   -0.01277   -0.71632
 53 O     0.00019    0.02272   -1.38080
 54 O    -0.00005   -0.00323    1.77751
 55 Pt    0.00013   -0.02209    0.52773
 56 Pt    0.00009   -0.00402    0.69538
 57 O    -1.60919    0.00864    0.06828
 58 O     1.60913    0.00863    0.06807
 59 O     0.00021   -0.01266   -0.57882
 60 O    -0.00077   -0.22985   -0.10682
 61 Pt    0.00050   -0.05940   -0.17024
 62 Pt    0.00012    0.00323    0.01442
 63 O    -0.01126   -0.00074    0.00506
 64 O     0.01115   -0.00064    0.00444
 65 O     0.00008   -0.01823    0.04353
 66 O    -0.00090   -0.01017   -0.00312
 67 Pt   -0.00055   -0.00054    0.03294
 68 Pt   -0.00019    0.10142    0.00001
 69 O     0.00605    0.04921   -0.01544
 70 O    -0.00838    0.04836   -0.01544
 71 O     0.00038   -0.00386   -0.03376
 72 N     0.01946   -0.02785   -0.08623
 73 N     0.04832   -0.04796    0.04209
 74 O     0.00023   -0.14149   -0.01359

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N  O Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.222241    2.012881   25.368999    ( 0.0000,  0.0000,  0.0000)
  73 N      3.207382    1.829021   24.278174    ( 0.0000,  0.0000,  0.0000)
  74 O      3.252059    4.793479   23.004225    ( 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  02:38:03  -4.28   +inf  -418.567925    3      1      
iter:   2  02:41:46  -4.20  -3.25  -418.738861    3      1      
iter:   3  02:45:29  -4.45  -2.46  -418.570856    2      1      
iter:   4  02:49:07  -4.75  -3.34  -418.564684    3      1      
iter:   5  02:52:47  -5.38  -4.33  -418.564878    3      1      
iter:   6  02:56:30  -5.97  -4.20  -418.564615    3      1      
iter:   7  03:00:12  -6.12  -4.42  -418.564825    3      1      
iter:   8  03:03:54  -6.20  -4.14  -418.564441    2      1      
iter:   9  03:07:37  -6.77  -4.47  -418.564518    2      1      
iter:  10  03:11:12  -7.20  -4.49  -418.564328    2      1      
iter:  11  03:14:55  -7.31  -4.84  -418.564466    2      1      
iter:  12  03:18:37  -7.26  -4.67  -418.564318    2      1      
iter:  13  03:22:20  -7.45  -4.87  -418.564293    2      1      

Converged after 13 iterations.

Dipole moment: (-55.907395, -33.280655, -0.245817) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.387539
Potential:     -135.131387
External:        +0.000000
XC:            -308.025530
Entropy (-ST):   -1.699575
Local:          +11.054873
--------------------------
Free energy:   -419.414080
Extrapolated:  -418.564293

Fermi level: -6.74593

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.80005    0.14046
  0   343     -6.79725    0.13901
  0   344     -6.73706    0.10619
  0   345     -6.73503    0.10506

  1   342     -6.75163    0.22855
  1   343     -6.68468    0.15621
  1   344     -6.65676    0.12922
  1   345     -6.62183    0.09967



Forces in eV/Ang:
  0 O    -0.00001   -0.01832    1.19137
  1 Pt   -0.00014   -0.00102   -0.41212
  2 Pt   -0.00001   -0.02000   -0.44105
  3 O    -1.67997    0.00022   -0.71739
  4 O     1.67999    0.00022   -0.71742
  5 O     0.00014   -0.06764   -1.36469
  6 O    -0.00007    0.00246    1.76832
  7 Pt   -0.00003    0.01886    0.46485
  8 Pt   -0.00008    0.15120    0.85238
  9 O    -1.58161    0.00284    0.07401
 10 O     1.58152    0.00298    0.07412
 11 O     0.00013    0.01351   -0.60789
 12 O    -0.00052   -0.03457    0.14089
 13 Pt   -0.00006    0.31532   -0.13074
 14 Pt    0.00083   -0.01831    0.01113
 15 O     0.01905   -0.00233    0.00974
 16 O    -0.01760   -0.00385    0.00787
 17 O     0.02329    0.16465   -0.88030
 18 O     0.00082   -0.00656    0.01403
 19 Pt    0.00124    0.03391    0.10424
 20 Pt   -0.01258   -0.59081    0.06295
 21 O    -0.31013    0.48363    0.30387
 22 O     0.31249    0.48170    0.30004
 23 O    -0.00348   -0.01479   -0.07082
 24 O     0.00001   -0.00163    1.15746
 25 Pt   -0.00017    0.05793   -0.40538
 26 Pt    0.00000   -0.00130   -0.43399
 27 O    -1.69095    0.01240   -0.71589
 28 O     1.69099    0.01241   -0.71591
 29 O     0.00020    0.04020   -1.43926
 30 O    -0.00002   -0.00024    1.82370
 31 Pt   -0.00003    0.00676    0.53984
 32 Pt    0.00013   -0.13082    0.73106
 33 O    -1.60509   -0.01498    0.03944
 34 O     1.60499   -0.01508    0.03949
 35 O     0.00028   -0.01197   -0.67063
 36 O    -0.00081    0.23617   -0.13050
 37 Pt    0.00024   -0.22737   -0.08917
 38 Pt   -0.00007    0.00843    0.00530
 39 O     0.02314   -0.00473   -0.00268
 40 O    -0.02210   -0.00317   -0.00433
 41 O     0.00031   -0.01482    0.09890
 42 O    -0.00168   -0.03131    0.01685
 43 Pt    0.00245    0.04753   -0.01466
 44 Pt   -0.00095   -0.13483   -0.08176
 45 O    -0.11539   -0.20994    0.28913
 46 O     0.11747   -0.21160    0.28656
 47 O     0.00036   -0.01833   -0.01842
 48 O     0.00002    0.01916    1.18665
 49 Pt   -0.00013   -0.05494   -0.40128
 50 Pt    0.00001    0.02152   -0.44040
 51 O    -1.69131   -0.01274   -0.71656
 52 O     1.69136   -0.01275   -0.71654
 53 O     0.00019    0.02268   -1.38009
 54 O    -0.00005   -0.00331    1.77637
 55 Pt    0.00013   -0.02211    0.52767
 56 Pt    0.00009   -0.00396    0.69528
 57 O    -1.60932    0.00868    0.06858
 58 O     1.60927    0.00867    0.06837
 59 O     0.00020   -0.01271   -0.57872
 60 O    -0.00077   -0.22884   -0.10596
 61 Pt    0.00051   -0.06004   -0.17111
 62 Pt    0.00011    0.00331    0.01428
 63 O    -0.01118   -0.00065    0.00532
 64 O     0.01108   -0.00055    0.00470
 65 O     0.00009   -0.01850    0.04007
 66 O    -0.00090   -0.01010   -0.00295
 67 Pt   -0.00056    0.00011    0.03588
 68 Pt   -0.00017    0.10268    0.00748
 69 O     0.00490    0.04711   -0.00925
 70 O    -0.00719    0.04613   -0.00904
 71 O     0.00042   -0.00325   -0.03127
 72 N     0.01117   -0.06072   -0.32028
 73 N     0.03684   -0.00919    0.26072
 74 O    -0.00011   -0.15103   -0.01186

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.224286    2.010993   25.371958    ( 0.0000,  0.0000,  0.0000)
  73 N      3.211573    1.827284   24.283828    ( 0.0000,  0.0000,  0.0000)
  74 O      3.252291    4.782142   23.002941    ( 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  03:59:59  -3.43   +inf  -418.792983    3      1      
iter:   2  04:03:26  -2.51  -2.42  -425.367236    4      1      
iter:   3  04:06:54  -2.74  -1.76  -418.774413    4      1      
iter:   4  04:10:22  -3.54  -2.44  -418.629953    4      1      
iter:   5  04:13:47  -4.07  -2.75  -418.574709    3      1      
iter:   6  04:17:10  -4.35  -3.09  -418.568812    3      1      
iter:   7  04:20:37  -4.86  -3.53  -418.567166    2      1      
iter:   8  04:24:05  -5.17  -3.60  -418.566795    2      1      
iter:   9  04:27:33  -5.64  -3.97  -418.566602    3      1      
iter:  10  04:30:54  -5.70  -4.13  -418.566934    2      1      
iter:  11  04:34:21  -5.88  -3.94  -418.566451    3      1      
iter:  12  04:37:49  -6.20  -4.44  -418.566801    2      1      
iter:  13  04:41:17  -7.09  -4.44  -418.566570    2      1      
iter:  14  04:44:40  -6.73  -4.54  -418.566501    3      1      
iter:  15  04:48:05  -6.57  -4.57  -418.566698    2      1      
iter:  16  04:51:32  -7.24  -4.39  -418.566702    2      1      
iter:  17  04:55:00  -7.48  -4.69  -418.566598    2      1      

Converged after 17 iterations.

Dipole moment: (-55.906967, -33.275914, -0.250288) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.969617
Potential:     -135.615640
External:        +0.000000
XC:            -308.128336
Entropy (-ST):   -1.698704
Local:          +11.057113
--------------------------
Free energy:   -419.415949
Extrapolated:  -418.566598

Fermi level: -6.74863

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.80318    0.14069
  0   343     -6.80039    0.13924
  0   344     -6.73985    0.10624
  0   345     -6.73796    0.10519

  1   342     -6.75435    0.22857
  1   343     -6.68759    0.15643
  1   344     -6.65971    0.12946
  1   345     -6.62444    0.09960



Forces in eV/Ang:
  0 O    -0.00001   -0.01835    1.19206
  1 Pt   -0.00014   -0.00105   -0.41167
  2 Pt   -0.00001   -0.02000   -0.44126
  3 O    -1.67802    0.00023   -0.71844
  4 O     1.67804    0.00023   -0.71847
  5 O     0.00014   -0.06771   -1.36565
  6 O    -0.00006    0.00249    1.77508
  7 Pt   -0.00003    0.01886    0.46732
  8 Pt   -0.00008    0.15166    0.85320
  9 O    -1.58169    0.00290    0.07435
 10 O     1.58160    0.00303    0.07447
 11 O     0.00013    0.01346   -0.60699
 12 O    -0.00053   -0.03255    0.14199
 13 Pt   -0.00012    0.31472   -0.13074
 14 Pt    0.00082   -0.01824    0.01151
 15 O     0.01806   -0.00233    0.00911
 16 O    -0.01660   -0.00384    0.00725
 17 O     0.02331    0.16520   -0.88011
 18 O     0.00080   -0.00673    0.01426
 19 Pt    0.00124    0.03403    0.09930
 20 Pt   -0.01231   -0.58892    0.04327
 21 O    -0.31179    0.48381    0.30243
 22 O     0.31409    0.48205    0.29915
 23 O    -0.00294   -0.01556   -0.08079
 24 O     0.00001   -0.00169    1.15826
 25 Pt   -0.00017    0.05804   -0.40486
 26 Pt    0.00000   -0.00130   -0.43418
 27 O    -1.68899    0.01239   -0.71692
 28 O     1.68902    0.01240   -0.71695
 29 O     0.00020    0.04011   -1.44061
 30 O    -0.00002   -0.00025    1.83036
 31 Pt   -0.00004    0.00669    0.54229
 32 Pt    0.00013   -0.13059    0.73219
 33 O    -1.60519   -0.01503    0.03982
 34 O     1.60508   -0.01513    0.03987
 35 O     0.00028   -0.01196   -0.66997
 36 O    -0.00082    0.23739   -0.13086
 37 Pt    0.00021   -0.22936   -0.08763
 38 Pt   -0.00008    0.00868    0.00582
 39 O     0.02233   -0.00495   -0.00302
 40 O    -0.02129   -0.00339   -0.00467
 41 O     0.00029   -0.00716    0.10185
 42 O    -0.00168   -0.03138    0.01684
 43 Pt    0.00236    0.04851   -0.01948
 44 Pt   -0.00075   -0.14850   -0.08407
 45 O    -0.11475   -0.21441    0.27539
 46 O     0.11698   -0.21590    0.27343
 47 O     0.00041   -0.01667   -0.02280
 48 O     0.00002    0.01914    1.18735
 49 Pt   -0.00013   -0.05488   -0.40082
 50 Pt    0.00001    0.02153   -0.44054
 51 O    -1.68937   -0.01273   -0.71762
 52 O     1.68942   -0.01274   -0.71760
 53 O     0.00020    0.02255   -1.38162
 54 O    -0.00005   -0.00333    1.78304
 55 Pt    0.00013   -0.02213    0.53009
 56 Pt    0.00009   -0.00371    0.69718
 57 O    -1.60945    0.00870    0.06893
 58 O     1.60940    0.00869    0.06872
 59 O     0.00020   -0.01267   -0.57798
 60 O    -0.00078   -0.22795   -0.10757
 61 Pt    0.00053   -0.06170   -0.17134
 62 Pt    0.00011    0.00325    0.01470
 63 O    -0.01201   -0.00074    0.00516
 64 O     0.01191   -0.00064    0.00454
 65 O     0.00006   -0.01903    0.04236
 66 O    -0.00090   -0.00960   -0.00275
 67 Pt   -0.00065    0.00041    0.03575
 68 Pt   -0.00008    0.10533    0.00136
 69 O    -0.00184    0.03822   -0.00197
 70 O    -0.00030    0.03695   -0.00155
 71 O     0.00043   -0.00485   -0.03634
 72 N    -0.00594    0.01675    0.04618
 73 N     0.02087   -0.04003   -0.10815
 74 O    -0.00249   -0.11848   -0.01199

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.226123    2.009361   25.375617    ( 0.0000,  0.0000,  0.0000)
  73 N      3.215693    1.825854   24.289222    ( 0.0000,  0.0000,  0.0000)
  74 O      3.252487    4.770928   23.001616    ( 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  05:28:28  -3.49   +inf  -418.576077    3      1      
iter:   2  05:31:56  -4.09  -3.25  -418.705882    3      1      
iter:   3  05:35:17  -4.43  -2.51  -418.566885    3      1      
iter:   4  05:38:44  -4.66  -3.29  -418.567512    3      1      
iter:   5  05:42:11  -5.47  -3.93  -418.567669    2      1      
iter:   6  05:45:39  -5.56  -4.25  -418.567030    3      1      
iter:   7  05:48:59  -5.60  -3.77  -418.567490    3      1      
iter:   8  05:52:27  -5.87  -4.13  -418.567402    2      1      
iter:   9  05:55:55  -6.28  -4.46  -418.567708    2      1      
iter:  10  05:59:16  -6.47  -4.49  -418.567561    2      1      
iter:  11  06:02:44  -7.08  -4.37  -418.567438    2      1      
iter:  12  06:06:11  -7.08  -4.76  -418.567492    2      1      
iter:  13  06:09:38  -7.13  -4.81  -418.567559    2      1      
iter:  14  06:12:59  -7.27  -4.54  -418.567306    2      1      
iter:  15  06:16:27  -7.49  -4.66  -418.567575    2      1      

Converged after 15 iterations.

Dipole moment: (-55.906784, -33.274860, -0.249785) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +15.256908
Potential:     -135.843039
External:        +0.000000
XC:            -308.189106
Entropy (-ST):   -1.697791
Local:          +11.056557
--------------------------
Free energy:   -419.416471
Extrapolated:  -418.567575

Fermi level: -6.74915

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.80336    0.14051
  0   343     -6.80056    0.13906
  0   344     -6.74083    0.10649
  0   345     -6.73846    0.10518

  1   342     -6.75479    0.22848
  1   343     -6.68796    0.15628
  1   344     -6.66038    0.12959
  1   345     -6.62484    0.09951



Forces in eV/Ang:
  0 O    -0.00001   -0.01839    1.19205
  1 Pt   -0.00014   -0.00112   -0.41299
  2 Pt   -0.00002   -0.02000   -0.44214
  3 O    -1.68059    0.00025   -0.71787
  4 O     1.68061    0.00025   -0.71789
  5 O     0.00014   -0.06792   -1.36493
  6 O    -0.00006    0.00250    1.76617
  7 Pt   -0.00003    0.01875    0.46389
  8 Pt   -0.00008    0.15205    0.84997
  9 O    -1.58127    0.00289    0.07368
 10 O     1.58119    0.00303    0.07380
 11 O     0.00013    0.01346   -0.60784
 12 O    -0.00054   -0.03118    0.14317
 13 Pt   -0.00017    0.31531   -0.13123
 14 Pt    0.00081   -0.01828    0.01225
 15 O     0.01917   -0.00240    0.00954
 16 O    -0.01770   -0.00389    0.00769
 17 O     0.02318    0.16480   -0.88125
 18 O     0.00075   -0.00628    0.01474
 19 Pt    0.00106    0.03402    0.10319
 20 Pt   -0.01135   -0.58424    0.05384
 21 O    -0.31143    0.48297    0.30266
 22 O     0.31371    0.48114    0.29937
 23 O    -0.00284   -0.01534   -0.07794
 24 O     0.00001   -0.00175    1.15816
 25 Pt   -0.00017    0.05811   -0.40623
 26 Pt    0.00000   -0.00132   -0.43502
 27 O    -1.69156    0.01238   -0.71635
 28 O     1.69159    0.01239   -0.71637
 29 O     0.00020    0.04005   -1.44006
 30 O    -0.00002   -0.00025    1.82151
 31 Pt   -0.00004    0.00671    0.53885
 32 Pt    0.00014   -0.13029    0.72966
 33 O    -1.60472   -0.01498    0.03911
 34 O     1.60462   -0.01508    0.03917
 35 O     0.00027   -0.01192   -0.67073
 36 O    -0.00083    0.23747   -0.13078
 37 Pt    0.00017   -0.23276   -0.08759
 38 Pt   -0.00007    0.00889    0.00631
 39 O     0.02325   -0.00499   -0.00307
 40 O    -0.02221   -0.00345   -0.00472
 41 O     0.00024    0.00191    0.09974
 42 O    -0.00166   -0.03176    0.01705
 43 Pt    0.00198    0.04881   -0.01456
 44 Pt   -0.00040   -0.16860   -0.09349
 45 O    -0.11056   -0.22097    0.27047
 46 O     0.11297   -0.22227    0.26872
 47 O     0.00034   -0.01849   -0.02160
 48 O     0.00002    0.01913    1.18730
 49 Pt   -0.00013   -0.05472   -0.40221
 50 Pt    0.00001    0.02154   -0.44133
 51 O    -1.69195   -0.01273   -0.71703
 52 O     1.69200   -0.01274   -0.71701
 53 O     0.00020    0.02255   -1.38114
 54 O    -0.00005   -0.00333    1.77418
 55 Pt    0.00013   -0.02213    0.52663
 56 Pt    0.00010   -0.00352    0.69520
 57 O    -1.60907    0.00869    0.06820
 58 O     1.60902    0.00869    0.06799
 59 O     0.00019   -0.01270   -0.57888
 60 O    -0.00078   -0.22636   -0.10800
 61 Pt    0.00053   -0.06358   -0.17252
 62 Pt    0.00011    0.00333    0.01526
 63 O    -0.01081   -0.00081    0.00555
 64 O     0.01070   -0.00071    0.00493
 65 O     0.00006   -0.01940    0.03865
 66 O    -0.00088   -0.00946   -0.00293
 67 Pt   -0.00075    0.00150    0.03756
 68 Pt   -0.00001    0.11067    0.00713
 69 O    -0.00539    0.03232    0.00367
 70 O     0.00341    0.03081    0.00413
 71 O     0.00041   -0.00421   -0.03431
 72 N    -0.00530    0.05083    0.29962
 73 N     0.04380   -0.06646   -0.33766
 74 O    -0.00265   -0.03345    0.01947

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.226901    2.008668   25.377305    ( 0.0000,  0.0000,  0.0000)
  73 N      3.217580    1.825318   24.291335    ( 0.0000,  0.0000,  0.0000)
  74 O      3.252547    4.765948   23.001349    ( 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  07:01:44  -4.13   +inf  -418.623310    3      1      
iter:   2  07:05:06  -3.12  -2.70  -420.811083    3      1      
iter:   3  07:08:32  -3.40  -1.94  -418.576115    3      1      
iter:   4  07:12:00  -4.19  -3.36  -418.569662    3      1      
iter:   5  07:15:21  -4.76  -3.52  -418.569948    2      1      
iter:   6  07:18:48  -4.88  -3.58  -418.568083    2      1      
iter:   7  07:22:15  -5.44  -4.14  -418.567755    2      1      
iter:   8  07:25:35  -5.90  -4.36  -418.567627    2      1      
iter:   9  07:29:03  -6.34  -4.51  -418.567743    2      1      
iter:  10  07:32:29  -6.78  -4.74  -418.567409    2      1      
iter:  11  07:35:51  -7.08  -4.55  -418.567696    2      1      
iter:  12  07:39:18  -6.93  -4.36  -418.567600    2      1      
iter:  13  07:42:40  -7.50  -4.99  -418.567673    2      1      

Converged after 13 iterations.

Dipole moment: (-55.906666, -33.273947, -0.251292) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +15.309470
Potential:     -135.883756
External:        +0.000000
XC:            -308.201131
Entropy (-ST):   -1.697660
Local:          +11.056574
--------------------------
Free energy:   -419.416503
Extrapolated:  -418.567673

Fermi level: -6.74974

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.80432    0.14071
  0   343     -6.80152    0.13925
  0   344     -6.74134    0.10645
  0   345     -6.73916    0.10524

  1   342     -6.75536    0.22847
  1   343     -6.68876    0.15649
  1   344     -6.66112    0.12973
  1   345     -6.62543    0.09951



Forces in eV/Ang:
  0 O    -0.00001   -0.01839    1.19142
  1 Pt   -0.00014   -0.00115   -0.41226
  2 Pt   -0.00002   -0.02000   -0.44202
  3 O    -1.67807    0.00025   -0.71818
  4 O     1.67809    0.00025   -0.71821
  5 O     0.00014   -0.06797   -1.36473
  6 O    -0.00006    0.00241    1.77380
  7 Pt   -0.00003    0.01872    0.46576
  8 Pt   -0.00007    0.15211    0.85111
  9 O    -1.58107    0.00291    0.07410
 10 O     1.58099    0.00304    0.07422
 11 O     0.00013    0.01340   -0.60678
 12 O    -0.00055   -0.03119    0.14406
 13 Pt   -0.00022    0.31540   -0.12938
 14 Pt    0.00084   -0.01809    0.01365
 15 O     0.01893   -0.00240    0.00981
 16 O    -0.01745   -0.00389    0.00794
 17 O     0.02310    0.16448   -0.87661
 18 O     0.00086   -0.00590    0.01407
 19 Pt    0.00129    0.03397    0.10207
 20 Pt   -0.01138   -0.58287    0.05290
 21 O    -0.31276    0.48284    0.30069
 22 O     0.31483    0.48134    0.29786
 23 O    -0.00222   -0.01537   -0.07781
 24 O     0.00001   -0.00176    1.15757
 25 Pt   -0.00017    0.05818   -0.40553
 26 Pt    0.00000   -0.00131   -0.43492
 27 O    -1.68904    0.01239   -0.71666
 28 O     1.68907    0.01240   -0.71668
 29 O     0.00021    0.04002   -1.44004
 30 O    -0.00002   -0.00023    1.82917
 31 Pt   -0.00004    0.00674    0.54083
 32 Pt    0.00014   -0.13019    0.73108
 33 O    -1.60453   -0.01501    0.03961
 34 O     1.60443   -0.01511    0.03966
 35 O     0.00028   -0.01193   -0.66977
 36 O    -0.00083    0.23797   -0.12971
 37 Pt    0.00014   -0.23366   -0.08542
 38 Pt   -0.00006    0.00864    0.00740
 39 O     0.02265   -0.00511   -0.00230
 40 O    -0.02161   -0.00356   -0.00397
 41 O     0.00022    0.00466    0.09963
 42 O    -0.00164   -0.03233    0.01639
 43 Pt    0.00223    0.04932   -0.01532
 44 Pt   -0.00042   -0.17815   -0.08652
 45 O    -0.10943   -0.22318    0.26367
 46 O     0.11170   -0.22462    0.26248
 47 O     0.00048   -0.01843   -0.02155
 48 O     0.00002    0.01910    1.18666
 49 Pt   -0.00013   -0.05470   -0.40154
 50 Pt    0.00001    0.02153   -0.44117
 51 O    -1.68944   -0.01274   -0.71736
 52 O     1.68949   -0.01275   -0.71734
 53 O     0.00020    0.02250   -1.38109
 54 O    -0.00005   -0.00324    1.78175
 55 Pt    0.00013   -0.02218    0.52862
 56 Pt    0.00010   -0.00330    0.69682
 57 O    -1.60887    0.00870    0.06869
 58 O     1.60882    0.00870    0.06848
 59 O     0.00020   -0.01263   -0.57786
 60 O    -0.00077   -0.22450   -0.10812
 61 Pt    0.00054   -0.06460   -0.17183
 62 Pt    0.00012    0.00351    0.01633
 63 O    -0.01117   -0.00083    0.00600
 64 O     0.01106   -0.00073    0.00538
 65 O     0.00007   -0.01882    0.04273
 66 O    -0.00088   -0.00917   -0.00362
 67 Pt   -0.00069    0.00184    0.03730
 68 Pt   -0.00004    0.11263    0.00657
 69 O    -0.00764    0.02908    0.00694
 70 O     0.00566    0.02750    0.00754
 71 O     0.00049   -0.00464   -0.03439
 72 N    -0.00126    0.04967    0.36288
 73 N     0.05530   -0.08254   -0.37946
 74 O    -0.00112   -0.02145    0.01369

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.228571    2.007114   25.382713    ( 0.0000,  0.0000,  0.0000)
  73 N      3.222044    1.823828   24.294990    ( 0.0000,  0.0000,  0.0000)
  74 O      3.252694    4.755147   23.000742    ( 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  08:25:55  -3.47   +inf  -418.637852    3      1      
iter:   2  08:29:24  -2.97  -2.64  -421.535875    2      1      
iter:   3  08:32:53  -3.23  -1.88  -418.577989    3      1      
iter:   4  08:36:14  -4.09  -3.34  -418.574945    2      1      
iter:   5  08:39:43  -4.31  -3.28  -418.571508    3      1      
iter:   6  08:43:12  -4.86  -3.81  -418.569108    2      1      
iter:   7  08:46:34  -5.52  -4.01  -418.570075    3      1      
iter:   8  08:50:02  -5.74  -3.92  -418.569479    3      1      
iter:   9  08:53:31  -5.90  -3.96  -418.568795    3      1      
iter:  10  08:56:56  -6.19  -4.44  -418.569348    3      1      
iter:  11  09:00:20  -6.37  -3.88  -418.569114    3      1      
iter:  12  09:03:49  -6.32  -4.31  -418.568588    2      1      
iter:  13  09:07:18  -6.86  -4.20  -418.568647    2      1      
iter:  14  09:10:47  -6.84  -4.44  -418.568774    3      1      
iter:  15  09:14:08  -6.74  -4.62  -418.568647    2      1      
iter:  16  09:17:35  -7.25  -4.71  -418.568656    2      1      
iter:  17  09:21:03  -7.58  -4.76  -418.568671    2      1      

Converged after 17 iterations.

Dipole moment: (-55.906480, -33.273616, -0.250179) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.963338
Potential:     -135.601257
External:        +0.000000
XC:            -308.136937
Entropy (-ST):   -1.697204
Local:          +11.054786
--------------------------
Free energy:   -419.417273
Extrapolated:  -418.568671

Fermi level: -6.74909

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.80346    0.14060
  0   343     -6.80065    0.13914
  0   344     -6.74111    0.10668
  0   345     -6.73849    0.10523

  1   342     -6.75469    0.22845
  1   343     -6.68804    0.15642
  1   344     -6.66065    0.12990
  1   345     -6.62475    0.09949



Forces in eV/Ang:
  0 O    -0.00001   -0.01843    1.19147
  1 Pt   -0.00014   -0.00121   -0.41175
  2 Pt   -0.00002   -0.02000   -0.44060
  3 O    -1.67909    0.00026   -0.71763
  4 O     1.67911    0.00026   -0.71766
  5 O     0.00014   -0.06809   -1.36485
  6 O    -0.00006    0.00242    1.77114
  7 Pt   -0.00003    0.01869    0.46551
  8 Pt   -0.00007    0.15253    0.85056
  9 O    -1.58149    0.00295    0.07392
 10 O     1.58141    0.00309    0.07404
 11 O     0.00013    0.01338   -0.60762
 12 O    -0.00055   -0.02912    0.14422
 13 Pt   -0.00027    0.31560   -0.13082
 14 Pt    0.00081   -0.01814    0.01200
 15 O     0.01874   -0.00239    0.00951
 16 O    -0.01725   -0.00387    0.00767
 17 O     0.02294    0.16438   -0.87770
 18 O     0.00076   -0.00627    0.01397
 19 Pt    0.00096    0.03399    0.10449
 20 Pt   -0.01027   -0.57769    0.06284
 21 O    -0.31271    0.48244    0.30092
 22 O     0.31490    0.48077    0.29808
 23 O    -0.00223   -0.01565   -0.07474
 24 O     0.00001   -0.00181    1.15761
 25 Pt   -0.00017    0.05830   -0.40498
 26 Pt    0.00000   -0.00131   -0.43348
 27 O    -1.69005    0.01239   -0.71611
 28 O     1.69008    0.01240   -0.71613
 29 O     0.00020    0.03996   -1.44002
 30 O    -0.00002   -0.00024    1.82638
 31 Pt   -0.00004    0.00675    0.54056
 32 Pt    0.00015   -0.13000    0.73104
 33 O    -1.60496   -0.01497    0.03942
 34 O     1.60485   -0.01507    0.03948
 35 O     0.00027   -0.01188   -0.67052
 36 O    -0.00082    0.23754   -0.13012
 37 Pt    0.00011   -0.23729   -0.08669
 38 Pt   -0.00006    0.00904    0.00575
 39 O     0.02252   -0.00510   -0.00305
 40 O    -0.02148   -0.00357   -0.00471
 41 O     0.00019    0.01359    0.09853
 42 O    -0.00163   -0.03216    0.01590
 43 Pt    0.00170    0.05001   -0.01115
 44 Pt   -0.00007   -0.19820   -0.07974
 45 O    -0.10613   -0.22901    0.25652
 46 O     0.10866   -0.23019    0.25531
 47 O     0.00034   -0.01988   -0.02037
 48 O     0.00003    0.01910    1.18667
 49 Pt   -0.00014   -0.05461   -0.40105
 50 Pt    0.00001    0.02152   -0.43969
 51 O    -1.69047   -0.01274   -0.71681
 52 O     1.69052   -0.01275   -0.71679
 53 O     0.00020    0.02243   -1.38148
 54 O    -0.00005   -0.00325    1.77902
 55 Pt    0.00013   -0.02223    0.52833
 56 Pt    0.00010   -0.00306    0.69757
 57 O    -1.60934    0.00866    0.06846
 58 O     1.60929    0.00866    0.06825
 59 O     0.00019   -0.01265   -0.57878
 60 O    -0.00076   -0.22325   -0.10928
 61 Pt    0.00055   -0.06554   -0.17417
 62 Pt    0.00012    0.00340    0.01477
 63 O    -0.01123   -0.00106    0.00578
 64 O     0.01113   -0.00095    0.00516
 65 O     0.00003   -0.01950    0.03844
 66 O    -0.00087   -0.00874   -0.00422
 67 Pt   -0.00082    0.00228    0.03770
 68 Pt    0.00011    0.11737    0.00917
 69 O    -0.01094    0.02302    0.01221
 70 O     0.00908    0.02130    0.01278
 71 O     0.00042   -0.00377   -0.03247
 72 N    -0.01188    0.01053    0.13055
 73 N     0.03400   -0.05398   -0.13674
 74 O     0.00192   -0.01360    0.00194

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                N O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.230150    2.005502   25.388113    ( 0.0000,  0.0000,  0.0000)
  73 N      3.226392    1.822294   24.299507    ( 0.0000,  0.0000,  0.0000)
  74 O      3.252899    4.744796   22.999908    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:27:28  -3.52   +inf  -418.569462    3      1      
iter:   2  10:31:12  -4.51  -4.04  -418.570538    3      1      
iter:   3  10:34:48  -5.11  -3.73  -418.570511    2      1      
iter:   4  10:38:31  -5.59  -3.77  -418.569294    2      1      
iter:   5  10:42:15  -5.72  -3.98  -418.569670    3      1      
iter:   6  10:45:55  -5.70  -4.16  -418.570199    3      1      
iter:   7  10:49:34  -6.10  -3.88  -418.569546    2      1      
iter:   8  10:53:18  -6.45  -4.37  -418.569645    2      1      
iter:   9  10:57:01  -6.45  -4.51  -418.569170    2      1      
iter:  10  11:00:37  -6.79  -4.36  -418.569500    2      1      
iter:  11  11:04:20  -6.91  -4.18  -418.569347    2      1      
iter:  12  11:07:56  -7.50  -4.89  -418.569354    2      1      

Converged after 12 iterations.

Dipole moment: (-55.906262, -33.271742, -0.250843) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.781157
Potential:     -135.451377
External:        +0.000000
XC:            -308.105147
Entropy (-ST):   -1.696635
Local:          +11.054331
--------------------------
Free energy:   -419.417671
Extrapolated:  -418.569354

Fermi level: -6.74979

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.80410    0.14056
  0   343     -6.80127    0.13909
  0   344     -6.74222    0.10691
  0   345     -6.73914    0.10520

  1   342     -6.75539    0.22844
  1   343     -6.68871    0.15639
  1   344     -6.66153    0.13006
  1   345     -6.62540    0.09944



Forces in eV/Ang:
  0 O    -0.00001   -0.01845    1.19144
  1 Pt   -0.00014   -0.00127   -0.41168
  2 Pt   -0.00002   -0.02000   -0.44074
  3 O    -1.67962    0.00026   -0.71754
  4 O     1.67964    0.00026   -0.71757
  5 O     0.00014   -0.06821   -1.36414
  6 O    -0.00005    0.00257    1.77049
  7 Pt   -0.00003    0.01865    0.46503
  8 Pt   -0.00007    0.15296    0.84928
  9 O    -1.58138    0.00297    0.07385
 10 O     1.58130    0.00310    0.07397
 11 O     0.00013    0.01346   -0.60809
 12 O    -0.00056   -0.02731    0.14564
 13 Pt   -0.00031    0.31577   -0.13170
 14 Pt    0.00079   -0.01815    0.01213
 15 O     0.01889   -0.00245    0.00936
 16 O    -0.01739   -0.00390    0.00753
 17 O     0.02299    0.16433   -0.88052
 18 O     0.00077   -0.00594    0.01427
 19 Pt    0.00098    0.03407    0.10550
 20 Pt   -0.00998   -0.57378    0.06400
 21 O    -0.31224    0.48189    0.30157
 22 O     0.31433    0.48050    0.29966
 23 O    -0.00131   -0.01591   -0.07481
 24 O     0.00001   -0.00186    1.15756
 25 Pt   -0.00017    0.05837   -0.40490
 26 Pt    0.00000   -0.00132   -0.43356
 27 O    -1.69055    0.01239   -0.71601
 28 O     1.69058    0.01240   -0.71604
 29 O     0.00021    0.03990   -1.43957
 30 O    -0.00002   -0.00027    1.82576
 31 Pt   -0.00005    0.00671    0.54003
 32 Pt    0.00016   -0.12979    0.73035
 33 O    -1.60482   -0.01501    0.03938
 34 O     1.60471   -0.01511    0.03943
 35 O     0.00027   -0.01188   -0.67113
 36 O    -0.00084    0.23774   -0.12958
 37 Pt    0.00011   -0.23973   -0.08642
 38 Pt   -0.00008    0.00923    0.00584
 39 O     0.02288   -0.00534   -0.00339
 40 O    -0.02186   -0.00382   -0.00502
 41 O     0.00017    0.02074    0.09726
 42 O    -0.00164   -0.03261    0.01590
 43 Pt    0.00170    0.05028   -0.00952
 44 Pt    0.00011   -0.21532   -0.07414
 45 O    -0.10208   -0.23456    0.24721
 46 O     0.10467   -0.23568    0.24675
 47 O     0.00050   -0.02005   -0.01985
 48 O     0.00003    0.01908    1.18663
 49 Pt   -0.00014   -0.05449   -0.40101
 50 Pt    0.00001    0.02153   -0.43979
 51 O    -1.69099   -0.01273   -0.71671
 52 O     1.69104   -0.01274   -0.71669
 53 O     0.00021    0.02236   -1.38107
 54 O    -0.00005   -0.00336    1.77824
 55 Pt    0.00013   -0.02224    0.52778
 56 Pt    0.00010   -0.00292    0.69715
 57 O    -1.60927    0.00871    0.06838
 58 O     1.60922    0.00871    0.06817
 59 O     0.00019   -0.01273   -0.57926
 60 O    -0.00077   -0.22187   -0.10983
 61 Pt    0.00059   -0.06701   -0.17582
 62 Pt    0.00010    0.00344    0.01472
 63 O    -0.01089   -0.00098    0.00568
 64 O     0.01078   -0.00087    0.00507
 65 O     0.00003   -0.01967    0.03422
 66 O    -0.00088   -0.00849   -0.00428
 67 Pt   -0.00088    0.00295    0.03939
 68 Pt    0.00028    0.12025    0.01243
 69 O    -0.01481    0.01704    0.02121
 70 O     0.01297    0.01510    0.02217
 71 O     0.00048   -0.00384   -0.03167
 72 N    -0.02048   -0.00177    0.00885
 73 N    -0.00392   -0.04877   -0.03541
 74 O     0.00320   -0.02336    0.00821

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 NO  Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.232330    2.003156   25.395690    ( 0.0000,  0.0000,  0.0000)
  73 N      3.232145    1.819931   24.306551    ( 0.0000,  0.0000,  0.0000)
  74 O      3.253224    4.729532   22.998796    ( 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  11:46:44  -3.21   +inf  -418.586777    3      1      
iter:   2  11:50:21  -3.52  -2.97  -419.249922    3      1      
iter:   3  11:54:05  -3.82  -2.17  -418.570868    3      1      
iter:   4  11:57:47  -4.74  -3.80  -418.570904    3      1      
iter:   5  12:01:31  -5.01  -3.77  -418.569795    2      1      
iter:   6  12:05:06  -5.21  -3.98  -418.570953    3      1      
iter:   7  12:08:49  -5.97  -3.85  -418.569843    3      1      
iter:   8  12:12:32  -5.87  -4.27  -418.569783    3      1      
iter:   9  12:16:15  -6.18  -4.53  -418.569972    2      1      
iter:  10  12:19:51  -6.30  -4.24  -418.569810    2      1      
iter:  11  12:23:34  -6.59  -4.00  -418.569313    2      1      
iter:  12  12:27:18  -6.65  -4.27  -418.569846    2      1      
iter:  13  12:30:55  -6.70  -4.11  -418.569663    2      1      
iter:  14  12:34:37  -7.28  -4.89  -418.569585    2      1      
iter:  15  12:38:19  -7.27  -4.59  -418.569609    2      1      
iter:  16  12:41:59  -7.97  -4.67  -418.569659    2      1      

Converged after 16 iterations.

Dipole moment: (-55.905384, -33.268587, -0.254398) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.652829
Potential:     -135.348658
External:        +0.000000
XC:            -308.080420
Entropy (-ST):   -1.695763
Local:          +11.054472
--------------------------
Free energy:   -419.417540
Extrapolated:  -418.569659

Fermi level: -6.75278

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.80713    0.14058
  0   343     -6.80429    0.13911
  0   344     -6.74562    0.10714
  0   345     -6.74222    0.10525

  1   342     -6.75833    0.22839
  1   343     -6.69176    0.15645
  1   344     -6.66481    0.13034
  1   345     -6.62829    0.09937



Forces in eV/Ang:
  0 O    -0.00001   -0.01851    1.19126
  1 Pt   -0.00014   -0.00134   -0.41177
  2 Pt   -0.00002   -0.02000   -0.44132
  3 O    -1.67940    0.00027   -0.71765
  4 O     1.67942    0.00027   -0.71769
  5 O     0.00014   -0.06835   -1.36393
  6 O    -0.00005    0.00248    1.77064
  7 Pt   -0.00003    0.01860    0.46530
  8 Pt   -0.00007    0.15345    0.84858
  9 O    -1.58145    0.00305    0.07401
 10 O     1.58138    0.00318    0.07414
 11 O     0.00013    0.01336   -0.60705
 12 O    -0.00061   -0.02595    0.14686
 13 Pt   -0.00039    0.31603   -0.13204
 14 Pt    0.00080   -0.01808    0.01207
 15 O     0.01860   -0.00245    0.00933
 16 O    -0.01709   -0.00388    0.00750
 17 O     0.02315    0.16409   -0.87769
 18 O     0.00083   -0.00584    0.01466
 19 Pt    0.00139    0.03422    0.10716
 20 Pt   -0.01071   -0.56934    0.06529
 21 O    -0.31323    0.48193    0.30061
 22 O     0.31504    0.48096    0.29950
 23 O    -0.00016   -0.01661   -0.07595
 24 O     0.00001   -0.00193    1.15740
 25 Pt   -0.00017    0.05852   -0.40497
 26 Pt    0.00000   -0.00132   -0.43413
 27 O    -1.69032    0.01240   -0.71610
 28 O     1.69035    0.01241   -0.71613
 29 O     0.00022    0.03978   -1.43948
 30 O    -0.00002   -0.00027    1.82578
 31 Pt   -0.00005    0.00668    0.54033
 32 Pt    0.00016   -0.12947    0.73024
 33 O    -1.60488   -0.01504    0.03960
 34 O     1.60477   -0.01514    0.03965
 35 O     0.00027   -0.01185   -0.67017
 36 O    -0.00088    0.23775   -0.12875
 37 Pt    0.00006   -0.24419   -0.08539
 38 Pt   -0.00007    0.00955    0.00570
 39 O     0.02253   -0.00546   -0.00324
 40 O    -0.02151   -0.00395   -0.00488
 41 O     0.00019    0.03240    0.09639
 42 O    -0.00161   -0.03276    0.01569
 43 Pt    0.00211    0.05091   -0.00781
 44 Pt    0.00002   -0.23506   -0.05508
 45 O    -0.09662   -0.24297    0.23277
 46 O     0.09927   -0.24394    0.23372
 47 O     0.00083   -0.01909   -0.01931
 48 O     0.00003    0.01907    1.18639
 49 Pt   -0.00014   -0.05435   -0.40116
 50 Pt    0.00001    0.02153   -0.44026
 51 O    -1.69079   -0.01275   -0.71682
 52 O     1.69084   -0.01275   -0.71680
 53 O     0.00022    0.02228   -1.38118
 54 O    -0.00005   -0.00328    1.77835
 55 Pt    0.00013   -0.02228    0.52804
 56 Pt    0.00011   -0.00247    0.69829
 57 O    -1.60937    0.00872    0.06855
 58 O     1.60932    0.00872    0.06834
 59 O     0.00018   -0.01265   -0.57839
 60 O    -0.00080   -0.21991   -0.11014
 61 Pt    0.00060   -0.06920   -0.17728
 62 Pt    0.00010    0.00343    0.01458
 63 O    -0.01099   -0.00120    0.00586
 64 O     0.01089   -0.00109    0.00527
 65 O     0.00005   -0.02030    0.03436
 66 O    -0.00088   -0.00821   -0.00441
 67 Pt   -0.00085    0.00349    0.04342
 68 Pt    0.00025    0.12398    0.01924
 69 O    -0.02240    0.00693    0.03165
 70 O     0.02070    0.00456    0.03301
 71 O     0.00058   -0.00464   -0.03106
 72 N    -0.06945    0.02304   -0.04915
 73 N    -0.06784   -0.01960    0.05147
 74 O     0.00022    0.08180    0.00139

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 NO  Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.232884    2.001696   25.403829    ( 0.0000,  0.0000,  0.0000)
  73 N      3.236009    1.817800   24.314540    ( 0.0000,  0.0000,  0.0000)
  74 O      3.253507    4.717521   22.997685    ( 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  13:33:59  -3.30   +inf  -418.577365    3      1      
iter:   2  13:37:43  -3.78  -3.14  -418.879921    2      1      
iter:   3  13:41:27  -4.13  -2.34  -418.571341    3      1      
iter:   4  13:45:11  -5.04  -3.64  -418.569578    2      1      
iter:   5  13:48:47  -5.13  -3.93  -418.570562    3      1      
iter:   6  13:52:29  -5.24  -3.90  -418.569320    2      1      
iter:   7  13:56:13  -5.94  -3.76  -418.570032    2      1      
iter:   8  13:59:57  -6.22  -4.17  -418.569453    2      1      
iter:   9  14:03:40  -6.63  -4.59  -418.569625    2      1      
iter:  10  14:07:20  -6.42  -4.31  -418.569405    2      1      
iter:  11  14:10:58  -6.55  -4.33  -418.569301    2      1      
iter:  12  14:14:42  -6.62  -4.03  -418.569163    2      1      
iter:  13  14:18:26  -7.03  -4.61  -418.569459    2      1      
iter:  14  14:22:09  -7.50  -4.91  -418.569344    2      1      

Converged after 14 iterations.

Dipole moment: (-55.905375, -33.266006, -0.255771) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.596923
Potential:     -135.304978
External:        +0.000000
XC:            -308.068576
Entropy (-ST):   -1.695163
Local:          +11.054869
--------------------------
Free energy:   -419.416925
Extrapolated:  -418.569344

Fermi level: -6.75369

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.80809    0.14061
  0   343     -6.80524    0.13914
  0   344     -6.74693    0.10736
  0   345     -6.74315    0.10526

  1   342     -6.75918    0.22833
  1   343     -6.69272    0.15650
  1   344     -6.66595    0.13054
  1   345     -6.62916    0.09934



Forces in eV/Ang:
  0 O    -0.00001   -0.01853    1.19137
  1 Pt   -0.00014   -0.00142   -0.41127
  2 Pt   -0.00002   -0.02000   -0.44066
  3 O    -1.67915    0.00028   -0.71757
  4 O     1.67916    0.00029   -0.71761
  5 O     0.00014   -0.06849   -1.36366
  6 O    -0.00005    0.00251    1.77197
  7 Pt   -0.00004    0.01852    0.46559
  8 Pt   -0.00007    0.15382    0.84819
  9 O    -1.58145    0.00305    0.07378
 10 O     1.58137    0.00318    0.07391
 11 O     0.00013    0.01335   -0.60739
 12 O    -0.00061   -0.02430    0.14817
 13 Pt   -0.00045    0.31654   -0.13211
 14 Pt    0.00081   -0.01797    0.01236
 15 O     0.01852   -0.00245    0.00917
 16 O    -0.01700   -0.00388    0.00734
 17 O     0.02294    0.16396   -0.87958
 18 O     0.00085   -0.00559    0.01462
 19 Pt    0.00120    0.03444    0.10733
 20 Pt   -0.00949   -0.56414    0.06625
 21 O    -0.31393    0.48154    0.30006
 22 O     0.31566    0.48061    0.29909
 23 O    -0.00001   -0.01663   -0.07713
 24 O     0.00001   -0.00199    1.15751
 25 Pt   -0.00018    0.05863   -0.40448
 26 Pt    0.00000   -0.00132   -0.43344
 27 O    -1.69005    0.01240   -0.71602
 28 O     1.69008    0.01241   -0.71605
 29 O     0.00022    0.03970   -1.43942
 30 O    -0.00002   -0.00026    1.82712
 31 Pt   -0.00005    0.00669    0.54062
 32 Pt    0.00017   -0.12915    0.73052
 33 O    -1.60486   -0.01502    0.03940
 34 O     1.60476   -0.01513    0.03946
 35 O     0.00026   -0.01181   -0.67056
 36 O    -0.00087    0.23834   -0.12825
 37 Pt    0.00002   -0.24760   -0.08474
 38 Pt   -0.00007    0.00967    0.00584
 39 O     0.02237   -0.00559   -0.00349
 40 O    -0.02135   -0.00408   -0.00514
 41 O     0.00010    0.04105    0.09509
 42 O    -0.00158   -0.03319    0.01533
 43 Pt    0.00168    0.05169   -0.00635
 44 Pt    0.00050   -0.25955   -0.05042
 45 O    -0.09310   -0.24949    0.22298
 46 O     0.09592   -0.25022    0.22444
 47 O     0.00081   -0.02004   -0.02000
 48 O     0.00003    0.01905    1.18649
 49 Pt   -0.00014   -0.05423   -0.40072
 50 Pt    0.00001    0.02152   -0.43952
 51 O    -1.69054   -0.01274   -0.71674
 52 O     1.69059   -0.01275   -0.71671
 53 O     0.00022    0.02220   -1.38135
 54 O    -0.00005   -0.00330    1.77962
 55 Pt    0.00013   -0.02232    0.52832
 56 Pt    0.00011   -0.00226    0.69919
 57 O    -1.60942    0.00872    0.06832
 58 O     1.60937    0.00872    0.06811
 59 O     0.00018   -0.01269   -0.57879
 60 O    -0.00078   -0.21803   -0.11122
 61 Pt    0.00061   -0.07089   -0.17829
 62 Pt    0.00011    0.00346    0.01462
 63 O    -0.01093   -0.00132    0.00588
 64 O     0.01083   -0.00120    0.00529
 65 O     0.00004   -0.02037    0.03268
 66 O    -0.00086   -0.00780   -0.00484
 67 Pt   -0.00094    0.00420    0.04340
 68 Pt    0.00037    0.12845    0.01872
 69 O    -0.02595    0.00071    0.03806
 70 O     0.02442   -0.00198    0.03958
 71 O     0.00058   -0.00470   -0.03141
 72 N    -0.03427    0.00427   -0.07483
 73 N    -0.04120   -0.02889    0.08726
 74 O     0.00245    0.09945   -0.01565

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 NO  Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.233630    2.000134   25.411966    ( 0.0000,  0.0000,  0.0000)
  73 N      3.240112    1.815591   24.322642    ( 0.0000,  0.0000,  0.0000)
  74 O      3.253799    4.705362   22.996485    ( 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  14:55:59  -3.30   +inf  -418.573807    3      1      
iter:   2  14:59:43  -4.06  -3.42  -418.635417    3      1      
iter:   3  15:03:27  -4.42  -2.65  -418.572960    3      1      
iter:   4  15:07:10  -5.05  -3.25  -418.569987    3      1      
iter:   5  15:10:46  -5.23  -4.05  -418.568612    2      1      
iter:   6  15:14:30  -5.27  -3.96  -418.569862    3      1      
iter:   7  15:18:13  -6.14  -3.98  -418.569359    2      1      
iter:   8  15:21:56  -6.38  -4.31  -418.569134    2      1      
iter:   9  15:25:39  -6.58  -4.42  -418.568982    2      1      
iter:  10  15:29:15  -6.52  -4.08  -418.569592    3      1      
iter:  11  15:32:44  -6.42  -4.35  -418.569037    2      1      
iter:  12  15:36:12  -6.84  -4.57  -418.569119    2      1      
iter:  13  15:39:40  -7.16  -4.69  -418.569200    2      1      
iter:  14  15:43:07  -7.60  -4.64  -418.569141    2      1      

Converged after 14 iterations.

Dipole moment: (-55.905133, -33.263409, -0.257394) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.559174
Potential:     -135.275888
External:        +0.000000
XC:            -308.060085
Entropy (-ST):   -1.694390
Local:          +11.054853
--------------------------
Free energy:   -419.416336
Extrapolated:  -418.569141

Fermi level: -6.75521

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.80957    0.14059
  0   343     -6.80671    0.13911
  0   344     -6.74889    0.10760
  0   345     -6.74469    0.10527

  1   342     -6.76063    0.22824
  1   343     -6.69423    0.15649
  1   344     -6.66767    0.13073
  1   345     -6.63062    0.09929



Forces in eV/Ang:
  0 O    -0.00001   -0.01856    1.19143
  1 Pt   -0.00014   -0.00149   -0.41173
  2 Pt   -0.00002   -0.02002   -0.44116
  3 O    -1.67971    0.00030   -0.71761
  4 O     1.67973    0.00030   -0.71764
  5 O     0.00014   -0.06864   -1.36364
  6 O    -0.00004    0.00252    1.76992
  7 Pt   -0.00004    0.01846    0.46486
  8 Pt   -0.00007    0.15423    0.84681
  9 O    -1.58136    0.00307    0.07361
 10 O     1.58128    0.00320    0.07374
 11 O     0.00013    0.01333   -0.60780
 12 O    -0.00062   -0.02265    0.14895
 13 Pt   -0.00052    0.31718   -0.13267
 14 Pt    0.00081   -0.01787    0.01238
 15 O     0.01867   -0.00245    0.00910
 16 O    -0.01713   -0.00386    0.00727
 17 O     0.02284    0.16382   -0.88184
 18 O     0.00082   -0.00544    0.01461
 19 Pt    0.00109    0.03466    0.10798
 20 Pt   -0.00880   -0.55925    0.06718
 21 O    -0.31453    0.48143    0.29968
 22 O     0.31620    0.48051    0.29880
 23 O     0.00020   -0.01687   -0.07826
 24 O     0.00001   -0.00205    1.15758
 25 Pt   -0.00018    0.05874   -0.40495
 26 Pt    0.00000   -0.00133   -0.43389
 27 O    -1.69059    0.01238   -0.71605
 28 O     1.69062    0.01239   -0.71608
 29 O     0.00022    0.03962   -1.43959
 30 O    -0.00002   -0.00024    1.82515
 31 Pt   -0.00006    0.00671    0.53994
 32 Pt    0.00017   -0.12880    0.72977
 33 O    -1.60475   -0.01500    0.03924
 34 O     1.60465   -0.01511    0.03930
 35 O     0.00026   -0.01176   -0.67102
 36 O    -0.00088    0.23894   -0.12844
 37 Pt   -0.00003   -0.25136   -0.08442
 38 Pt   -0.00006    0.00984    0.00571
 39 O     0.02242   -0.00568   -0.00378
 40 O    -0.02140   -0.00418   -0.00543
 41 O     0.00004    0.05031    0.09376
 42 O    -0.00156   -0.03343    0.01503
 43 Pt    0.00135    0.05244   -0.00488
 44 Pt    0.00087   -0.28159   -0.04208
 45 O    -0.08914   -0.25647    0.21239
 46 O     0.09220   -0.25689    0.21440
 47 O     0.00079   -0.02062   -0.02053
 48 O     0.00003    0.01905    1.18654
 49 Pt   -0.00014   -0.05410   -0.40122
 50 Pt    0.00001    0.02154   -0.43993
 51 O    -1.69110   -0.01274   -0.71677
 52 O     1.69115   -0.01275   -0.71675
 53 O     0.00022    0.02214   -1.38169
 54 O    -0.00005   -0.00333    1.77757
 55 Pt    0.00013   -0.02236    0.52760
 56 Pt    0.00011   -0.00206    0.69919
 57 O    -1.60939    0.00873    0.06813
 58 O     1.60935    0.00873    0.06792
 59 O     0.00017   -0.01271   -0.57931
 60 O    -0.00078   -0.21680   -0.11262
 61 Pt    0.00062   -0.07262   -0.17962
 62 Pt    0.00011    0.00346    0.01443
 63 O    -0.01056   -0.00148    0.00590
 64 O     0.01046   -0.00136    0.00530
 65 O     0.00003   -0.02083    0.03068
 66 O    -0.00085   -0.00747   -0.00522
 67 Pt   -0.00103    0.00481    0.04405
 68 Pt    0.00045    0.13260    0.01925
 69 O    -0.03011   -0.00585    0.04396
 70 O     0.02878   -0.00887    0.04556
 71 O     0.00057   -0.00482   -0.03155
 72 N    -0.01935    0.02570   -0.07521
 73 N    -0.06857   -0.02377    0.09942
 74 O     0.00197    0.10413   -0.00992

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 NO  Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.233867    1.999540   25.420190    ( 0.0000,  0.0000,  0.0000)
  73 N      3.242383    1.813439   24.331784    ( 0.0000,  0.0000,  0.0000)
  74 O      3.254084    4.696430   22.995408    ( 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  16:19:35  -3.38   +inf  -418.587799    2      1      
iter:   2  16:22:57  -3.51  -2.96  -419.291504    3      1      
iter:   3  16:26:42  -3.80  -2.16  -418.574069    3      1      
iter:   4  16:30:27  -4.79  -3.24  -418.570580    3      1      
iter:   5  16:34:12  -5.27  -3.80  -418.568770    2      1      
iter:   6  16:37:59  -5.31  -4.01  -418.569899    3      1      
iter:   7  16:41:45  -5.84  -3.96  -418.569192    2      1      
iter:   8  16:45:22  -5.91  -4.24  -418.568905    2      1      
iter:   9  16:49:07  -6.40  -4.53  -418.568970    2      1      
iter:  10  16:52:53  -6.57  -4.47  -418.569152    2      1      
iter:  11  16:56:40  -6.53  -4.28  -418.568477    2      1      
iter:  12  17:00:22  -6.87  -4.25  -418.568946    2      1      
iter:  13  17:04:03  -6.71  -4.25  -418.568937    2      1      
iter:  14  17:07:49  -6.87  -4.56  -418.568869    2      1      
iter:  15  17:11:34  -7.17  -4.97  -418.568857    2      1      
iter:  16  17:15:21  -7.57  -4.95  -418.569003    2      1      

Converged after 16 iterations.

Dipole moment: (-55.905133, -33.261046, -0.259258) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.675129
Potential:     -135.371105
External:        +0.000000
XC:            -308.080007
Entropy (-ST):   -1.693632
Local:          +11.053797
--------------------------
Free energy:   -419.415818
Extrapolated:  -418.569003

Fermi level: -6.75629

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.81101    0.14078
  0   343     -6.80816    0.13930
  0   344     -6.75014    0.10770
  0   345     -6.74592    0.10536

  1   342     -6.76164    0.22816
  1   343     -6.69547    0.15665
  1   344     -6.66895    0.13091
  1   345     -6.63163    0.09924



Forces in eV/Ang:
  0 O    -0.00001   -0.01859    1.19134
  1 Pt   -0.00015   -0.00154   -0.41169
  2 Pt   -0.00002   -0.02002   -0.44134
  3 O    -1.67847    0.00031   -0.71800
  4 O     1.67849    0.00031   -0.71803
  5 O     0.00014   -0.06873   -1.36380
  6 O    -0.00004    0.00250    1.77478
  7 Pt   -0.00004    0.01841    0.46653
  8 Pt   -0.00007    0.15447    0.84713
  9 O    -1.58093    0.00312    0.07403
 10 O     1.58085    0.00325    0.07416
 11 O     0.00013    0.01329   -0.60699
 12 O    -0.00062   -0.02158    0.15014
 13 Pt   -0.00055    0.31782   -0.13132
 14 Pt    0.00081   -0.01788    0.01405
 15 O     0.01858   -0.00249    0.00938
 16 O    -0.01703   -0.00389    0.00754
 17 O     0.02265    0.16380   -0.88003
 18 O     0.00084   -0.00536    0.01466
 19 Pt    0.00088    0.03499    0.10813
 20 Pt   -0.00789   -0.55525    0.06592
 21 O    -0.31613    0.48185    0.29921
 22 O     0.31779    0.48086    0.29826
 23 O     0.00017   -0.01691   -0.08103
 24 O     0.00002   -0.00209    1.15754
 25 Pt   -0.00018    0.05882   -0.40492
 26 Pt    0.00000   -0.00133   -0.43407
 27 O    -1.68934    0.01238   -0.71643
 28 O     1.68937    0.01239   -0.71646
 29 O     0.00022    0.03953   -1.44010
 30 O    -0.00002   -0.00027    1.82999
 31 Pt   -0.00006    0.00667    0.54156
 32 Pt    0.00018   -0.12856    0.73055
 33 O    -1.60431   -0.01507    0.03968
 34 O     1.60421   -0.01518    0.03975
 35 O     0.00026   -0.01178   -0.67032
 36 O    -0.00086    0.23972   -0.12776
 37 Pt   -0.00005   -0.25401   -0.08232
 38 Pt   -0.00006    0.01004    0.00737
 39 O     0.02228   -0.00582   -0.00334
 40 O    -0.02125   -0.00432   -0.00501
 41 O    -0.00002    0.05652    0.09383
 42 O    -0.00154   -0.03359    0.01480
 43 Pt    0.00098    0.05328   -0.00411
 44 Pt    0.00130   -0.29993   -0.03476
 45 O    -0.08801   -0.26064    0.20472
 46 O     0.09128   -0.26072    0.20711
 47 O     0.00079   -0.02110   -0.02194
 48 O     0.00003    0.01904    1.18644
 49 Pt   -0.00014   -0.05401   -0.40126
 50 Pt    0.00001    0.02155   -0.44007
 51 O    -1.68986   -0.01273   -0.71717
 52 O     1.68992   -0.01274   -0.71714
 53 O     0.00022    0.02210   -1.38226
 54 O    -0.00005   -0.00328    1.78240
 55 Pt    0.00012   -0.02235    0.52927
 56 Pt    0.00011   -0.00185    0.70062
 57 O    -1.60896    0.00876    0.06856
 58 O     1.60892    0.00876    0.06835
 59 O     0.00017   -0.01265   -0.57857
 60 O    -0.00077   -0.21538   -0.11322
 61 Pt    0.00063   -0.07409   -0.17874
 62 Pt    0.00011    0.00347    0.01601
 63 O    -0.01057   -0.00152    0.00647
 64 O     0.01047   -0.00140    0.00586
 65 O     0.00001   -0.02106    0.03416
 66 O    -0.00084   -0.00720   -0.00553
 67 Pt   -0.00114    0.00528    0.04430
 68 Pt    0.00056    0.13584    0.01804
 69 O    -0.03360   -0.01116    0.04711
 70 O     0.03245   -0.01451    0.04884
 71 O     0.00057   -0.00515   -0.03315
 72 N    -0.00387    0.04876    0.01483
 73 N    -0.04001   -0.02496    0.01416
 74 O    -0.00080    0.12186    0.00648

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 NO  Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.233997    1.999337   25.428232    ( 0.0000,  0.0000,  0.0000)
  73 N      3.244451    1.811561   24.340462    ( 0.0000,  0.0000,  0.0000)
  74 O      3.254308    4.688930   22.994649    ( 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  17:48:50  -3.42   +inf  -418.638253    3      1      
iter:   2  17:52:37  -2.97  -2.63  -421.570737    3      1      
iter:   3  17:56:22  -3.26  -1.88  -418.579515    3      1      
iter:   4  18:00:05  -4.05  -3.20  -418.573099    2      1      
iter:   5  18:03:45  -4.28  -3.40  -418.570578    3      1      
iter:   6  18:07:30  -4.90  -3.69  -418.567959    3      1      
iter:   7  18:11:16  -5.50  -3.88  -418.569768    3      1      
iter:   8  18:15:01  -5.76  -4.06  -418.568849    2      1      
iter:   9  18:18:47  -5.93  -4.23  -418.568460    2      1      
iter:  10  18:22:24  -6.20  -4.39  -418.568867    2      1      
iter:  11  18:26:11  -6.43  -4.17  -418.568765    2      1      
iter:  12  18:29:57  -6.69  -4.62  -418.568268    2      1      
iter:  13  18:33:43  -6.87  -4.37  -418.568552    2      1      
iter:  14  18:37:29  -6.86  -4.14  -418.568682    2      1      
iter:  15  18:41:16  -7.02  -4.65  -418.568559    2      1      
iter:  16  18:44:53  -7.35  -5.13  -418.568535    2      1      
iter:  17  18:48:39  -7.99  -5.10  -418.568561    2      1      

Converged after 17 iterations.

Dipole moment: (-55.905144, -33.258648, -0.260625) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.700513
Potential:     -135.389140
External:        +0.000000
XC:            -308.085148
Entropy (-ST):   -1.693415
Local:          +11.051921
--------------------------
Free energy:   -419.415269
Extrapolated:  -418.568561

Fermi level: -6.75757

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.81206    0.14066
  0   343     -6.80920    0.13917
  0   344     -6.75188    0.10795
  0   345     -6.74710    0.10530

  1   342     -6.76288    0.22812
  1   343     -6.69667    0.15657
  1   344     -6.67033    0.13100
  1   345     -6.63292    0.09925



Forces in eV/Ang:
  0 O    -0.00001   -0.01861    1.19114
  1 Pt   -0.00015   -0.00160   -0.41114
  2 Pt   -0.00002   -0.02001   -0.44039
  3 O    -1.67941    0.00031   -0.71800
  4 O     1.67943    0.00032   -0.71803
  5 O     0.00014   -0.06880   -1.36331
  6 O    -0.00004    0.00250    1.77342
  7 Pt   -0.00004    0.01836    0.46611
  8 Pt   -0.00006    0.15473    0.84643
  9 O    -1.58131    0.00314    0.07419
 10 O     1.58123    0.00327    0.07433
 11 O     0.00013    0.01329   -0.60740
 12 O    -0.00062   -0.02062    0.15085
 13 Pt   -0.00058    0.31867   -0.13260
 14 Pt    0.00080   -0.01779    0.01316
 15 O     0.01833   -0.00252    0.00951
 16 O    -0.01677   -0.00392    0.00768
 17 O     0.02253    0.16407   -0.88549
 18 O     0.00080   -0.00547    0.01478
 19 Pt    0.00069    0.03518    0.10875
 20 Pt   -0.00711   -0.55151    0.06969
 21 O    -0.31588    0.48191    0.30023
 22 O     0.31756    0.48082    0.29917
 23 O     0.00008   -0.01697   -0.08046
 24 O     0.00002   -0.00213    1.15735
 25 Pt   -0.00018    0.05892   -0.40435
 26 Pt    0.00000   -0.00132   -0.43314
 27 O    -1.69027    0.01238   -0.71642
 28 O     1.69030    0.01240   -0.71645
 29 O     0.00022    0.03947   -1.43966
 30 O    -0.00002   -0.00028    1.82857
 31 Pt   -0.00006    0.00673    0.54118
 32 Pt    0.00018   -0.12837    0.73035
 33 O    -1.60470   -0.01504    0.03986
 34 O     1.60460   -0.01515    0.03992
 35 O     0.00026   -0.01176   -0.67061
 36 O    -0.00085    0.24013   -0.12752
 37 Pt   -0.00007   -0.25673   -0.08287
 38 Pt   -0.00006    0.01021    0.00642
 39 O     0.02202   -0.00578   -0.00348
 40 O    -0.02099   -0.00429   -0.00516
 41 O    -0.00012    0.06225    0.09283
 42 O    -0.00153   -0.03371    0.01493
 43 Pt    0.00058    0.05398   -0.00294
 44 Pt    0.00178   -0.31704   -0.03441
 45 O    -0.08543   -0.26553    0.19839
 46 O     0.08892   -0.26533    0.20098
 47 O     0.00066   -0.02216   -0.02230
 48 O     0.00003    0.01903    1.18622
 49 Pt   -0.00014   -0.05396   -0.40075
 50 Pt    0.00001    0.02153   -0.43910
 51 O    -1.69082   -0.01274   -0.71717
 52 O     1.69087   -0.01275   -0.71714
 53 O     0.00022    0.02206   -1.38211
 54 O    -0.00005   -0.00325    1.78101
 55 Pt    0.00012   -0.02242    0.52888
 56 Pt    0.00011   -0.00173    0.70085
 57 O    -1.60937    0.00873    0.06869
 58 O     1.60933    0.00873    0.06848
 59 O     0.00017   -0.01267   -0.57903
 60 O    -0.00075   -0.21447   -0.11416
 61 Pt    0.00063   -0.07506   -0.18043
 62 Pt    0.00011    0.00337    0.01506
 63 O    -0.01069   -0.00164    0.00670
 64 O     0.01059   -0.00152    0.00609
 65 O    -0.00001   -0.02147    0.02893
 66 O    -0.00083   -0.00694   -0.00573
 67 Pt   -0.00127    0.00551    0.04303
 68 Pt    0.00064    0.13889    0.01768
 69 O    -0.03458   -0.01412    0.05091
 70 O     0.03361   -0.01769    0.05262
 71 O     0.00053   -0.00478   -0.03270
 72 N     0.00913    0.03207    0.06377
 73 N     0.00003   -0.03027   -0.00564
 74 O    -0.00520    0.15132    0.00183

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 NO  Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.233863    1.999269   25.435731    ( 0.0000,  0.0000,  0.0000)
  73 N      3.246157    1.809857   24.348637    ( 0.0000,  0.0000,  0.0000)
  74 O      3.254441    4.683997   22.993987    ( 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  19:40:31  -3.57   +inf  -418.569134    2      1      
iter:   2  19:44:16  -4.47  -3.83  -418.576911    2      1      
iter:   3  19:48:02  -5.00  -3.14  -418.568784    2      1      
iter:   4  19:51:46  -5.31  -4.09  -418.569809    3      1      
iter:   5  19:55:31  -5.25  -3.71  -418.568340    2      1      
iter:   6  19:59:08  -5.59  -4.30  -418.569006    2      1      
iter:   7  20:02:52  -6.34  -4.44  -418.568623    2      1      
iter:   8  20:06:37  -6.79  -4.48  -418.568780    2      1      
iter:   9  20:10:21  -6.51  -4.82  -418.568841    2      1      
iter:  10  20:14:06  -6.77  -4.88  -418.568748    2      1      
iter:  11  20:17:42  -7.33  -4.95  -418.568724    2      1      
iter:  12  20:21:26  -7.93  -4.73  -418.568809    2      1      

Converged after 12 iterations.

Dipole moment: (-55.904982, -33.256992, -0.262121) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.783509
Potential:     -135.458864
External:        +0.000000
XC:            -308.097064
Entropy (-ST):   -1.693009
Local:          +11.050115
--------------------------
Free energy:   -419.415314
Extrapolated:  -418.568809

Fermi level: -6.75882

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.81334    0.14067
  0   343     -6.81047    0.13918
  0   344     -6.75336    0.10808
  0   345     -6.74836    0.10530

  1   342     -6.76408    0.22807
  1   343     -6.69792    0.15658
  1   344     -6.67165    0.13107
  1   345     -6.63414    0.09923



Forces in eV/Ang:
  0 O    -0.00001   -0.01861    1.19158
  1 Pt   -0.00015   -0.00166   -0.41122
  2 Pt   -0.00002   -0.02001   -0.44073
  3 O    -1.67929    0.00030   -0.71771
  4 O     1.67931    0.00031   -0.71775
  5 O     0.00015   -0.06886   -1.36333
  6 O    -0.00004    0.00256    1.77229
  7 Pt   -0.00004    0.01832    0.46583
  8 Pt   -0.00006    0.15487    0.84573
  9 O    -1.58126    0.00313    0.07386
 10 O     1.58119    0.00326    0.07401
 11 O     0.00013    0.01329   -0.60745
 12 O    -0.00063   -0.01986    0.15131
 13 Pt   -0.00059    0.31939   -0.13284
 14 Pt    0.00080   -0.01780    0.01325
 15 O     0.01835   -0.00255    0.00931
 16 O    -0.01679   -0.00394    0.00749
 17 O     0.02257    0.16406   -0.88681
 18 O     0.00083   -0.00525    0.01488
 19 Pt    0.00074    0.03534    0.10903
 20 Pt   -0.00712   -0.54992    0.07069
 21 O    -0.31656    0.48217    0.29885
 22 O     0.31817    0.48122    0.29818
 23 O     0.00049   -0.01695   -0.08155
 24 O     0.00002   -0.00216    1.15778
 25 Pt   -0.00018    0.05896   -0.40443
 26 Pt    0.00000   -0.00131   -0.43347
 27 O    -1.69015    0.01240   -0.71613
 28 O     1.69018    0.01241   -0.71616
 29 O     0.00023    0.03943   -1.43983
 30 O    -0.00002   -0.00025    1.82732
 31 Pt   -0.00006    0.00667    0.54084
 32 Pt    0.00018   -0.12816    0.72998
 33 O    -1.60463   -0.01505    0.03953
 34 O     1.60453   -0.01516    0.03960
 35 O     0.00026   -0.01172   -0.67084
 36 O    -0.00087    0.24034   -0.12750
 37 Pt   -0.00007   -0.25852   -0.08270
 38 Pt   -0.00007    0.01030    0.00668
 39 O     0.02216   -0.00591   -0.00365
 40 O    -0.02114   -0.00442   -0.00532
 41 O    -0.00013    0.06578    0.09185
 42 O    -0.00153   -0.03381    0.01478
 43 Pt    0.00060    0.05418   -0.00255
 44 Pt    0.00189   -0.32532   -0.03300
 45 O    -0.08363   -0.26871    0.19463
 46 O     0.08717   -0.26843    0.19768
 47 O     0.00075   -0.02201   -0.02265
 48 O     0.00003    0.01902    1.18666
 49 Pt   -0.00014   -0.05388   -0.40085
 50 Pt    0.00001    0.02152   -0.43942
 51 O    -1.69070   -0.01274   -0.71687
 52 O     1.69075   -0.01275   -0.71684
 53 O     0.00023    0.02204   -1.38225
 54 O    -0.00005   -0.00333    1.77977
 55 Pt    0.00012   -0.02236    0.52855
 56 Pt    0.00011   -0.00170    0.70075
 57 O    -1.60933    0.00876    0.06836
 58 O     1.60930    0.00876    0.06816
 59 O     0.00017   -0.01271   -0.57913
 60 O    -0.00076   -0.21397   -0.11448
 61 Pt    0.00064   -0.07586   -0.18106
 62 Pt    0.00011    0.00341    0.01516
 63 O    -0.01050   -0.00162    0.00653
 64 O     0.01040   -0.00149    0.00592
 65 O    -0.00000   -0.02151    0.02864
 66 O    -0.00083   -0.00697   -0.00591
 67 Pt   -0.00129    0.00586    0.04365
 68 Pt    0.00071    0.14032    0.01786
 69 O    -0.03660   -0.01694    0.05344
 70 O     0.03565   -0.02065    0.05533
 71 O     0.00057   -0.00520   -0.03324
 72 N     0.03204    0.04914    0.13667
 73 N     0.01196   -0.04465   -0.03263
 74 O    -0.00346    0.17986   -0.00416

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 NO  Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.233535    1.999895   25.438336    ( 0.0000,  0.0000,  0.0000)
  73 N      3.246356    1.809505   24.350564    ( 0.0000,  0.0000,  0.0000)
  74 O      3.254375    4.683777   22.994179    ( 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  21:13:49  -4.54   +inf  -418.577487    3      1      
iter:   2  21:17:35  -3.75  -3.02  -419.139522    3      1      
iter:   3  21:21:20  -3.94  -2.22  -418.576795    3      1      
iter:   4  21:25:05  -4.83  -3.32  -418.570453    3      1      
iter:   5  21:28:50  -5.27  -3.74  -418.569404    2      1      
iter:   6  21:32:27  -5.83  -4.42  -418.569433    3      1      
iter:   7  21:36:12  -6.03  -4.14  -418.569044    2      1      
iter:   8  21:39:56  -6.65  -4.61  -418.569344    2      1      
iter:   9  21:43:41  -6.65  -4.21  -418.568955    2      1      
iter:  10  21:47:26  -7.18  -4.63  -418.569122    2      1      
iter:  11  21:51:11  -7.34  -4.81  -418.568978    2      1      
iter:  12  21:54:51  -7.32  -5.11  -418.568961    2      1      
iter:  13  21:58:32  -7.82  -5.04  -418.568945    2      1      

Converged after 13 iterations.

Dipole moment: (-55.905136, -33.257339, -0.260841) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.573631
Potential:     -135.283130
External:        +0.000000
XC:            -308.061533
Entropy (-ST):   -1.693164
Local:          +11.048669
--------------------------
Free energy:   -419.415527
Extrapolated:  -418.568945

Fermi level: -6.75802

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.81235    0.14058
  0   343     -6.80948    0.13909
  0   344     -6.75272    0.10817
  0   345     -6.74748    0.10526

  1   342     -6.76327    0.22806
  1   343     -6.69706    0.15651
  1   344     -6.67083    0.13105
  1   345     -6.63336    0.09925



Forces in eV/Ang:
  0 O    -0.00001   -0.01862    1.19122
  1 Pt   -0.00015   -0.00166   -0.41119
  2 Pt   -0.00002   -0.02001   -0.44092
  3 O    -1.67953    0.00031   -0.71765
  4 O     1.67954    0.00032   -0.71768
  5 O     0.00014   -0.06885   -1.36284
  6 O    -0.00004    0.00257    1.77067
  7 Pt   -0.00004    0.01832    0.46526
  8 Pt   -0.00006    0.15491    0.84552
  9 O    -1.58154    0.00316    0.07384
 10 O     1.58146    0.00329    0.07399
 11 O     0.00013    0.01333   -0.60807
 12 O    -0.00061   -0.01976    0.15132
 13 Pt   -0.00061    0.31991   -0.13387
 14 Pt    0.00081   -0.01777    0.01244
 15 O     0.01835   -0.00253    0.00915
 16 O    -0.01679   -0.00393    0.00731
 17 O     0.02241    0.16413   -0.89107
 18 O     0.00082   -0.00543    0.01472
 19 Pt    0.00055    0.03550    0.11061
 20 Pt   -0.00641   -0.54889    0.07482
 21 O    -0.31606    0.48223    0.30036
 22 O     0.31770    0.48111    0.29926
 23 O     0.00009   -0.01700   -0.07790
 24 O     0.00002   -0.00216    1.15740
 25 Pt   -0.00018    0.05899   -0.40435
 26 Pt    0.00000   -0.00131   -0.43364
 27 O    -1.69037    0.01239   -0.71605
 28 O     1.69040    0.01240   -0.71608
 29 O     0.00022    0.03939   -1.43930
 30 O    -0.00002   -0.00031    1.82582
 31 Pt   -0.00006    0.00676    0.54031
 32 Pt    0.00018   -0.12817    0.72987
 33 O    -1.60491   -0.01502    0.03950
 34 O     1.60481   -0.01514    0.03957
 35 O     0.00026   -0.01176   -0.67124
 36 O    -0.00085    0.24079   -0.12781
 37 Pt   -0.00010   -0.25913   -0.08392
 38 Pt   -0.00005    0.01028    0.00542
 39 O     0.02206   -0.00583   -0.00403
 40 O    -0.02103   -0.00434   -0.00571
 41 O    -0.00018    0.06616    0.09135
 42 O    -0.00152   -0.03382    0.01460
 43 Pt    0.00031    0.05431   -0.00042
 44 Pt    0.00211   -0.33158   -0.03253
 45 O    -0.08403   -0.26893    0.19650
 46 O     0.08757   -0.26869    0.19909
 47 O     0.00056   -0.02340   -0.02107
 48 O     0.00003    0.01902    1.18628
 49 Pt   -0.00015   -0.05391   -0.40081
 50 Pt    0.00001    0.02152   -0.43964
 51 O    -1.69092   -0.01274   -0.71681
 52 O     1.69098   -0.01275   -0.71678
 53 O     0.00022    0.02207   -1.38195
 54 O    -0.00005   -0.00328    1.77816
 55 Pt    0.00012   -0.02245    0.52805
 56 Pt    0.00011   -0.00174    0.70076
 57 O    -1.60960    0.00870    0.06833
 58 O     1.60956    0.00871    0.06812
 59 O     0.00017   -0.01271   -0.57968
 60 O    -0.00074   -0.21420   -0.11511
 61 Pt    0.00063   -0.07589   -0.18227
 62 Pt    0.00012    0.00338    0.01411
 63 O    -0.01053   -0.00168    0.00623
 64 O     0.01043   -0.00156    0.00562
 65 O    -0.00001   -0.02136    0.02511
 66 O    -0.00082   -0.00674   -0.00614
 67 Pt   -0.00131    0.00597    0.04303
 68 Pt    0.00070    0.14147    0.01849
 69 O    -0.03490   -0.01598    0.05255
 70 O     0.03398   -0.01957    0.05412
 71 O     0.00052   -0.00421   -0.03118
 72 N     0.05538   -0.01460   -0.00394
 73 N     0.02811   -0.07182    0.07219
 74 O    -0.00300    0.16799   -0.00564

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 NO  Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.233191    2.000774   25.444484    ( 0.0000,  0.0000,  0.0000)
  73 N      3.246586    1.807793   24.356830    ( 0.0000,  0.0000,  0.0000)
  74 O      3.254316    4.684636   22.994244    ( 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  22:24:08  -3.82   +inf  -418.581238    3      1      
iter:   2  22:27:54  -3.82  -3.07  -418.990221    3      1      
iter:   3  22:31:31  -4.05  -2.27  -418.569867    3      1      
iter:   4  22:35:16  -5.00  -3.82  -418.570467    3      1      
iter:   5  22:39:01  -5.33  -3.92  -418.569500    2      1      
iter:   6  22:42:39  -5.38  -4.31  -418.570474    3      1      
iter:   7  22:46:02  -6.25  -3.94  -418.569727    2      1      
iter:   8  22:49:28  -6.11  -4.78  -418.569759    2      1      
iter:   9  22:52:55  -6.65  -4.75  -418.569831    2      1      
iter:  10  22:56:24  -6.90  -4.44  -418.569814    2      1      
iter:  11  22:59:52  -7.06  -4.24  -418.569441    2      1      
iter:  12  23:03:20  -7.20  -4.44  -418.569745    2      1      
iter:  13  23:06:42  -7.19  -4.39  -418.569662    2      1      
iter:  14  23:10:10  -7.84  -4.99  -418.569623    2      1      

Converged after 14 iterations.

Dipole moment: (-55.905106, -33.255340, -0.263826) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.512164
Potential:     -135.235893
External:        +0.000000
XC:            -308.047140
Entropy (-ST):   -1.693235
Local:          +11.047864
--------------------------
Free energy:   -419.416240
Extrapolated:  -418.569623

Fermi level: -6.76070

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.81491    0.14051
  0   343     -6.81202    0.13902
  0   344     -6.75552    0.10823
  0   345     -6.75008    0.10522

  1   342     -6.76595    0.22806
  1   343     -6.69967    0.15645
  1   344     -6.67346    0.13101
  1   345     -6.63604    0.09924



Forces in eV/Ang:
  0 O    -0.00001   -0.01861    1.19155
  1 Pt   -0.00015   -0.00169   -0.41100
  2 Pt   -0.00002   -0.02000   -0.44070
  3 O    -1.68000    0.00032   -0.71746
  4 O     1.68002    0.00032   -0.71750
  5 O     0.00014   -0.06885   -1.36258
  6 O    -0.00004    0.00257    1.76893
  7 Pt   -0.00004    0.01832    0.46470
  8 Pt   -0.00006    0.15486    0.84514
  9 O    -1.58165    0.00315    0.07376
 10 O     1.58157    0.00328    0.07390
 11 O     0.00013    0.01330   -0.60762
 12 O    -0.00061   -0.01970    0.15187
 13 Pt   -0.00060    0.32064   -0.13454
 14 Pt    0.00080   -0.01786    0.01191
 15 O     0.01822   -0.00253    0.00891
 16 O    -0.01665   -0.00392    0.00708
 17 O     0.02242    0.16415   -0.89343
 18 O     0.00082   -0.00524    0.01524
 19 Pt    0.00052    0.03565    0.11110
 20 Pt   -0.00640   -0.54897    0.07991
 21 O    -0.31593    0.48241    0.30026
 22 O     0.31759    0.48129    0.29920
 23 O     0.00013   -0.01679   -0.07848
 24 O     0.00001   -0.00217    1.15770
 25 Pt   -0.00018    0.05898   -0.40420
 26 Pt    0.00000   -0.00133   -0.43344
 27 O    -1.69087    0.01240   -0.71588
 28 O     1.69090    0.01241   -0.71590
 29 O     0.00022    0.03938   -1.43901
 30 O    -0.00002   -0.00027    1.82399
 31 Pt   -0.00006    0.00670    0.53969
 32 Pt    0.00018   -0.12808    0.72960
 33 O    -1.60503   -0.01503    0.03941
 34 O     1.60493   -0.01515    0.03947
 35 O     0.00026   -0.01175   -0.67087
 36 O    -0.00085    0.24069   -0.12734
 37 Pt   -0.00009   -0.25972   -0.08474
 38 Pt   -0.00006    0.01029    0.00521
 39 O     0.02203   -0.00589   -0.00431
 40 O    -0.02100   -0.00440   -0.00599
 41 O    -0.00019    0.06589    0.09167
 42 O    -0.00152   -0.03379    0.01505
 43 Pt    0.00029    0.05395    0.00026
 44 Pt    0.00212   -0.33141   -0.03776
 45 O    -0.08389   -0.26897    0.19876
 46 O     0.08742   -0.26880    0.20120
 47 O     0.00052   -0.02359   -0.02134
 48 O     0.00003    0.01904    1.18661
 49 Pt   -0.00015   -0.05389   -0.40063
 50 Pt    0.00001    0.02152   -0.43941
 51 O    -1.69140   -0.01276   -0.71662
 52 O     1.69146   -0.01277   -0.71659
 53 O     0.00022    0.02209   -1.38162
 54 O    -0.00005   -0.00332    1.77650
 55 Pt    0.00012   -0.02238    0.52740
 56 Pt    0.00011   -0.00184    0.70036
 57 O    -1.60974    0.00872    0.06823
 58 O     1.60970    0.00872    0.06802
 59 O     0.00017   -0.01269   -0.57927
 60 O    -0.00074   -0.21445   -0.11430
 61 Pt    0.00063   -0.07564   -0.18297
 62 Pt    0.00012    0.00344    0.01379
 63 O    -0.01052   -0.00162    0.00605
 64 O     0.01043   -0.00149    0.00543
 65 O    -0.00002   -0.02138    0.02392
 66 O    -0.00081   -0.00709   -0.00566
 67 Pt   -0.00132    0.00619    0.04259
 68 Pt    0.00072    0.14153    0.01827
 69 O    -0.03360   -0.01489    0.05228
 70 O     0.03265   -0.01840    0.05381
 71 O     0.00052   -0.00418   -0.03166
 72 N     0.06105   -0.01670   -0.04476
 73 N     0.02876   -0.02318    0.11125
 74 O    -0.00316    0.16163   -0.00293

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                 NO  Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 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      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 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      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.232532    2.002500   25.456342    ( 0.0000,  0.0000,  0.0000)
  73 N      3.246964    1.804514   24.368931    ( 0.0000,  0.0000,  0.0000)
  74 O      3.254190    4.686569   22.994416    ( 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  23:42:53  -3.24   +inf  -418.636793    3      1      
iter:   2  23:46:22  -3.04  -2.68  -421.004597    3      1      
iter:   3  23:49:50  -3.27  -1.93  -418.592140    3      1      
iter:   4  23:53:11  -4.22  -2.90  -418.577624    3      1      
iter:   5  23:56:38  -4.79  -3.33  -418.571251    3      1      
iter:   6  00:00:06  -4.92  -3.64  -418.572471    3      1      
iter:   7  00:03:33  -5.56  -3.85  -418.571049    2      1      
iter:   8  00:06:56  -5.48  -4.21  -418.570971    3      1      
iter:   9  00:10:22  -5.83  -4.18  -418.571014    2      1      
iter:  10  00:13:50  -6.17  -3.99  -418.571124    2      1      
iter:  11  00:17:17  -6.26  -4.18  -418.570464    2      1      
iter:  12  00:20:46  -6.68  -4.44  -418.570854    2      1      
iter:  13  00:24:06  -6.50  -4.55  -418.570730    3      1      
iter:  14  00:27:34  -6.50  -4.44  -418.570391    2      1      
iter:  15  00:31:02  -6.72  -4.19  -418.570470    2      1      
iter:  16  00:34:29  -7.16  -4.71  -418.570646    2      1      
iter:  17  00:37:57  -7.25  -4.94  -418.570500    2      1      
iter:  18  00:41:18  -7.53  -4.88  -418.570558    2      1      

Converged after 18 iterations.

Dipole moment: (-55.905037, -33.253758, -0.265547) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.398361
Potential:     -135.147591
External:        +0.000000
XC:            -308.020358
Entropy (-ST):   -1.693251
Local:          +11.045655
--------------------------
Free energy:   -419.417184
Extrapolated:  -418.570558

Fermi level: -6.76227

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.81641    0.14048
  0   343     -6.81353    0.13898
  0   344     -6.75725    0.10832
  0   345     -6.75162    0.10520

  1   342     -6.76747    0.22800
  1   343     -6.70120    0.15640
  1   344     -6.67497    0.13095
  1   345     -6.63764    0.09926


