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

User:   hao@node495.cluster
Date:   Sun Dec 19 22:43:02 2021
Arch:   x86_64
Pid:    7788
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: 106.37 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

                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O    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      3.229867    2.027318   26.176901    ( 0.0000,  0.0000,  0.0000)
  73 N      3.241599    2.788213   25.274220    ( 0.0000,  0.0000,  0.0000)
  74 O      3.306924    3.632609   24.183628    ( 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  22:49:02  +0.87   +inf  -539.620924    3      1      
iter:   2  22:53:40  -0.13  -1.04  -497.878265    35     1      
iter:   3  22:58:19  +0.14  -1.11  -600.218419    32     1      
iter:   4  23:02:56  -0.34  -1.02  -423.480282    38     1      
iter:   5  23:07:35  -0.72  -1.44  -424.572134    36     1      
iter:   6  23:12:11  -1.55  -1.44  -423.188078    3      1      
iter:   7  23:16:49  -1.88  -1.46  -420.771777    3      1      
iter:   8  23:21:26  -1.84  -1.50  -421.411424    3      1      
iter:   9  23:26:03  -1.62  -1.54  -434.226556    35     1      
iter:  10  23:30:40  -1.64  -1.49  -419.695719    4      1      
iter:  11  23:35:18  -2.31  -1.69  -419.156386    4      1      
iter:  12  23:39:55  -2.16  -1.72  -420.165488    4      1      
iter:  13  23:44:31  -2.05  -1.69  -419.269669    37     1      
iter:  14  23:49:08  -2.15  -1.84  -418.994293    4      1      
iter:  15  23:53:45  -2.67  -1.82  -418.105327    4      1      
iter:  16  23:58:22  -2.33  -1.95  -418.081211    37     1      
iter:  17  00:02:59  -2.51  -2.17  -417.721809    4      1      
iter:  18  00:07:36  -2.85  -2.46  -417.718450    3      1      
iter:  19  00:12:14  -2.84  -2.47  -417.714289    4      1      
iter:  20  00:16:51  -3.19  -2.57  -417.726190    3      1      
iter:  21  00:21:29  -3.41  -2.54  -417.679023    3      1      
iter:  22  00:26:06  -3.59  -2.72  -417.677095    3      1      
iter:  23  00:30:43  -3.79  -2.81  -417.666672    3      1      
iter:  24  00:35:20  -3.95  -2.90  -417.665742    3      1      
iter:  25  00:39:58  -3.99  -3.03  -417.660250    3      1      
iter:  26  00:44:36  -4.37  -3.32  -417.660116    3      1      
iter:  27  00:49:15  -4.53  -3.37  -417.659876    3      1      
iter:  28  00:53:53  -4.96  -3.35  -417.659683    2      1      
iter:  29  00:58:31  -5.05  -3.55  -417.659872    3      1      
iter:  30  01:03:10  -5.17  -3.60  -417.660532    2      1      
iter:  31  01:07:49  -5.57  -3.79  -417.659615    3      1      
iter:  32  01:12:26  -5.61  -3.88  -417.659892    2      1      
iter:  33  01:17:05  -5.76  -4.08  -417.659766    1      1      
iter:  34  01:21:42  -6.39  -4.08  -417.659889    2      1      
iter:  35  01:26:19  -6.43  -4.04  -417.659722    2      1      
iter:  36  01:30:56  -6.86  -4.29  -417.659652    2      1      
iter:  37  01:35:32  -6.81  -4.39  -417.659941    2      1      
iter:  38  01:40:10  -7.03  -4.37  -417.659684    2      1      
iter:  39  01:44:47  -6.94  -4.45  -417.659773    2      1      
iter:  40  01:49:24  -6.82  -4.54  -417.659751    2      1      
iter:  41  01:54:01  -7.41  -4.61  -417.659767    2      1      

Converged after 41 iterations.

Dipole moment: (-55.909683, -33.277617, 0.265715) |e|*Ang

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

Kinetic:         +7.770771
Potential:     -128.690404
External:        +0.000000
XC:            -306.931678
Entropy (-ST):   -1.629709
Local:          +11.006399
--------------------------
Free energy:   -418.474621
Extrapolated:  -417.659767

Fermi level: -6.31500

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.37995    0.14598
  0   343     -6.37757    0.14478
  0   344     -6.36709    0.13941
  0   345     -6.36577    0.13873

  1   342     -6.29019    0.19479
  1   343     -6.28800    0.19240
  1   344     -6.23646    0.13918
  1   345     -6.19922    0.10626



Forces in eV/Ang:
  0 O    -0.00001   -0.01815    1.17685
  1 Pt   -0.00012   -0.00191   -0.38694
  2 Pt   -0.00003   -0.01912   -0.44307
  3 O    -1.68264    0.00036   -0.71825
  4 O     1.68266    0.00036   -0.71828
  5 O     0.00010   -0.04183   -1.39808
  6 O    -0.00003    0.00134    1.77512
  7 Pt   -0.00003    0.01682    0.46907
  8 Pt   -0.00013    0.05902    0.96033
  9 O    -1.58337    0.00414    0.05742
 10 O     1.58325    0.00428    0.05749
 11 O     0.00014    0.01553   -0.61856
 12 O    -0.00053   -0.32852   -0.12662
 13 Pt   -0.00085    0.40458   -0.28935
 14 Pt    0.00072   -0.02143    0.01666
 15 O     0.00383    0.00051    0.01436
 16 O    -0.00222   -0.00090    0.01247
 17 O     0.02239    0.17814   -1.11290
 18 O     0.00062   -0.00906    0.02890
 19 Pt    0.00066    0.02004    0.04669
 20 Pt   -0.00625   -0.50167    0.10193
 21 O    -0.33772    0.54283    0.37064
 22 O     0.33965    0.54208    0.36955
 23 O     0.00165    0.00695    0.00250
 24 O     0.00002   -0.00091    1.15189
 25 Pt   -0.00015    0.02737   -0.38832
 26 Pt    0.00001   -0.00110   -0.43572
 27 O    -1.69095    0.01327   -0.71779
 28 O     1.69098    0.01328   -0.71784
 29 O     0.00013    0.03641   -1.40011
 30 O    -0.00004   -0.00091    1.82622
 31 Pt   -0.00003    0.01094    0.53859
 32 Pt    0.00019   -0.12110    0.67458
 33 O    -1.60240   -0.01985    0.04521
 34 O     1.60226   -0.01999    0.04524
 35 O     0.00023   -0.01340   -0.69014
 36 O    -0.00075    0.25795    0.05876
 37 Pt    0.00017   -0.17925   -0.06592
 38 Pt    0.00003    0.01479    0.04388
 39 O     0.05201    0.00248   -0.00410
 40 O    -0.05089    0.00395   -0.00582
 41 O     0.00038   -0.19722   -0.50091
 42 O    -0.00147   -0.03843    0.04788
 43 Pt    0.00106   -0.12328   -0.20631
 44 Pt   -0.00264    0.06540   -0.92761
 45 O    -0.08194   -0.14437    0.65179
 46 O     0.08326   -0.14734    0.65130
 47 O    -0.00013    0.03317    0.09319
 48 O     0.00002    0.01910    1.17248
 49 Pt   -0.00009   -0.02530   -0.38759
 50 Pt    0.00001    0.02052   -0.44277
 51 O    -1.69114   -0.01367   -0.71870
 52 O     1.69119   -0.01368   -0.71870
 53 O     0.00014    0.00566   -1.41456
 54 O    -0.00004   -0.00208    1.78466
 55 Pt    0.00014   -0.02460    0.52649
 56 Pt    0.00003    0.06494    0.80479
 57 O    -1.61070    0.01369    0.07171
 58 O     1.61065    0.01366    0.07142
 59 O     0.00019   -0.01215   -0.59459
 60 O    -0.00026    0.02546   -0.32790
 61 Pt    0.00084   -0.12602   -0.24683
 62 Pt    0.00013   -0.00481    0.00596
 63 O     0.01973   -0.00981    0.01150
 64 O    -0.01978   -0.00965    0.01085
 65 O    -0.00018   -0.02233   -0.03001
 66 O    -0.00096    0.00137    0.00598
 67 Pt    0.00011    0.08910   -0.10093
 68 Pt    0.00092   -0.00867   -0.10982
 69 O    -0.05101   -0.14632    0.62950
 70 O     0.04655   -0.14477    0.62908
 71 O     0.00045   -0.02287    0.01435
 72 N    -0.03785    3.22515   -3.62632
 73 N     0.38904    0.88123   -1.69378
 74 O    -0.38549   -4.12376    5.41622

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O    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      3.230057    2.052261   26.182198    ( 0.0000,  0.0000,  0.0000)
  73 N      3.239078    2.779646   25.286313    ( 0.0000,  0.0000,  0.0000)
  74 O      3.305765    3.609939   24.189027    ( 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  02:05:10  -2.35   +inf  -419.558963    37     1      
iter:   2  02:09:48  -1.70  -2.01  -447.380655    37     1      
iter:   3  02:14:25  -2.10  -1.43  -418.276527    36     1      
iter:   4  02:19:02  -2.65  -2.25  -418.031643    4      1      
iter:   5  02:23:40  -3.33  -2.50  -417.858285    4      1      
iter:   6  02:28:17  -3.70  -2.88  -417.833994    3      1      
iter:   7  02:32:53  -3.59  -2.96  -417.807861    3      1      
iter:   8  02:37:30  -3.91  -3.25  -417.807878    3      1      
iter:   9  02:42:07  -4.07  -3.04  -417.792441    3      1      
iter:  10  02:46:44  -4.35  -3.51  -417.791773    3      1      
iter:  11  02:51:20  -4.54  -3.41  -417.786117    3      1      
iter:  12  02:55:57  -4.57  -3.52  -417.786657    3      1      
iter:  13  03:00:34  -4.97  -3.63  -417.784492    3      1      
iter:  14  03:05:11  -5.12  -3.58  -417.783788    3      1      
iter:  15  03:09:47  -5.45  -3.82  -417.783872    3      1      
iter:  16  03:14:24  -5.71  -3.86  -417.783220    3      1      
iter:  17  03:19:01  -5.92  -3.88  -417.783419    3      1      
iter:  18  03:23:38  -5.92  -4.22  -417.782914    3      1      
iter:  19  03:28:15  -6.02  -4.23  -417.783444    3      1      
iter:  20  03:32:51  -6.14  -4.33  -417.783001    3      1      
iter:  21  03:37:28  -6.42  -4.43  -417.783030    2      1      
iter:  22  03:42:05  -6.97  -4.51  -417.783211    2      1      
iter:  23  03:46:42  -7.03  -4.37  -417.783089    2      1      
iter:  24  03:51:19  -7.10  -4.70  -417.783099    2      1      
iter:  25  03:55:57  -7.35  -4.84  -417.783038    2      1      
iter:  26  04:00:35  -7.67  -4.74  -417.783193    2      1      

Converged after 26 iterations.

Dipole moment: (-55.910594, -33.283847, 0.280817) |e|*Ang

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

Kinetic:        +10.856041
Potential:     -131.057087
External:        +0.000000
XC:            -307.760747
Entropy (-ST):   -1.629509
Local:          +10.993355
--------------------------
Free energy:   -418.597947
Extrapolated:  -417.783193

Fermi level: -6.30161

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.36642    0.14591
  0   343     -6.36405    0.14471
  0   344     -6.35407    0.13961
  0   345     -6.35253    0.13880

  1   342     -6.27687    0.19487
  1   343     -6.27433    0.19210
  1   344     -6.22332    0.13942
  1   345     -6.18578    0.10621



Forces in eV/Ang:
  0 O    -0.00001   -0.01816    1.17588
  1 Pt   -0.00012   -0.00188   -0.38731
  2 Pt   -0.00003   -0.01910   -0.44247
  3 O    -1.68267    0.00037   -0.71889
  4 O     1.68269    0.00037   -0.71892
  5 O     0.00010   -0.04188   -1.39911
  6 O    -0.00003    0.00129    1.77978
  7 Pt   -0.00003    0.01682    0.47018
  8 Pt   -0.00013    0.05907    0.96108
  9 O    -1.58302    0.00415    0.05757
 10 O     1.58290    0.00429    0.05765
 11 O     0.00014    0.01555   -0.61832
 12 O    -0.00052   -0.32816   -0.12651
 13 Pt   -0.00087    0.40319   -0.28656
 14 Pt    0.00072   -0.02122    0.01888
 15 O     0.00377    0.00050    0.01487
 16 O    -0.00216   -0.00091    0.01298
 17 O     0.02230    0.17711   -1.10235
 18 O     0.00061   -0.00873    0.02829
 19 Pt    0.00062    0.02055    0.04683
 20 Pt   -0.00625   -0.49801    0.09416
 21 O    -0.33844    0.54305    0.37200
 22 O     0.34036    0.54229    0.37093
 23 O     0.00173    0.00622    0.00433
 24 O     0.00002   -0.00092    1.15092
 25 Pt   -0.00015    0.02733   -0.38875
 26 Pt    0.00001   -0.00112   -0.43507
 27 O    -1.69099    0.01327   -0.71844
 28 O     1.69102    0.01328   -0.71848
 29 O     0.00013    0.03647   -1.40107
 30 O    -0.00004   -0.00094    1.83103
 31 Pt   -0.00003    0.01096    0.53972
 32 Pt    0.00019   -0.12124    0.67527
 33 O    -1.60208   -0.01984    0.04540
 34 O     1.60194   -0.01998    0.04543
 35 O     0.00023   -0.01343   -0.68986
 36 O    -0.00074    0.25765    0.05908
 37 Pt    0.00014   -0.17870   -0.06264
 38 Pt    0.00004    0.01461    0.04590
 39 O     0.05170    0.00251   -0.00291
 40 O    -0.05057    0.00396   -0.00463
 41 O     0.00037   -0.19736   -0.48961
 42 O    -0.00148   -0.03886    0.04775
 43 Pt    0.00116   -0.12275   -0.20597
 44 Pt   -0.00275    0.06756   -0.93672
 45 O    -0.08378   -0.14353    0.65012
 46 O     0.08509   -0.14656    0.64927
 47 O    -0.00027    0.03348    0.09333
 48 O     0.00002    0.01911    1.17151
 49 Pt   -0.00009   -0.02529   -0.38800
 50 Pt    0.00001    0.02052   -0.44214
 51 O    -1.69117   -0.01368   -0.71936
 52 O     1.69122   -0.01369   -0.71936
 53 O     0.00014    0.00568   -1.41549
 54 O    -0.00004   -0.00200    1.78944
 55 Pt    0.00014   -0.02463    0.52767
 56 Pt    0.00003    0.06499    0.80536
 57 O    -1.61036    0.01368    0.07192
 58 O     1.61031    0.01365    0.07164
 59 O     0.00019   -0.01214   -0.59434
 60 O    -0.00026    0.02545   -0.32708
 61 Pt    0.00084   -0.12503   -0.24361
 62 Pt    0.00013   -0.00482    0.00794
 63 O     0.01954   -0.00983    0.01212
 64 O    -0.01958   -0.00966    0.01146
 65 O    -0.00019   -0.02221   -0.02254
 66 O    -0.00096    0.00157    0.00604
 67 Pt    0.00009    0.08780   -0.10009
 68 Pt    0.00096   -0.00960   -0.11153
 69 O    -0.05200   -0.14697    0.63017
 70 O     0.04755   -0.14536    0.62965
 71 O     0.00045   -0.02268    0.01637
 72 N    -0.05296    1.62439   -1.87773
 73 N     0.44756    2.27641   -3.38352
 74 O    -0.35677   -3.97155    5.35516

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O    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      3.230274    2.075556   26.202258    ( 0.0000,  0.0000,  0.0000)
  73 N      3.235899    2.778598   25.290452    ( 0.0000,  0.0000,  0.0000)
  74 O      3.304272    3.578536   24.196620    ( 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  -2.41   +inf  -418.244897    4      1      
iter:   2  04:21:59  -2.45  -2.38  -423.930188    4      1      
iter:   3  04:26:36  -2.82  -1.77  -418.021319    4      1      
iter:   4  04:31:13  -3.31  -2.58  -417.977471    4      1      
iter:   5  04:35:50  -3.83  -2.91  -417.945539    3      1      
iter:   6  04:40:26  -3.86  -3.17  -417.932390    3      1      
iter:   7  04:45:04  -4.16  -3.45  -417.933701    3      1      
iter:   8  04:49:41  -4.30  -3.30  -417.940611    3      1      
iter:   9  04:54:18  -4.52  -3.07  -417.929652    3      1      
iter:  10  04:58:55  -4.72  -3.50  -417.931289    3      1      
iter:  11  05:03:32  -4.79  -3.47  -417.926720    3      1      
iter:  12  05:08:09  -4.88  -3.89  -417.927159    3      1      
iter:  13  05:12:46  -5.30  -3.91  -417.926702    3      1      
iter:  14  05:17:22  -5.62  -4.08  -417.926841    3      1      
iter:  15  05:22:00  -5.82  -3.85  -417.926630    3      1      
iter:  16  05:26:39  -5.79  -3.86  -417.926237    3      1      
iter:  17  05:31:16  -6.13  -4.34  -417.926855    3      1      
iter:  18  05:35:54  -6.54  -4.18  -417.926214    3      1      
iter:  19  05:40:31  -6.84  -4.57  -417.926341    3      1      
iter:  20  05:45:10  -7.16  -4.63  -417.926335    2      1      
iter:  21  05:49:49  -7.32  -4.57  -417.926372    2      1      
iter:  22  05:54:25  -7.54  -4.78  -417.926391    2      1      

Converged after 22 iterations.

Dipole moment: (-55.910756, -33.270804, 0.265691) |e|*Ang

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

Kinetic:        +11.987065
Potential:     -131.944786
External:        +0.000000
XC:            -308.149440
Entropy (-ST):   -1.629573
Local:          +10.995556
--------------------------
Free energy:   -418.741178
Extrapolated:  -417.926391

Fermi level: -6.31456

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.37956    0.14600
  0   343     -6.37709    0.14476
  0   344     -6.36670    0.13944
  0   345     -6.36536    0.13874

  1   342     -6.28981    0.19487
  1   343     -6.28730    0.19212
  1   344     -6.23607    0.13922
  1   345     -6.19870    0.10619



Forces in eV/Ang:
  0 O    -0.00001   -0.01817    1.17647
  1 Pt   -0.00013   -0.00190   -0.38757
  2 Pt   -0.00003   -0.01909   -0.44230
  3 O    -1.68369    0.00036   -0.71891
  4 O     1.68371    0.00036   -0.71895
  5 O     0.00010   -0.04187   -1.39857
  6 O    -0.00003    0.00134    1.77645
  7 Pt   -0.00003    0.01681    0.46906
  8 Pt   -0.00012    0.05908    0.96044
  9 O    -1.58348    0.00414    0.05745
 10 O     1.58337    0.00427    0.05752
 11 O     0.00014    0.01556   -0.61898
 12 O    -0.00052   -0.32831   -0.12687
 13 Pt   -0.00085    0.40300   -0.28917
 14 Pt    0.00072   -0.02136    0.01680
 15 O     0.00362    0.00050    0.01454
 16 O    -0.00201   -0.00090    0.01265
 17 O     0.02237    0.17739   -1.10939
 18 O     0.00060   -0.00898    0.02891
 19 Pt    0.00060    0.02059    0.04705
 20 Pt   -0.00638   -0.50226    0.09104
 21 O    -0.33763    0.54295    0.37361
 22 O     0.33956    0.54220    0.37256
 23 O     0.00176    0.00663    0.00375
 24 O     0.00002   -0.00091    1.15152
 25 Pt   -0.00015    0.02732   -0.38900
 26 Pt    0.00001   -0.00111   -0.43493
 27 O    -1.69201    0.01329   -0.71845
 28 O     1.69204    0.01330   -0.71850
 29 O     0.00013    0.03648   -1.40048
 30 O    -0.00004   -0.00093    1.82757
 31 Pt   -0.00003    0.01098    0.53861
 32 Pt    0.00019   -0.12126    0.67457
 33 O    -1.60253   -0.01983    0.04530
 34 O     1.60239   -0.01997    0.04533
 35 O     0.00023   -0.01342   -0.69051
 36 O    -0.00074    0.25747    0.05892
 37 Pt    0.00011   -0.17905   -0.06616
 38 Pt    0.00004    0.01478    0.04390
 39 O     0.05173    0.00253   -0.00372
 40 O    -0.05060    0.00399   -0.00543
 41 O     0.00039   -0.19809   -0.49906
 42 O    -0.00150   -0.03862    0.04817
 43 Pt    0.00133   -0.12425   -0.20740
 44 Pt   -0.00265    0.07232   -0.94287
 45 O    -0.08322   -0.14350    0.65516
 46 O     0.08447   -0.14652    0.65409
 47 O    -0.00019    0.03318    0.09545
 48 O     0.00002    0.01911    1.17212
 49 Pt   -0.00009   -0.02528   -0.38825
 50 Pt    0.00001    0.02051   -0.44198
 51 O    -1.69220   -0.01369   -0.71937
 52 O     1.69224   -0.01370   -0.71937
 53 O     0.00015    0.00567   -1.41497
 54 O    -0.00004   -0.00205    1.78602
 55 Pt    0.00014   -0.02464    0.52653
 56 Pt    0.00004    0.06496    0.80464
 57 O    -1.61084    0.01368    0.07180
 58 O     1.61078    0.01366    0.07152
 59 O     0.00019   -0.01216   -0.59503
 60 O    -0.00026    0.02556   -0.32741
 61 Pt    0.00080   -0.12421   -0.24664
 62 Pt    0.00013   -0.00490    0.00612
 63 O     0.01942   -0.00985    0.01174
 64 O    -0.01946   -0.00969    0.01109
 65 O    -0.00019   -0.02229   -0.02946
 66 O    -0.00096    0.00144    0.00674
 67 Pt    0.00009    0.08921   -0.10133
 68 Pt    0.00098   -0.00879   -0.11037
 69 O    -0.05114   -0.14690    0.63261
 70 O     0.04663   -0.14525    0.63217
 71 O     0.00045   -0.02289    0.01654
 72 N    -0.07103    1.37873   -1.67865
 73 N     0.49047    2.29545   -3.43555
 74 O    -0.37086   -3.71765    5.16778

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O    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                    
               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      3.230237    2.097600   26.235636    ( 0.0000,  0.0000,  0.0000)
  73 N      3.232715    2.783698   25.287305    ( 0.0000,  0.0000,  0.0000)
  74 O      3.302059    3.540032   24.206013    ( 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  06:32:27  -2.14   +inf  -418.368442    3      1      
iter:   2  06:37:04  -2.55  -2.46  -421.893816    3      1      
iter:   3  06:41:41  -2.92  -1.84  -418.169041    3      1      
iter:   4  06:46:18  -3.08  -2.87  -418.175011    4      1      
iter:   5  06:50:56  -3.32  -2.72  -418.099028    3      1      
iter:   6  06:55:34  -3.96  -2.96  -418.097398    3      1      
iter:   7  07:00:12  -4.64  -3.37  -418.093014    3      1      
iter:   8  07:04:50  -4.06  -3.45  -418.087545    2      1      
iter:   9  07:09:28  -4.02  -3.57  -418.087678    3      1      
iter:  10  07:14:06  -4.55  -3.49  -418.088028    3      1      
iter:  11  07:18:43  -4.72  -3.35  -418.086458    3      1      
iter:  12  07:23:20  -5.41  -4.17  -418.085935    2      1      
iter:  13  07:27:57  -5.84  -4.18  -418.086473    3      1      
iter:  14  07:32:34  -6.19  -4.18  -418.086138    2      1      
iter:  15  07:37:11  -6.35  -4.35  -418.086259    3      1      
iter:  16  07:41:49  -6.24  -4.36  -418.086300    2      1      
iter:  17  07:46:25  -6.67  -4.55  -418.086155    2      1      
iter:  18  07:51:03  -6.92  -4.37  -418.086282    2      1      
iter:  19  07:55:40  -7.04  -4.67  -418.086122    2      1      
iter:  20  08:00:16  -7.38  -4.83  -418.086244    2      1      
iter:  21  08:04:52  -7.29  -4.69  -418.086170    2      1      
iter:  22  08:09:29  -7.52  -5.11  -418.086180    2      1      

Converged after 22 iterations.

Dipole moment: (-55.909728, -33.239977, 0.218963) |e|*Ang

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

Kinetic:        +11.221308
Potential:     -131.322164
External:        +0.000000
XC:            -308.166991
Entropy (-ST):   -1.629625
Local:          +10.996479
--------------------------
Free energy:   -418.900992
Extrapolated:  -418.086180

Fermi level: -6.35375

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.41866    0.14596
  0   343     -6.41628    0.14476
  0   344     -6.40597    0.13948
  0   345     -6.40459    0.13876

  1   342     -6.32910    0.19497
  1   343     -6.32632    0.19194
  1   344     -6.27528    0.13924
  1   345     -6.23789    0.10619



Forces in eV/Ang:
  0 O    -0.00001   -0.01814    1.17744
  1 Pt   -0.00013   -0.00191   -0.38738
  2 Pt   -0.00003   -0.01909   -0.44140
  3 O    -1.68277    0.00035   -0.71830
  4 O     1.68279    0.00035   -0.71834
  5 O     0.00010   -0.04179   -1.39863
  6 O    -0.00003    0.00143    1.77887
  7 Pt   -0.00003    0.01684    0.47029
  8 Pt   -0.00012    0.05912    0.96125
  9 O    -1.58363    0.00413    0.05770
 10 O     1.58352    0.00426    0.05777
 11 O     0.00014    0.01555   -0.61886
 12 O    -0.00052   -0.32831   -0.12683
 13 Pt   -0.00082    0.40412   -0.28850
 14 Pt    0.00073   -0.02133    0.01742
 15 O     0.00350    0.00058    0.01459
 16 O    -0.00189   -0.00083    0.01270
 17 O     0.02233    0.17863   -1.10901
 18 O     0.00061   -0.00914    0.02884
 19 Pt    0.00057    0.01949    0.04610
 20 Pt   -0.00642   -0.50946    0.09725
 21 O    -0.33819    0.54319    0.37029
 22 O     0.34014    0.54242    0.36919
 23 O     0.00158    0.00872    0.00342
 24 O     0.00002   -0.00091    1.15250
 25 Pt   -0.00015    0.02727   -0.38875
 26 Pt    0.00001   -0.00111   -0.43406
 27 O    -1.69107    0.01328   -0.71782
 28 O     1.69110    0.01329   -0.71787
 29 O     0.00013    0.03641   -1.40039
 30 O    -0.00004   -0.00098    1.82992
 31 Pt   -0.00003    0.01092    0.53975
 32 Pt    0.00019   -0.12120    0.67524
 33 O    -1.60269   -0.01988    0.04552
 34 O     1.60255   -0.02001    0.04556
 35 O     0.00024   -0.01346   -0.69038
 36 O    -0.00074    0.25761    0.05923
 37 Pt    0.00006   -0.17993   -0.06457
 38 Pt    0.00003    0.01464    0.04453
 39 O     0.05150    0.00250   -0.00339
 40 O    -0.05036    0.00397   -0.00510
 41 O     0.00040   -0.19877   -0.49493
 42 O    -0.00153   -0.03848    0.04782
 43 Pt    0.00129   -0.12709   -0.21183
 44 Pt   -0.00221    0.07724   -0.94119
 45 O    -0.08371   -0.14345    0.65659
 46 O     0.08494   -0.14647    0.65513
 47 O    -0.00009    0.03200    0.10051
 48 O     0.00002    0.01911    1.17307
 49 Pt   -0.00009   -0.02522   -0.38805
 50 Pt    0.00001    0.02050   -0.44112
 51 O    -1.69128   -0.01367   -0.71875
 52 O     1.69133   -0.01368   -0.71875
 53 O     0.00014    0.00566   -1.41501
 54 O    -0.00004   -0.00209    1.78834
 55 Pt    0.00014   -0.02460    0.52768
 56 Pt    0.00004    0.06483    0.80562
 57 O    -1.61102    0.01372    0.07204
 58 O     1.61097    0.01370    0.07176
 59 O     0.00019   -0.01211   -0.59488
 60 O    -0.00025    0.02505   -0.32716
 61 Pt    0.00073   -0.12417   -0.24605
 62 Pt    0.00013   -0.00486    0.00642
 63 O     0.01946   -0.00986    0.01176
 64 O    -0.01950   -0.00971    0.01111
 65 O    -0.00021   -0.02252   -0.02779
 66 O    -0.00096    0.00130    0.00671
 67 Pt    0.00003    0.09312   -0.10461
 68 Pt    0.00099   -0.00685   -0.11208
 69 O    -0.05138   -0.14730    0.63138
 70 O     0.04681   -0.14555    0.63093
 71 O     0.00044   -0.02377    0.01400
 72 N    -0.09942    2.24638   -3.03067
 73 N     0.52403    1.03079   -1.70282
 74 O    -0.40864   -3.30805    4.78103

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   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      3.229985    2.124525   26.263290    ( 0.0000,  0.0000,  0.0000)
  73 N      3.229872    2.784014   25.290731    ( 0.0000,  0.0000,  0.0000)
  74 O      3.299375    3.501258   24.215464    ( 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  08:19:39  -2.18   +inf  -418.707516    4      1      
iter:   2  08:24:16  -2.26  -2.28  -426.940085    35     1      
iter:   3  08:28:53  -2.65  -1.71  -418.363644    4      1      
iter:   4  08:33:30  -3.18  -2.49  -418.286910    4      1      
iter:   5  08:38:08  -3.58  -2.83  -418.240619    3      1      
iter:   6  08:42:46  -3.71  -3.02  -418.223006    3      1      
iter:   7  08:47:24  -4.16  -3.42  -418.221908    3      1      
iter:   8  08:52:01  -4.33  -3.60  -418.220926    3      1      
iter:   9  08:56:38  -4.63  -3.38  -418.222583    2      1      
iter:  10  09:01:16  -4.53  -3.34  -418.220177    3      1      
iter:  11  09:05:55  -4.42  -3.45  -418.215480    3      1      
iter:  12  09:10:34  -4.70  -3.62  -418.216842    3      1      
iter:  13  09:15:11  -5.45  -3.95  -418.216627    2      1      
iter:  14  09:19:49  -5.57  -4.04  -418.216504    2      1      
iter:  15  09:24:25  -5.59  -4.16  -418.216192    3      1      
iter:  16  09:29:02  -6.18  -4.38  -418.216367    2      1      
iter:  17  09:33:39  -6.46  -4.10  -418.216523    2      1      
iter:  18  09:38:15  -6.68  -4.26  -418.216032    3      1      
iter:  19  09:42:51  -6.78  -4.49  -418.216193    2      1      
iter:  20  09:47:28  -7.04  -4.80  -418.216199    2      1      
iter:  21  09:52:04  -7.34  -4.87  -418.216245    2      1      
iter:  22  09:56:40  -7.57  -4.97  -418.216228    2      1      

Converged after 22 iterations.

Dipole moment: (-55.909292, -33.218825, 0.184916) |e|*Ang

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

Kinetic:        +12.124046
Potential:     -132.010368
External:        +0.000000
XC:            -308.515305
Entropy (-ST):   -1.629541
Local:          +11.000170
--------------------------
Free energy:   -419.030998
Extrapolated:  -418.216228

Fermi level: -6.38274

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.44791    0.14609
  0   343     -6.44536    0.14480
  0   344     -6.43452    0.13925
  0   345     -6.43339    0.13866

  1   342     -6.35788    0.19474
  1   343     -6.35543    0.19206
  1   344     -6.30402    0.13901
  1   345     -6.26681    0.10612



Forces in eV/Ang:
  0 O    -0.00001   -0.01817    1.17784
  1 Pt   -0.00013   -0.00190   -0.38864
  2 Pt   -0.00003   -0.01915   -0.44151
  3 O    -1.68459    0.00036   -0.71810
  4 O     1.68461    0.00036   -0.71813
  5 O     0.00010   -0.04185   -1.39797
  6 O    -0.00003    0.00133    1.77221
  7 Pt   -0.00003    0.01679    0.46768
  8 Pt   -0.00011    0.05893    0.95951
  9 O    -1.58368    0.00415    0.05718
 10 O     1.58356    0.00428    0.05725
 11 O     0.00014    0.01541   -0.61967
 12 O    -0.00053   -0.32880   -0.12723
 13 Pt   -0.00079    0.40427   -0.29070
 14 Pt    0.00072   -0.02142    0.01581
 15 O     0.00381    0.00053    0.01441
 16 O    -0.00221   -0.00088    0.01252
 17 O     0.02240    0.17951   -1.11634
 18 O     0.00062   -0.00885    0.02900
 19 Pt    0.00056    0.01919    0.04809
 20 Pt   -0.00658   -0.51588    0.09348
 21 O    -0.33753    0.54329    0.37080
 22 O     0.33949    0.54254    0.36974
 23 O     0.00159    0.01001    0.00556
 24 O     0.00002   -0.00090    1.15289
 25 Pt   -0.00015    0.02724   -0.39006
 26 Pt    0.00001   -0.00112   -0.43421
 27 O    -1.69286    0.01326   -0.71766
 28 O     1.69289    0.01327   -0.71770
 29 O     0.00013    0.03640   -1.39975
 30 O    -0.00004   -0.00100    1.82353
 31 Pt   -0.00003    0.01091    0.53717
 32 Pt    0.00019   -0.12120    0.67351
 33 O    -1.60272   -0.01989    0.04504
 34 O     1.60257   -0.02003    0.04508
 35 O     0.00023   -0.01343   -0.69114
 36 O    -0.00075    0.25745    0.05885
 37 Pt    0.00004   -0.18007   -0.06752
 38 Pt    0.00004    0.01483    0.04297
 39 O     0.05206    0.00250   -0.00403
 40 O    -0.05092    0.00398   -0.00573
 41 O     0.00042   -0.19997   -0.50707
 42 O    -0.00151   -0.03862    0.04776
 43 Pt    0.00140   -0.12924   -0.21307
 44 Pt   -0.00192    0.08265   -0.94739
 45 O    -0.08314   -0.14333    0.66114
 46 O     0.08427   -0.14630    0.65951
 47 O     0.00007    0.03097    0.10529
 48 O     0.00002    0.01913    1.17348
 49 Pt   -0.00009   -0.02521   -0.38938
 50 Pt    0.00001    0.02057   -0.44122
 51 O    -1.69306   -0.01366   -0.71858
 52 O     1.69311   -0.01367   -0.71858
 53 O     0.00015    0.00573   -1.41444
 54 O    -0.00004   -0.00197    1.78185
 55 Pt    0.00014   -0.02454    0.52516
 56 Pt    0.00004    0.06499    0.80393
 57 O    -1.61103    0.01371    0.07153
 58 O     1.61097    0.01369    0.07125
 59 O     0.00019   -0.01198   -0.59563
 60 O    -0.00026    0.02559   -0.32776
 61 Pt    0.00068   -0.12400   -0.24861
 62 Pt    0.00014   -0.00500    0.00476
 63 O     0.01955   -0.00979    0.01157
 64 O    -0.01958   -0.00965    0.01092
 65 O    -0.00021   -0.02250   -0.03378
 66 O    -0.00095    0.00102    0.00729
 67 Pt    0.00003    0.09551   -0.10517
 68 Pt    0.00100   -0.00569   -0.11224
 69 O    -0.05075   -0.14750    0.63188
 70 O     0.04608   -0.14574    0.63152
 71 O     0.00045   -0.02405    0.01515
 72 N    -0.09171    2.26213   -3.36337
 73 N     0.52062    0.51140   -0.87298
 74 O    -0.34697   -2.80850    4.24299

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   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      3.229651    2.155402   26.284920    ( 0.0000,  0.0000,  0.0000)
  73 N      3.227514    2.780056   25.301166    ( 0.0000,  0.0000,  0.0000)
  74 O      3.296620    3.462465   24.224818    ( 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  10:06:51  -2.13   +inf  -420.122017    35     1      
iter:   2  10:11:30  -1.67  -2.00  -450.367097    36     1      
iter:   3  10:16:07  -2.12  -1.41  -418.829161    37     1      
iter:   4  10:20:44  -2.65  -2.27  -418.475920    4      1      
iter:   5  10:25:24  -3.35  -2.66  -418.386942    3      1      
iter:   6  10:30:01  -3.64  -2.94  -418.393634    3      1      
iter:   7  10:34:40  -3.60  -2.79  -418.352677    3      1      
iter:   8  10:39:18  -4.22  -3.35  -418.353845    3      1      
iter:   9  10:43:56  -4.20  -3.27  -418.345786    3      1      
iter:  10  10:48:34  -4.11  -3.43  -418.344215    3      1      
iter:  11  10:53:09  -4.71  -3.58  -418.339321    3      1      
iter:  12  10:57:43  -4.87  -3.42  -418.344704    3      1      
iter:  13  11:02:18  -4.94  -3.23  -418.340167    3      1      
iter:  14  11:06:53  -5.36  -3.77  -418.339646    3      1      
iter:  15  11:11:27  -5.49  -3.80  -418.339461    3      1      
iter:  16  11:16:02  -5.76  -3.92  -418.338927    3      1      
iter:  17  11:20:37  -5.81  -4.10  -418.339483    3      1      
iter:  18  11:25:11  -6.14  -4.08  -418.339038    3      1      
iter:  19  11:29:46  -6.64  -4.06  -418.338908    2      1      
iter:  20  11:34:21  -6.47  -4.14  -418.338984    3      1      
iter:  21  11:38:56  -6.41  -4.37  -418.338972    3      1      
iter:  22  11:43:31  -6.58  -4.46  -418.339026    3      1      
iter:  23  11:48:06  -7.33  -4.80  -418.338977    2      1      
iter:  24  11:52:40  -7.65  -4.79  -418.339107    2      1      

Converged after 24 iterations.

Dipole moment: (-55.909309, -33.210056, 0.169268) |e|*Ang

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

Kinetic:        +14.296019
Potential:     -133.704287
External:        +0.000000
XC:            -309.122000
Entropy (-ST):   -1.629300
Local:          +11.005811
--------------------------
Free energy:   -419.153757
Extrapolated:  -418.339107

Fermi level: -6.39578

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.46086    0.14605
  0   343     -6.45824    0.14473
  0   344     -6.44774    0.13935
  0   345     -6.44649    0.13870

  1   342     -6.37089    0.19471
  1   343     -6.36828    0.19186
  1   344     -6.31721    0.13916
  1   345     -6.27972    0.10603



Forces in eV/Ang:
  0 O    -0.00001   -0.01817    1.17691
  1 Pt   -0.00013   -0.00189   -0.39076
  2 Pt   -0.00003   -0.01909   -0.44426
  3 O    -1.68466    0.00036   -0.71916
  4 O     1.68468    0.00035   -0.71919
  5 O     0.00010   -0.04186   -1.39808
  6 O    -0.00003    0.00134    1.77323
  7 Pt   -0.00003    0.01684    0.46905
  8 Pt   -0.00011    0.05897    0.96038
  9 O    -1.58332    0.00415    0.05728
 10 O     1.58320    0.00429    0.05735
 11 O     0.00014    0.01546   -0.61888
 12 O    -0.00053   -0.32854   -0.12681
 13 Pt   -0.00078    0.40352   -0.28945
 14 Pt    0.00072   -0.02139    0.01667
 15 O     0.00355    0.00052    0.01467
 16 O    -0.00195   -0.00089    0.01279
 17 O     0.02239    0.17891   -1.11209
 18 O     0.00062   -0.00923    0.02976
 19 Pt    0.00053    0.01983    0.05548
 20 Pt   -0.00670   -0.51672    0.09858
 21 O    -0.33770    0.54330    0.37507
 22 O     0.33966    0.54256    0.37408
 23 O     0.00161    0.01063    0.00728
 24 O     0.00002   -0.00089    1.15198
 25 Pt   -0.00016    0.02724   -0.39218
 26 Pt    0.00001   -0.00111   -0.43694
 27 O    -1.69297    0.01330   -0.71871
 28 O     1.69300    0.01331   -0.71876
 29 O     0.00013    0.03646   -1.39978
 30 O    -0.00004   -0.00092    1.82430
 31 Pt   -0.00003    0.01095    0.53854
 32 Pt    0.00019   -0.12119    0.67421
 33 O    -1.60235   -0.01987    0.04512
 34 O     1.60221   -0.02000    0.04516
 35 O     0.00023   -0.01341   -0.69040
 36 O    -0.00075    0.25712    0.05947
 37 Pt    0.00001   -0.17930   -0.06647
 38 Pt    0.00003    0.01489    0.04392
 39 O     0.05163    0.00247   -0.00390
 40 O    -0.05049    0.00396   -0.00559
 41 O     0.00044   -0.19971   -0.50122
 42 O    -0.00152   -0.03826    0.04850
 43 Pt    0.00148   -0.13062   -0.20675
 44 Pt   -0.00164    0.08446   -0.93834
 45 O    -0.08388   -0.14290    0.66959
 46 O     0.08496   -0.14586    0.66770
 47 O     0.00014    0.03014    0.10839
 48 O     0.00002    0.01912    1.17257
 49 Pt   -0.00009   -0.02522   -0.39146
 50 Pt    0.00001    0.02050   -0.44396
 51 O    -1.69317   -0.01369   -0.71962
 52 O     1.69322   -0.01370   -0.71962
 53 O     0.00015    0.00569   -1.41442
 54 O    -0.00004   -0.00206    1.78279
 55 Pt    0.00014   -0.02463    0.52644
 56 Pt    0.00005    0.06494    0.80460
 57 O    -1.61069    0.01369    0.07163
 58 O     1.61064    0.01366    0.07135
 59 O     0.00019   -0.01205   -0.59492
 60 O    -0.00026    0.02560   -0.32686
 61 Pt    0.00065   -0.12398   -0.24669
 62 Pt    0.00014   -0.00510    0.00604
 63 O     0.01940   -0.00976    0.01188
 64 O    -0.01942   -0.00962    0.01124
 65 O    -0.00021   -0.02261   -0.02986
 66 O    -0.00095    0.00100    0.00795
 67 Pt    0.00001    0.09601   -0.09893
 68 Pt    0.00103   -0.00574   -0.10245
 69 O    -0.05124   -0.14796    0.63629
 70 O     0.04652   -0.14617    0.63599
 71 O     0.00046   -0.02395    0.01715
 72 N    -0.11969    1.66613   -2.61409
 73 N     0.54422    0.68622   -1.06359
 74 O    -0.36935   -2.38126    3.70640

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   NO                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
            O  O  OOPt   O         
       Pt  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      3.228756    2.183640   26.310104    ( 0.0000,  0.0000,  0.0000)
  73 N      3.226389    2.778626   25.308965    ( 0.0000,  0.0000,  0.0000)
  74 O      3.292839    3.423754   24.234157    ( 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  12:02:50  -2.17   +inf  -419.268313    4      1      
iter:   2  12:07:26  -1.99  -2.15  -434.657255    36     1      
iter:   3  12:12:03  -2.42  -1.58  -418.655572    34     1      
iter:   4  12:16:40  -2.95  -2.43  -418.500502    4      1      
iter:   5  12:21:18  -3.53  -2.82  -418.454598    3      1      
iter:   6  12:25:55  -3.67  -3.03  -418.452403    3      1      
iter:   7  12:30:32  -3.97  -2.94  -418.434472    3      1      
iter:   8  12:35:09  -4.24  -3.42  -418.433742    3      1      
iter:   9  12:39:46  -4.52  -3.51  -418.431993    3      1      
iter:  10  12:44:23  -4.63  -3.52  -418.432471    3      1      
iter:  11  12:49:00  -4.92  -3.57  -418.427167    3      1      
iter:  12  12:53:36  -4.65  -3.53  -418.430799    3      1      
iter:  13  12:58:11  -4.80  -3.37  -418.428262    3      1      
iter:  14  13:02:46  -5.47  -3.96  -418.428147    2      1      
iter:  15  13:07:22  -5.74  -4.07  -418.428138    2      1      
iter:  16  13:11:59  -5.81  -4.13  -418.427330    2      1      
iter:  17  13:16:35  -5.97  -4.06  -418.428186    3      1      
iter:  18  13:21:10  -6.42  -4.12  -418.427847    2      1      
iter:  19  13:25:46  -6.93  -4.38  -418.427853    2      1      
iter:  20  13:30:23  -6.24  -4.26  -418.427765    3      1      
iter:  21  13:34:59  -6.60  -4.39  -418.427800    2      1      
iter:  22  13:39:34  -6.70  -4.55  -418.427796    2      1      
iter:  23  13:44:09  -7.05  -4.87  -418.427918    2      1      
iter:  24  13:48:44  -7.23  -4.78  -418.427838    2      1      
iter:  25  13:53:19  -7.57  -4.53  -418.427790    2      1      

Converged after 25 iterations.

Dipole moment: (-55.908716, -33.195593, 0.140376) |e|*Ang

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

Kinetic:        +15.929099
Potential:     -134.990752
External:        +0.000000
XC:            -309.560353
Entropy (-ST):   -1.629519
Local:          +11.008976
--------------------------
Free energy:   -419.242549
Extrapolated:  -418.427790

Fermi level: -6.41964

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.48465    0.14601
  0   343     -6.48212    0.14473
  0   344     -6.47164    0.13937
  0   345     -6.47036    0.13870

  1   342     -6.39495    0.19493
  1   343     -6.39222    0.19194
  1   344     -6.34105    0.13913
  1   345     -6.30357    0.10601



Forces in eV/Ang:
  0 O    -0.00001   -0.01816    1.17784
  1 Pt   -0.00013   -0.00188   -0.38875
  2 Pt   -0.00003   -0.01911   -0.44119
  3 O    -1.68358    0.00035   -0.71754
  4 O     1.68360    0.00035   -0.71757
  5 O     0.00010   -0.04182   -1.39804
  6 O    -0.00003    0.00133    1.77589
  7 Pt   -0.00003    0.01684    0.46950
  8 Pt   -0.00010    0.05897    0.96073
  9 O    -1.58364    0.00415    0.05726
 10 O     1.58353    0.00429    0.05733
 11 O     0.00014    0.01543   -0.61916
 12 O    -0.00053   -0.32875   -0.12776
 13 Pt   -0.00077    0.40340   -0.28955
 14 Pt    0.00072   -0.02108    0.01682
 15 O     0.00344    0.00056    0.01470
 16 O    -0.00184   -0.00085    0.01281
 17 O     0.02239    0.17991   -1.10968
 18 O     0.00062   -0.00898    0.02913
 19 Pt    0.00051    0.01896    0.04944
 20 Pt   -0.00675   -0.51881    0.09518
 21 O    -0.33826    0.54301    0.36892
 22 O     0.34024    0.54227    0.36791
 23 O     0.00151    0.01129    0.00542
 24 O     0.00002   -0.00090    1.15285
 25 Pt   -0.00016    0.02722   -0.39017
 26 Pt    0.00001   -0.00110   -0.43389
 27 O    -1.69189    0.01330   -0.71708
 28 O     1.69192    0.01331   -0.71713
 29 O     0.00012    0.03646   -1.39969
 30 O    -0.00004   -0.00095    1.82694
 31 Pt   -0.00003    0.01096    0.53904
 32 Pt    0.00019   -0.12130    0.67454
 33 O    -1.60269   -0.01987    0.04515
 34 O     1.60255   -0.02000    0.04518
 35 O     0.00023   -0.01341   -0.69058
 36 O    -0.00074    0.25696    0.05881
 37 Pt   -0.00002   -0.17879   -0.06589
 38 Pt    0.00003    0.01468    0.04398
 39 O     0.05147    0.00244   -0.00336
 40 O    -0.05033    0.00394   -0.00505
 41 O     0.00042   -0.20068   -0.50296
 42 O    -0.00153   -0.03854    0.04774
 43 Pt    0.00145   -0.13215   -0.21387
 44 Pt   -0.00120    0.08528   -0.93912
 45 O    -0.08497   -0.14269    0.66725
 46 O     0.08601   -0.14560    0.66515
 47 O     0.00025    0.02978    0.10943
 48 O     0.00002    0.01911    1.17349
 49 Pt   -0.00009   -0.02520   -0.38947
 50 Pt    0.00001    0.02051   -0.44090
 51 O    -1.69210   -0.01369   -0.71800
 52 O     1.69215   -0.01370   -0.71800
 53 O     0.00015    0.00566   -1.41441
 54 O    -0.00004   -0.00201    1.78538
 55 Pt    0.00014   -0.02464    0.52695
 56 Pt    0.00005    0.06502    0.80494
 57 O    -1.61101    0.01369    0.07163
 58 O     1.61095    0.01366    0.07136
 59 O     0.00018   -0.01202   -0.59511
 60 O    -0.00025    0.02598   -0.32765
 61 Pt    0.00061   -0.12438   -0.24690
 62 Pt    0.00014   -0.00521    0.00587
 63 O     0.01924   -0.00978    0.01195
 64 O    -0.01926   -0.00964    0.01132
 65 O    -0.00022   -0.02285   -0.03012
 66 O    -0.00095    0.00095    0.00752
 67 Pt   -0.00003    0.09818   -0.10572
 68 Pt    0.00105   -0.00470   -0.11089
 69 O    -0.05201   -0.14829    0.63140
 70 O     0.04725   -0.14647    0.63111
 71 O     0.00046   -0.02435    0.01414
 72 N    -0.12069    1.50862   -2.47303
 73 N     0.53524    0.35579   -0.47946
 74 O    -0.31587   -1.89867    3.07192

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   NO                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
            O  O  OOPt   O         
       Pt  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      3.227414    2.212907   26.333822    ( 0.0000,  0.0000,  0.0000)
  73 N      3.226541    2.776052   25.319745    ( 0.0000,  0.0000,  0.0000)
  74 O      3.288475    3.385148   24.243671    ( 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  14:03:29  -2.16   +inf  -419.371958    35     1      
iter:   2  14:08:07  -1.98  -2.15  -434.429316    36     1      
iter:   3  14:12:44  -2.39  -1.58  -418.734729    32     1      
iter:   4  14:17:22  -2.90  -2.39  -418.601947    4      1      
iter:   5  14:21:59  -3.51  -2.70  -418.528114    3      1      
iter:   6  14:26:37  -3.68  -3.05  -418.510295    3      1      
iter:   7  14:31:13  -3.88  -3.23  -418.505556    3      1      
iter:   8  14:35:50  -4.15  -3.56  -418.504152    3      1      
iter:   9  14:40:27  -4.43  -3.39  -418.501630    3      1      
iter:  10  14:45:05  -4.80  -3.75  -418.503082    3      1      
iter:  11  14:49:43  -4.61  -3.41  -418.497926    3      1      
iter:  12  14:54:20  -4.82  -3.72  -418.498982    3      1      
iter:  13  14:58:59  -5.32  -3.87  -418.498296    3      1      
iter:  14  15:03:37  -5.69  -3.92  -418.498310    3      1      
iter:  15  15:08:15  -5.92  -4.08  -418.498126    2      1      
iter:  16  15:12:53  -5.69  -4.01  -418.497709    2      1      
iter:  17  15:17:29  -6.18  -4.19  -418.498141    2      1      
iter:  18  15:22:04  -6.65  -4.18  -418.497736    3      1      
iter:  19  15:26:39  -6.56  -4.25  -418.497967    3      1      
iter:  20  15:31:14  -6.57  -4.44  -418.497889    3      1      
iter:  21  15:35:49  -6.53  -4.45  -418.497997    3      1      
iter:  22  15:40:24  -7.03  -4.53  -418.498008    2      1      
iter:  23  15:44:59  -7.22  -4.78  -418.497897    2      1      
iter:  24  15:49:34  -7.44  -4.59  -418.497967    2      1      

Converged after 24 iterations.

Dipole moment: (-55.908370, -33.186187, 0.118888) |e|*Ang

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

Kinetic:        +17.746314
Potential:     -136.390808
External:        +0.000000
XC:            -310.048232
Entropy (-ST):   -1.629268
Local:          +11.009394
--------------------------
Free energy:   -419.312601
Extrapolated:  -418.497967

Fermi level: -6.43760

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.50249    0.14595
  0   343     -6.49990    0.14465
  0   344     -6.48977    0.13945
  0   345     -6.48837    0.13873

  1   342     -6.41278    0.19479
  1   343     -6.41003    0.19178
  1   344     -6.35915    0.13927
  1   345     -6.32139    0.10591



Forces in eV/Ang:
  0 O    -0.00001   -0.01817    1.17807
  1 Pt   -0.00014   -0.00187   -0.39020
  2 Pt   -0.00003   -0.01911   -0.44211
  3 O    -1.68275    0.00037   -0.71822
  4 O     1.68278    0.00037   -0.71825
  5 O     0.00010   -0.04182   -1.39865
  6 O    -0.00003    0.00136    1.77763
  7 Pt   -0.00003    0.01680    0.46952
  8 Pt   -0.00010    0.05895    0.96086
  9 O    -1.58288    0.00414    0.05716
 10 O     1.58277    0.00427    0.05723
 11 O     0.00013    0.01541   -0.61918
 12 O    -0.00052   -0.32852   -0.12771
 13 Pt   -0.00076    0.40287   -0.28803
 14 Pt    0.00073   -0.02114    0.01802
 15 O     0.00393    0.00057    0.01471
 16 O    -0.00233   -0.00084    0.01283
 17 O     0.02233    0.17966   -1.10384
 18 O     0.00064   -0.00862    0.02812
 19 Pt    0.00050    0.01919    0.05155
 20 Pt   -0.00685   -0.52055    0.09270
 21 O    -0.33839    0.54304    0.37176
 22 O     0.34037    0.54232    0.37075
 23 O     0.00142    0.01166    0.00587
 24 O     0.00002   -0.00089    1.15312
 25 Pt   -0.00016    0.02724   -0.39158
 26 Pt    0.00001   -0.00111   -0.43473
 27 O    -1.69106    0.01328   -0.71776
 28 O     1.69109    0.01329   -0.71780
 29 O     0.00012    0.03646   -1.40027
 30 O    -0.00004   -0.00096    1.82887
 31 Pt   -0.00003    0.01097    0.53898
 32 Pt    0.00019   -0.12132    0.67446
 33 O    -1.60198   -0.01982    0.04503
 34 O     1.60184   -0.01995    0.04506
 35 O     0.00024   -0.01340   -0.69067
 36 O    -0.00074    0.25676    0.05892
 37 Pt   -0.00005   -0.17788   -0.06356
 38 Pt    0.00003    0.01470    0.04519
 39 O     0.05178    0.00241   -0.00316
 40 O    -0.05063    0.00391   -0.00485
 41 O     0.00042   -0.20065   -0.49602
 42 O    -0.00154   -0.03859    0.04669
 43 Pt    0.00144   -0.13368   -0.21440
 44 Pt   -0.00075    0.08632   -0.93450
 45 O    -0.08520   -0.14198    0.66536
 46 O     0.08621   -0.14484    0.66314
 47 O     0.00035    0.02960    0.11194
 48 O     0.00002    0.01912    1.17371
 49 Pt   -0.00009   -0.02524   -0.39089
 50 Pt    0.00001    0.02053   -0.44178
 51 O    -1.69125   -0.01369   -0.71868
 52 O     1.69129   -0.01370   -0.71869
 53 O     0.00015    0.00566   -1.41497
 54 O    -0.00004   -0.00203    1.78732
 55 Pt    0.00014   -0.02461    0.52695
 56 Pt    0.00005    0.06505    0.80507
 57 O    -1.61029    0.01365    0.07159
 58 O     1.61023    0.01363    0.07131
 59 O     0.00019   -0.01200   -0.59510
 60 O    -0.00025    0.02603   -0.32726
 61 Pt    0.00057   -0.12482   -0.24481
 62 Pt    0.00014   -0.00518    0.00678
 63 O     0.01969   -0.00974    0.01193
 64 O    -0.01971   -0.00962    0.01130
 65 O    -0.00022   -0.02273   -0.02422
 66 O    -0.00095    0.00063    0.00669
 67 Pt   -0.00005    0.09928   -0.10438
 68 Pt    0.00105   -0.00458   -0.10920
 69 O    -0.05225   -0.14880    0.63368
 70 O     0.04743   -0.14696    0.63338
 71 O     0.00046   -0.02474    0.01523
 72 N    -0.12411    1.17865   -2.09002
 73 N     0.46783    0.20331   -0.20625
 74 O    -0.28827   -1.36717    2.37394

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   NO                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
            O  O  OOPt   O         
       Pt  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      3.228132    2.219208   26.326571    ( 0.0000,  0.0000,  0.0000)
  73 N      3.230123    2.774637   25.327970    ( 0.0000,  0.0000,  0.0000)
  74 O      3.285146    3.388496   24.246761    ( 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  15:59:43  -3.01   +inf  -418.732223    34     1      
iter:   2  16:04:21  -2.71  -2.47  -422.292280    4      1      
iter:   3  16:08:58  -3.03  -1.85  -418.589723    4      1      
iter:   4  16:13:36  -3.50  -2.63  -418.552057    4      1      
iter:   5  16:18:14  -4.16  -2.97  -418.524927    3      1      
iter:   6  16:22:51  -4.10  -3.25  -418.513745    3      1      
iter:   7  16:27:27  -4.48  -3.47  -418.515809    3      1      
iter:   8  16:32:04  -4.57  -3.29  -418.514687    3      1      
iter:   9  16:36:41  -4.97  -3.43  -418.511678    3      1      
iter:  10  16:41:18  -5.06  -3.55  -418.513066    3      1      
iter:  11  16:45:55  -4.98  -3.48  -418.508999    3      1      
iter:  12  16:50:31  -4.75  -3.89  -418.509130    3      1      
iter:  13  16:55:08  -4.91  -3.94  -418.508659    3      1      
iter:  14  16:59:45  -5.34  -4.12  -418.508872    3      1      
iter:  15  17:04:25  -5.62  -3.90  -418.508364    2      1      
iter:  16  17:09:00  -5.85  -3.97  -418.508251    3      1      
iter:  17  17:13:35  -5.96  -4.53  -418.508662    3      1      
iter:  18  17:18:09  -6.65  -4.29  -418.508120    2      1      
iter:  19  17:22:44  -6.76  -4.47  -418.508361    2      1      
iter:  20  17:27:18  -6.81  -4.54  -418.508265    2      1      
iter:  21  17:31:53  -7.40  -4.73  -418.508279    2      1      

Converged after 21 iterations.

Dipole moment: (-55.908302, -33.196410, 0.139780) |e|*Ang

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

Kinetic:        +19.495169
Potential:     -137.777591
External:        +0.000000
XC:            -310.421893
Entropy (-ST):   -1.629337
Local:          +11.010704
--------------------------
Free energy:   -419.322948
Extrapolated:  -418.508279

Fermi level: -6.41997

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.48497    0.14600
  0   343     -6.48235    0.14468
  0   344     -6.47206    0.13941
  0   345     -6.47072    0.13871

  1   342     -6.39526    0.19490
  1   343     -6.39246    0.19184
  1   344     -6.34146    0.13921
  1   345     -6.30376    0.10590



Forces in eV/Ang:
  0 O    -0.00001   -0.01818    1.17792
  1 Pt   -0.00014   -0.00184   -0.38955
  2 Pt   -0.00003   -0.01911   -0.44219
  3 O    -1.68319    0.00036   -0.71831
  4 O     1.68321    0.00036   -0.71835
  5 O     0.00010   -0.04180   -1.39840
  6 O    -0.00003    0.00138    1.77661
  7 Pt   -0.00003    0.01685    0.46993
  8 Pt   -0.00010    0.05901    0.96125
  9 O    -1.58361    0.00416    0.05753
 10 O     1.58349    0.00429    0.05760
 11 O     0.00014    0.01545   -0.61872
 12 O    -0.00052   -0.32855   -0.12773
 13 Pt   -0.00075    0.40222   -0.28912
 14 Pt    0.00073   -0.02126    0.01671
 15 O     0.00341    0.00062    0.01476
 16 O    -0.00182   -0.00080    0.01288
 17 O     0.02239    0.17918   -1.10404
 18 O     0.00065   -0.00900    0.02867
 19 Pt    0.00051    0.01970    0.04974
 20 Pt   -0.00686   -0.51776    0.08972
 21 O    -0.33779    0.54266    0.37260
 22 O     0.33978    0.54195    0.37157
 23 O     0.00130    0.00976    0.00430
 24 O     0.00002   -0.00089    1.15296
 25 Pt   -0.00016    0.02719   -0.39091
 26 Pt    0.00001   -0.00112   -0.43482
 27 O    -1.69149    0.01328   -0.71785
 28 O     1.69152    0.01329   -0.71789
 29 O     0.00012    0.03651   -1.39997
 30 O    -0.00004   -0.00092    1.82781
 31 Pt   -0.00003    0.01094    0.53943
 32 Pt    0.00019   -0.12140    0.67482
 33 O    -1.60269   -0.01984    0.04543
 34 O     1.60254   -0.01997    0.04546
 35 O     0.00024   -0.01340   -0.69025
 36 O    -0.00074    0.25680    0.05895
 37 Pt   -0.00007   -0.17762   -0.06498
 38 Pt    0.00003    0.01481    0.04396
 39 O     0.05141    0.00244   -0.00326
 40 O    -0.05026    0.00395   -0.00495
 41 O     0.00040   -0.20041   -0.49825
 42 O    -0.00154   -0.03848    0.04738
 43 Pt    0.00139   -0.13268   -0.21428
 44 Pt   -0.00046    0.08486   -0.93675
 45 O    -0.08465   -0.14164    0.66482
 46 O     0.08563   -0.14449    0.66254
 47 O     0.00031    0.03091    0.10925
 48 O     0.00002    0.01912    1.17357
 49 Pt   -0.00009   -0.02522   -0.39021
 50 Pt    0.00001    0.02053   -0.44188
 51 O    -1.69169   -0.01368   -0.71877
 52 O     1.69173   -0.01369   -0.71877
 53 O     0.00015    0.00559   -1.41471
 54 O    -0.00004   -0.00209    1.78617
 55 Pt    0.00014   -0.02464    0.52735
 56 Pt    0.00005    0.06508    0.80534
 57 O    -1.61100    0.01366    0.07195
 58 O     1.61094    0.01364    0.07167
 59 O     0.00019   -0.01204   -0.59466
 60 O    -0.00025    0.02611   -0.32738
 61 Pt    0.00056   -0.12444   -0.24606
 62 Pt    0.00014   -0.00516    0.00584
 63 O     0.01927   -0.00983    0.01203
 64 O    -0.01928   -0.00970    0.01139
 65 O    -0.00022   -0.02281   -0.02728
 66 O    -0.00095    0.00093    0.00698
 67 Pt   -0.00007    0.09772   -0.10491
 68 Pt    0.00103   -0.00484   -0.10940
 69 O    -0.05165   -0.14874    0.63471
 70 O     0.04682   -0.14690    0.63440
 71 O     0.00047   -0.02430    0.01622
 72 N    -0.10929    0.33526   -0.58352
 73 N     0.39429    1.14869   -1.90197
 74 O    -0.26134   -1.50072    2.56447

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   NO                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
            O  O  OOPt   O         
       Pt  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      3.230305    2.213135   26.319307    ( 0.0000,  0.0000,  0.0000)
  73 N      3.234156    2.778868   25.324671    ( 0.0000,  0.0000,  0.0000)
  74 O      3.281897    3.408112   24.247730    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:42:03  -2.89   +inf  -418.510432    4      1      
iter:   2  17:46:41  -3.43  -2.95  -418.914098    3      1      
iter:   3  17:51:18  -3.79  -2.29  -418.517472    3      1      
iter:   4  17:55:55  -4.28  -3.07  -418.497586    3      1      
iter:   5  18:00:33  -4.47  -3.65  -418.496219    3      1      
iter:   6  18:05:10  -4.79  -3.97  -418.496969    3      1      
iter:   7  18:09:47  -5.24  -3.70  -418.495952    3      1      
iter:   8  18:14:24  -5.50  -4.15  -418.495808    3      1      
iter:   9  18:19:01  -5.35  -4.11  -418.495898    3      1      
iter:  10  18:23:38  -5.78  -4.11  -418.494979    2      1      
iter:  11  18:28:14  -6.05  -4.13  -418.495440    3      1      
iter:  12  18:32:51  -6.56  -4.47  -418.495339    2      1      
iter:  13  18:37:28  -6.69  -4.51  -418.495485    2      1      
iter:  14  18:42:05  -6.57  -4.34  -418.495474    2      1      
iter:  15  18:46:43  -6.91  -4.74  -418.495463    2      1      
iter:  16  18:51:20  -7.48  -4.67  -418.495607    2      1      

Converged after 16 iterations.

Dipole moment: (-55.907520, -33.199667, 0.148639) |e|*Ang

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

Kinetic:        +19.160696
Potential:     -137.551790
External:        +0.000000
XC:            -310.299367
Entropy (-ST):   -1.629057
Local:          +11.009382
--------------------------
Free energy:   -419.310136
Extrapolated:  -418.495607

Fermi level: -6.41314

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.47817    0.14602
  0   343     -6.47551    0.14468
  0   344     -6.46522    0.13941
  0   345     -6.46390    0.13872

  1   342     -6.38818    0.19463
  1   343     -6.38558    0.19180
  1   344     -6.33465    0.13923
  1   345     -6.29697    0.10594



Forces in eV/Ang:
  0 O    -0.00001   -0.01814    1.17923
  1 Pt   -0.00014   -0.00188   -0.38902
  2 Pt   -0.00003   -0.01908   -0.44101
  3 O    -1.68382    0.00037   -0.71759
  4 O     1.68384    0.00037   -0.71763
  5 O     0.00011   -0.04183   -1.39861
  6 O    -0.00003    0.00133    1.77396
  7 Pt   -0.00003    0.01683    0.46854
  8 Pt   -0.00010    0.05898    0.95999
  9 O    -1.58321    0.00415    0.05708
 10 O     1.58309    0.00428    0.05715
 11 O     0.00014    0.01546   -0.61891
 12 O    -0.00053   -0.32843   -0.12784
 13 Pt   -0.00074    0.40277   -0.28828
 14 Pt    0.00074   -0.02114    0.01778
 15 O     0.00399    0.00058    0.01484
 16 O    -0.00239   -0.00084    0.01295
 17 O     0.02245    0.17959   -1.10443
 18 O     0.00069   -0.00865    0.02894
 19 Pt    0.00053    0.01849    0.04335
 20 Pt   -0.00684   -0.51671    0.08875
 21 O    -0.33844    0.54260    0.36687
 22 O     0.34043    0.54191    0.36582
 23 O     0.00113    0.00985    0.00088
 24 O     0.00002   -0.00090    1.15428
 25 Pt   -0.00016    0.02723   -0.39044
 26 Pt    0.00001   -0.00113   -0.43366
 27 O    -1.69215    0.01328   -0.71713
 28 O     1.69218    0.01329   -0.71718
 29 O     0.00013    0.03649   -1.40034
 30 O    -0.00004   -0.00092    1.82509
 31 Pt   -0.00003    0.01096    0.53806
 32 Pt    0.00019   -0.12132    0.67369
 33 O    -1.60224   -0.01987    0.04498
 34 O     1.60209   -0.02000    0.04502
 35 O     0.00024   -0.01341   -0.69040
 36 O    -0.00075    0.25707    0.05860
 37 Pt   -0.00006   -0.17833   -0.06388
 38 Pt    0.00004    0.01472    0.04489
 39 O     0.05194    0.00249   -0.00321
 40 O    -0.05078    0.00400   -0.00491
 41 O     0.00040   -0.20067   -0.49601
 42 O    -0.00150   -0.03879    0.04774
 43 Pt    0.00129   -0.13171   -0.22053
 44 Pt   -0.00018    0.08313   -0.93932
 45 O    -0.08501   -0.14192    0.65809
 46 O     0.08595   -0.14470    0.65583
 47 O     0.00036    0.03159    0.10545
 48 O     0.00002    0.01909    1.17490
 49 Pt   -0.00009   -0.02522   -0.38970
 50 Pt    0.00001    0.02051   -0.44066
 51 O    -1.69232   -0.01369   -0.71806
 52 O     1.69237   -0.01370   -0.71807
 53 O     0.00015    0.00563   -1.41496
 54 O    -0.00005   -0.00205    1.78369
 55 Pt    0.00014   -0.02463    0.52600
 56 Pt    0.00005    0.06503    0.80413
 57 O    -1.61058    0.01370    0.07147
 58 O     1.61052    0.01368    0.07120
 59 O     0.00019   -0.01205   -0.59500
 60 O    -0.00027    0.02559   -0.32755
 61 Pt    0.00054   -0.12423   -0.24558
 62 Pt    0.00014   -0.00518    0.00661
 63 O     0.01974   -0.00983    0.01193
 64 O    -0.01975   -0.00971    0.01129
 65 O    -0.00021   -0.02268   -0.02628
 66 O    -0.00095    0.00095    0.00725
 67 Pt   -0.00006    0.09809   -0.10991
 68 Pt    0.00102   -0.00498   -0.11782
 69 O    -0.05229   -0.14852    0.63006
 70 O     0.04742   -0.14673    0.62979
 71 O     0.00047   -0.02500    0.01160
 72 N    -0.10624    0.43261   -0.76913
 73 N     0.32368    1.18480   -1.89237
 74 O    -0.20852   -1.63282    2.71876

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   NO                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
            O  O  OOPt   O         
       Pt  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      3.232642    2.207026   26.316853    ( 0.0000,  0.0000,  0.0000)
  73 N      3.236492    2.784004   25.318190    ( 0.0000,  0.0000,  0.0000)
  74 O      3.279346    3.426974   24.248223    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:13:14  -2.87   +inf  -418.584608    4      1      
iter:   2  19:17:51  -2.93  -2.59  -420.401313    4      1      
iter:   3  19:22:28  -3.22  -1.98  -418.602061    3      1      
iter:   4  19:27:05  -3.75  -2.63  -418.492714    3      1      
iter:   5  19:31:43  -4.28  -3.28  -418.488190    3      1      
iter:   6  19:36:20  -4.57  -3.58  -418.485675    3      1      
iter:   7  19:40:59  -4.53  -3.45  -418.482965    3      1      
iter:   8  19:45:36  -4.61  -3.68  -418.480401    3      1      
iter:   9  19:50:15  -4.89  -3.76  -418.480739    3      1      
iter:  10  19:54:53  -5.27  -3.97  -418.479619    3      1      
iter:  11  19:59:30  -5.87  -4.02  -418.480397    2      1      
iter:  12  20:04:06  -5.79  -3.76  -418.479952    3      1      
iter:  13  20:08:42  -5.88  -4.20  -418.479780    3      1      
iter:  14  20:13:17  -6.08  -4.29  -418.479889    3      1      
iter:  15  20:17:53  -6.50  -4.29  -418.479695    3      1      
iter:  16  20:22:28  -6.62  -4.27  -418.479792    3      1      
iter:  17  20:27:04  -6.42  -4.55  -418.479678    3      1      
iter:  18  20:31:38  -7.24  -4.60  -418.479731    2      1      
iter:  19  20:36:13  -7.21  -4.64  -418.479720    2      1      
iter:  20  20:40:48  -7.18  -4.61  -418.479652    2      1      
iter:  21  20:45:23  -7.14  -4.93  -418.479735    2      1      
iter:  22  20:49:58  -7.72  -5.07  -418.479714    2      1      

Converged after 22 iterations.

Dipole moment: (-55.906944, -33.195350, 0.139864) |e|*Ang

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

Kinetic:        +17.881142
Potential:     -136.545510
External:        +0.000000
XC:            -310.010120
Entropy (-ST):   -1.629403
Local:          +11.009476
--------------------------
Free energy:   -419.294415
Extrapolated:  -418.479714

Fermi level: -6.42001

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.48488    0.14594
  0   343     -6.48240    0.14469
  0   344     -6.47226    0.13950
  0   345     -6.47083    0.13875

  1   342     -6.39530    0.19492
  1   343     -6.39241    0.19176
  1   344     -6.34158    0.13929
  1   345     -6.30395    0.10603



Forces in eV/Ang:
  0 O    -0.00001   -0.01815    1.17920
  1 Pt   -0.00014   -0.00188   -0.38845
  2 Pt   -0.00003   -0.01910   -0.44084
  3 O    -1.68206    0.00036   -0.71783
  4 O     1.68209    0.00036   -0.71787
  5 O     0.00010   -0.04183   -1.39885
  6 O    -0.00003    0.00132    1.77926
  7 Pt   -0.00003    0.01683    0.47057
  8 Pt   -0.00009    0.05901    0.96153
  9 O    -1.58345    0.00416    0.05760
 10 O     1.58334    0.00429    0.05767
 11 O     0.00013    0.01542   -0.61879
 12 O    -0.00052   -0.32843   -0.12750
 13 Pt   -0.00073    0.40359   -0.28811
 14 Pt    0.00073   -0.02113    0.01732
 15 O     0.00348    0.00061    0.01459
 16 O    -0.00189   -0.00081    0.01270
 17 O     0.02238    0.18003   -1.10532
 18 O     0.00067   -0.00868    0.02900
 19 Pt    0.00052    0.01831    0.04490
 20 Pt   -0.00695   -0.51814    0.09153
 21 O    -0.33856    0.54288    0.36797
 22 O     0.34058    0.54217    0.36688
 23 O     0.00102    0.00997   -0.00049
 24 O     0.00002   -0.00089    1.15424
 25 Pt   -0.00016    0.02723   -0.38985
 26 Pt    0.00001   -0.00110   -0.43352
 27 O    -1.69039    0.01328   -0.71738
 28 O     1.69042    0.01329   -0.71742
 29 O     0.00012    0.03645   -1.40055
 30 O    -0.00004   -0.00094    1.83039
 31 Pt   -0.00003    0.01097    0.54008
 32 Pt    0.00019   -0.12128    0.67537
 33 O    -1.60254   -0.01986    0.04550
 34 O     1.60239   -0.02000    0.04553
 35 O     0.00024   -0.01340   -0.69023
 36 O    -0.00073    0.25722    0.05894
 37 Pt   -0.00006   -0.17901   -0.06358
 38 Pt    0.00003    0.01471    0.04438
 39 O     0.05139    0.00244   -0.00311
 40 O    -0.05024    0.00396   -0.00481
 41 O     0.00041   -0.20052   -0.49295
 42 O    -0.00153   -0.03862    0.04766
 43 Pt    0.00132   -0.13156   -0.22042
 44 Pt   -0.00017    0.08352   -0.93923
 45 O    -0.08485   -0.14234    0.65921
 46 O     0.08584   -0.14513    0.65711
 47 O     0.00038    0.03150    0.10408
 48 O     0.00002    0.01909    1.17485
 49 Pt   -0.00009   -0.02522   -0.38916
 50 Pt    0.00001    0.02050   -0.44053
 51 O    -1.69058   -0.01369   -0.71830
 52 O     1.69063   -0.01369   -0.71830
 53 O     0.00015    0.00568   -1.41528
 54 O    -0.00005   -0.00202    1.78885
 55 Pt    0.00014   -0.02465    0.52803
 56 Pt    0.00006    0.06497    0.80590
 57 O    -1.61083    0.01367    0.07199
 58 O     1.61077    0.01365    0.07171
 59 O     0.00019   -0.01202   -0.59477
 60 O    -0.00025    0.02540   -0.32740
 61 Pt    0.00053   -0.12435   -0.24522
 62 Pt    0.00014   -0.00520    0.00613
 63 O     0.01921   -0.00981    0.01189
 64 O    -0.01922   -0.00969    0.01125
 65 O    -0.00022   -0.02277   -0.02433
 66 O    -0.00094    0.00078    0.00720
 67 Pt   -0.00009    0.09835   -0.10905
 68 Pt    0.00098   -0.00503   -0.11590
 69 O    -0.05225   -0.14834    0.63075
 70 O     0.04739   -0.14649    0.63045
 71 O     0.00046   -0.02486    0.01020
 72 N    -0.07306    0.86238   -1.60095
 73 N     0.28577    0.81267   -1.11604
 74 O    -0.19172   -1.72834    2.76787

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   NO                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
            O  O  OOPt   O         
       Pt  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      3.238362    2.197695   26.306038    ( 0.0000,  0.0000,  0.0000)
  73 N      3.240585    2.793360   25.310779    ( 0.0000,  0.0000,  0.0000)
  74 O      3.273813    3.466566   24.249567    ( 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  21:00:10  -2.30   +inf  -418.807093    4      1      
iter:   2  21:04:47  -2.33  -2.32  -427.146183    3      1      
iter:   3  21:09:25  -2.75  -1.70  -418.493176    4      1      
iter:   4  21:14:02  -3.46  -2.80  -418.451394    3      1      
iter:   5  21:18:40  -3.76  -3.37  -418.444756    3      1      
iter:   6  21:23:17  -4.22  -3.49  -418.444181    2      1      
iter:   7  21:27:54  -4.49  -3.16  -418.442375    3      1      
iter:   8  21:32:31  -4.60  -3.51  -418.438386    3      1      
iter:   9  21:37:08  -4.68  -3.82  -418.438165    3      1      
iter:  10  21:41:45  -4.87  -3.60  -418.435670    3      1      
iter:  11  21:46:23  -5.07  -3.88  -418.435747    3      1      
iter:  12  21:51:00  -5.51  -4.03  -418.435728    3      1      
iter:  13  21:55:37  -5.79  -3.94  -418.435002    3      1      
iter:  14  22:00:15  -6.04  -3.92  -418.435871    2      1      
iter:  15  22:04:53  -6.23  -4.18  -418.435530    2      1      
iter:  16  22:09:30  -6.35  -4.41  -418.435747    2      1      
iter:  17  22:14:09  -6.52  -4.36  -418.435643    2      1      
iter:  18  22:18:47  -6.98  -4.69  -418.435682    2      1      
iter:  19  22:23:25  -7.11  -4.70  -418.435766    3      1      
iter:  20  22:28:02  -7.36  -4.52  -418.435485    2      1      
iter:  21  22:32:39  -7.29  -4.64  -418.435612    3      1      
iter:  22  22:37:14  -7.23  -4.93  -418.435542    2      1      
iter:  23  22:41:49  -7.32  -4.83  -418.435573    2      1      
iter:  24  22:46:24  -7.59  -4.83  -418.435547    2      1      

Converged after 24 iterations.

Dipole moment: (-55.906402, -33.197110, 0.144692) |e|*Ang

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

Kinetic:        +16.316183
Potential:     -135.299143
External:        +0.000000
XC:            -309.642188
Entropy (-ST):   -1.629553
Local:          +11.004377
--------------------------
Free energy:   -419.250324
Extrapolated:  -418.435547

Fermi level: -6.41629

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.48122    0.14597
  0   343     -6.47875    0.14473
  0   344     -6.46845    0.13945
  0   345     -6.46709    0.13874

  1   342     -6.39159    0.19492
  1   343     -6.38871    0.19177
  1   344     -6.33779    0.13922
  1   345     -6.30032    0.10610



Forces in eV/Ang:
  0 O    -0.00001   -0.01814    1.17801
  1 Pt   -0.00014   -0.00193   -0.38899
  2 Pt   -0.00003   -0.01909   -0.44185
  3 O    -1.68202    0.00036   -0.71830
  4 O     1.68204    0.00036   -0.71833
  5 O     0.00010   -0.04184   -1.39871
  6 O    -0.00003    0.00130    1.77916
  7 Pt   -0.00003    0.01682    0.47027
  8 Pt   -0.00009    0.05901    0.96141
  9 O    -1.58351    0.00415    0.05766
 10 O     1.58339    0.00429    0.05772
 11 O     0.00013    0.01545   -0.61872
 12 O    -0.00052   -0.32818   -0.12743
 13 Pt   -0.00070    0.40462   -0.28918
 14 Pt    0.00073   -0.02113    0.01646
 15 O     0.00326    0.00056    0.01443
 16 O    -0.00167   -0.00086    0.01254
 17 O     0.02236    0.18016   -1.10910
 18 O     0.00067   -0.00878    0.02851
 19 Pt    0.00049    0.01804    0.05040
 20 Pt   -0.00704   -0.51711    0.10814
 21 O    -0.33804    0.54322    0.37126
 22 O     0.34009    0.54247    0.37011
 23 O     0.00072    0.01072    0.00495
 24 O     0.00002   -0.00090    1.15306
 25 Pt   -0.00016    0.02726   -0.39042
 26 Pt    0.00001   -0.00110   -0.43453
 27 O    -1.69035    0.01329   -0.71784
 28 O     1.69038    0.01329   -0.71789
 29 O     0.00012    0.03641   -1.40041
 30 O    -0.00004   -0.00094    1.83030
 31 Pt   -0.00003    0.01099    0.53984
 32 Pt    0.00019   -0.12115    0.67538
 33 O    -1.60258   -0.01987    0.04555
 34 O     1.60243   -0.02000    0.04558
 35 O     0.00024   -0.01342   -0.69013
 36 O    -0.00073    0.25723    0.05881
 37 Pt   -0.00005   -0.18036   -0.06495
 38 Pt    0.00002    0.01468    0.04349
 39 O     0.05116    0.00246   -0.00352
 40 O    -0.05000    0.00398   -0.00521
 41 O     0.00039   -0.20000   -0.49363
 42 O    -0.00154   -0.03847    0.04716
 43 Pt    0.00128   -0.13052   -0.21363
 44 Pt    0.00019    0.08091   -0.93073
 45 O    -0.08396   -0.14297    0.66301
 46 O     0.08503   -0.14573    0.66073
 47 O     0.00026    0.03049    0.10707
 48 O     0.00002    0.01910    1.17367
 49 Pt   -0.00009   -0.02520   -0.38969
 50 Pt    0.00001    0.02050   -0.44152
 51 O    -1.69054   -0.01369   -0.71876
 52 O     1.69059   -0.01370   -0.71876
 53 O     0.00014    0.00571   -1.41509
 54 O    -0.00005   -0.00200    1.78879
 55 Pt    0.00014   -0.02465    0.52775
 56 Pt    0.00006    0.06484    0.80583
 57 O    -1.61090    0.01368    0.07201
 58 O     1.61084    0.01365    0.07173
 59 O     0.00019   -0.01203   -0.59475
 60 O    -0.00025    0.02500   -0.32729
 61 Pt    0.00052   -0.12397   -0.24654
 62 Pt    0.00014   -0.00519    0.00542
 63 O     0.01897   -0.00977    0.01178
 64 O    -0.01897   -0.00966    0.01116
 65 O    -0.00022   -0.02269   -0.02555
 66 O    -0.00093    0.00072    0.00659
 67 Pt   -0.00015    0.09793   -0.10439
 68 Pt    0.00094   -0.00520   -0.10709
 69 O    -0.05135   -0.14792    0.63297
 70 O     0.04649   -0.14601    0.63264
 71 O     0.00045   -0.02435    0.01375
 72 N    -0.07021    1.21712   -2.11664
 73 N     0.22556    0.78373   -0.83717
 74 O    -0.14623   -2.02430    3.06705

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   NO                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
            O  O  OOPt   O         
       Pt  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      3.237087    2.213051   26.316354    ( 0.0000,  0.0000,  0.0000)
  73 N      3.237726    2.791067   25.319097    ( 0.0000,  0.0000,  0.0000)
  74 O      3.273828    3.441912   24.252948    ( 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  22:56:35  -2.59   +inf  -418.787513    4      1      
iter:   2  23:01:14  -2.47  -2.39  -424.482989    4      1      
iter:   3  23:05:51  -2.84  -1.77  -418.573400    4      1      
iter:   4  23:10:29  -3.45  -2.57  -418.520893    4      1      
iter:   5  23:15:07  -4.08  -2.93  -418.492671    3      1      
iter:   6  23:19:44  -4.13  -3.24  -418.483447    3      1      
iter:   7  23:24:21  -4.41  -3.57  -418.484224    3      1      
iter:   8  23:28:58  -4.49  -3.37  -418.487155    3      1      
iter:   9  23:33:35  -4.67  -3.21  -418.479919    3      1      
iter:  10  23:38:12  -4.92  -3.77  -418.480487    3      1      
iter:  11  23:42:49  -5.15  -3.75  -418.479013    3      1      
iter:  12  23:47:26  -5.10  -3.92  -418.479175    3      1      
iter:  13  23:52:03  -5.68  -4.00  -418.478659    3      1      
iter:  14  23:56:41  -5.87  -4.17  -418.478804    3      1      
iter:  15  00:01:17  -5.99  -3.86  -418.478953    3      1      
iter:  16  00:05:52  -6.13  -3.82  -418.478410    3      1      
iter:  17  00:10:28  -6.39  -4.42  -418.478739    2      1      
iter:  18  00:15:03  -6.74  -4.35  -418.478520    3      1      
iter:  19  00:19:38  -6.74  -4.49  -418.478571    3      1      
iter:  20  00:24:13  -6.89  -4.64  -418.478524    3      1      
iter:  21  00:28:48  -7.05  -4.71  -418.478544    2      1      
iter:  22  00:33:23  -7.79  -4.47  -418.478567    2      1      

Converged after 22 iterations.

Dipole moment: (-55.906804, -33.193528, 0.136546) |e|*Ang

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

Kinetic:        +17.783849
Potential:     -136.441795
External:        +0.000000
XC:            -310.016864
Entropy (-ST):   -1.629335
Local:          +11.010909
--------------------------
Free energy:   -419.293235
Extrapolated:  -418.478567

Fermi level: -6.42258

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.48752    0.14597
  0   343     -6.48500    0.14470
  0   344     -6.47477    0.13946
  0   345     -6.47340    0.13875

  1   342     -6.39781    0.19483
  1   343     -6.39498    0.19175
  1   344     -6.34413    0.13927
  1   345     -6.30655    0.10605



Forces in eV/Ang:
  0 O    -0.00001   -0.01815    1.17825
  1 Pt   -0.00014   -0.00190   -0.38975
  2 Pt   -0.00003   -0.01909   -0.44227
  3 O    -1.68292    0.00036   -0.71858
  4 O     1.68295    0.00036   -0.71862
  5 O     0.00010   -0.04182   -1.39861
  6 O    -0.00003    0.00134    1.77767
  7 Pt   -0.00003    0.01686    0.47018
  8 Pt   -0.00009    0.05898    0.96116
  9 O    -1.58341    0.00415    0.05748
 10 O     1.58329    0.00429    0.05754
 11 O     0.00013    0.01544   -0.61870
 12 O    -0.00052   -0.32842   -0.12745
 13 Pt   -0.00070    0.40387   -0.28872
 14 Pt    0.00073   -0.02121    0.01728
 15 O     0.00354    0.00061    0.01463
 16 O    -0.00194   -0.00081    0.01274
 17 O     0.02240    0.18017   -1.10887
 18 O     0.00066   -0.00897    0.02854
 19 Pt    0.00049    0.01905    0.05082
 20 Pt   -0.00717   -0.52090    0.09029
 21 O    -0.33848    0.54356    0.37296
 22 O     0.34052    0.54282    0.37184
 23 O     0.00082    0.01029    0.00353
 24 O     0.00002   -0.00090    1.15330
 25 Pt   -0.00016    0.02724   -0.39114
 26 Pt    0.00001   -0.00111   -0.43493
 27 O    -1.69124    0.01329   -0.71812
 28 O     1.69127    0.01330   -0.71817
 29 O     0.00012    0.03644   -1.40028
 30 O    -0.00004   -0.00090    1.82877
 31 Pt   -0.00003    0.01095    0.53973
 32 Pt    0.00019   -0.12114    0.67498
 33 O    -1.60245   -0.01986    0.04535
 34 O     1.60231   -0.02000    0.04538
 35 O     0.00024   -0.01340   -0.69023
 36 O    -0.00074    0.25747    0.05880
 37 Pt   -0.00005   -0.17956   -0.06496
 38 Pt    0.00002    0.01471    0.04450
 39 O     0.05148    0.00242   -0.00332
 40 O    -0.05032    0.00394   -0.00502
 41 O     0.00040   -0.20026   -0.49425
 42 O    -0.00154   -0.03837    0.04714
 43 Pt    0.00145   -0.13135   -0.21562
 44 Pt   -0.00005    0.08546   -0.94291
 45 O    -0.08500   -0.14263    0.66495
 46 O     0.08604   -0.14543    0.66264
 47 O     0.00025    0.03076    0.10677
 48 O     0.00002    0.01911    1.17391
 49 Pt   -0.00009   -0.02521   -0.39041
 50 Pt    0.00001    0.02050   -0.44195
 51 O    -1.69143   -0.01369   -0.71904
 52 O     1.69148   -0.01370   -0.71904
 53 O     0.00015    0.00568   -1.41498
 54 O    -0.00004   -0.00208    1.78722
 55 Pt    0.00014   -0.02465    0.52761
 56 Pt    0.00006    0.06486    0.80543
 57 O    -1.61080    0.01368    0.07184
 58 O     1.61074    0.01365    0.07156
 59 O     0.00019   -0.01204   -0.59474
 60 O    -0.00025    0.02506   -0.32746
 61 Pt    0.00052   -0.12404   -0.24584
 62 Pt    0.00014   -0.00514    0.00644
 63 O     0.01937   -0.00979    0.01190
 64 O    -0.01938   -0.00967    0.01127
 65 O    -0.00022   -0.02280   -0.02478
 66 O    -0.00093    0.00085    0.00692
 67 Pt   -0.00013    0.09763   -0.10400
 68 Pt    0.00096   -0.00510   -0.10961
 69 O    -0.05186   -0.14841    0.63454
 70 O     0.04701   -0.14650    0.63419
 71 O     0.00045   -0.02429    0.01391
 72 N    -0.07808    0.80833   -1.53768
 73 N     0.26686    0.90030   -1.15746
 74 O    -0.16222   -1.77492    2.74931

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   NO                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
            O  O  OOPt   O         
       Pt  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      3.234805    2.236260   26.335497    ( 0.0000,  0.0000,  0.0000)
  73 N      3.234709    2.788608   25.330322    ( 0.0000,  0.0000,  0.0000)
  74 O      3.272928    3.402373   24.258935    ( 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  00:43:33  -2.22   +inf  -419.048875    34     1      
iter:   2  00:48:10  -2.21  -2.27  -428.254616    37     1      
iter:   3  00:52:47  -2.61  -1.69  -418.692059    4      1      
iter:   4  00:57:24  -3.15  -2.46  -418.600566    4      1      
iter:   5  01:02:01  -3.72  -2.81  -418.554643    3      1      
iter:   6  01:06:38  -3.78  -3.12  -418.538972    3      1      
iter:   7  01:11:15  -4.01  -3.44  -418.538181    3      1      
iter:   8  01:15:51  -4.17  -3.41  -418.537183    3      1      
iter:   9  01:20:29  -4.66  -3.31  -418.535167    3      1      
iter:  10  01:25:06  -4.88  -3.37  -418.535347    3      1      
iter:  11  01:29:41  -4.72  -3.55  -418.531347    3      1      
iter:  12  01:34:16  -4.70  -3.86  -418.531566    3      1      
iter:  13  01:38:51  -5.35  -3.92  -418.531186    3      1      
iter:  14  01:43:26  -5.73  -4.04  -418.531043    2      1      
iter:  15  01:48:01  -5.68  -4.05  -418.532093    3      1      
iter:  16  01:52:37  -5.57  -3.60  -418.530474    3      1      
iter:  17  01:57:12  -6.10  -4.18  -418.531361    2      1      
iter:  18  02:01:47  -6.35  -3.99  -418.530769    3      1      
iter:  19  02:06:24  -6.36  -4.30  -418.530820    3      1      
iter:  20  02:11:00  -6.33  -4.51  -418.530848    3      1      
iter:  21  02:15:36  -7.27  -4.70  -418.530778    2      1      
iter:  22  02:20:14  -6.99  -4.43  -418.530917    3      1      
iter:  23  02:24:49  -7.39  -4.69  -418.530680    2      1      
iter:  24  02:29:25  -7.53  -4.55  -418.530847    2      1      

Converged after 24 iterations.

Dipole moment: (-55.907087, -33.186856, 0.121526) |e|*Ang

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

Kinetic:        +19.613561
Potential:     -137.858218
External:        +0.000000
XC:            -310.483809
Entropy (-ST):   -1.629302
Local:          +11.012270
--------------------------
Free energy:   -419.345498
Extrapolated:  -418.530847

Fermi level: -6.43533

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.50025    0.14596
  0   343     -6.49767    0.14467
  0   344     -6.48746    0.13944
  0   345     -6.48609    0.13872

  1   342     -6.41052    0.19480
  1   343     -6.40776    0.19179
  1   344     -6.35686    0.13924
  1   345     -6.31919    0.10596



Forces in eV/Ang:
  0 O    -0.00001   -0.01817    1.17815
  1 Pt   -0.00014   -0.00187   -0.39046
  2 Pt   -0.00003   -0.01912   -0.44258
  3 O    -1.68285    0.00037   -0.71860
  4 O     1.68287    0.00037   -0.71864
  5 O     0.00010   -0.04183   -1.39861
  6 O    -0.00003    0.00137    1.77753
  7 Pt   -0.00003    0.01680    0.46962
  8 Pt   -0.00009    0.05895    0.96102
  9 O    -1.58293    0.00414    0.05735
 10 O     1.58282    0.00428    0.05741
 11 O     0.00014    0.01541   -0.61927
 12 O    -0.00052   -0.32852   -0.12739
 13 Pt   -0.00071    0.40326   -0.28877
 14 Pt    0.00073   -0.02125    0.01761
 15 O     0.00396    0.00059    0.01460
 16 O    -0.00237   -0.00083    0.01271
 17 O     0.02238    0.17996   -1.10715
 18 O     0.00066   -0.00861    0.02855
 19 Pt    0.00048    0.01927    0.05207
 20 Pt   -0.00720   -0.52127    0.09255
 21 O    -0.33803    0.54322    0.37345
 22 O     0.34008    0.54249    0.37235
 23 O     0.00085    0.01126    0.00536
 24 O     0.00002   -0.00090    1.15319
 25 Pt   -0.00016    0.02724   -0.39184
 26 Pt    0.00001   -0.00112   -0.43519
 27 O    -1.69115    0.01327   -0.71814
 28 O     1.69118    0.01328   -0.71819
 29 O     0.00012    0.03644   -1.40020
 30 O    -0.00004   -0.00094    1.82886
 31 Pt   -0.00003    0.01097    0.53908
 32 Pt    0.00019   -0.12124    0.67466
 33 O    -1.60201   -0.01982    0.04519
 34 O     1.60187   -0.01995    0.04523
 35 O     0.00024   -0.01340   -0.69079
 36 O    -0.00073    0.25697    0.05909
 37 Pt   -0.00006   -0.17863   -0.06479
 38 Pt    0.00002    0.01474    0.04476
 39 O     0.05192    0.00239   -0.00343
 40 O    -0.05076    0.00391   -0.00513
 41 O     0.00040   -0.20053   -0.49666
 42 O    -0.00154   -0.03861    0.04715
 43 Pt    0.00150   -0.13296   -0.21418
 44 Pt    0.00002    0.08557   -0.93559
 45 O    -0.08496   -0.14231    0.66760
 46 O     0.08598   -0.14509    0.66513
 47 O     0.00027    0.02991    0.11041
 48 O     0.00002    0.01912    1.17379
 49 Pt   -0.00009   -0.02523   -0.39114
 50 Pt    0.00001    0.02054   -0.44224
 51 O    -1.69133   -0.01368   -0.71906
 52 O     1.69138   -0.01369   -0.71906
 53 O     0.00015    0.00569   -1.41493
 54 O    -0.00004   -0.00206    1.78726
 55 Pt    0.00014   -0.02461    0.52702
 56 Pt    0.00006    0.06497    0.80525
 57 O    -1.61033    0.01365    0.07170
 58 O     1.61028    0.01363    0.07142
 59 O     0.00019   -0.01200   -0.59520
 60 O    -0.00025    0.02577   -0.32715
 61 Pt    0.00051   -0.12446   -0.24563
 62 Pt    0.00014   -0.00513    0.00647
 63 O     0.01975   -0.00975    0.01182
 64 O    -0.01976   -0.00963    0.01119
 65 O    -0.00022   -0.02270   -0.02521
 66 O    -0.00093    0.00064    0.00709
 67 Pt   -0.00013    0.09870   -0.10365
 68 Pt    0.00097   -0.00494   -0.10760
 69 O    -0.05190   -0.14860    0.63512
 70 O     0.04703   -0.14670    0.63481
 71 O     0.00046   -0.02455    0.01534
 72 N    -0.07786    0.51244   -0.98909
 73 N     0.27938    0.78576   -1.14046
 74 O    -0.17432   -1.31758    2.16709

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   NO                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
            O  O  OOPt   O         
       Pt  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      3.237488    2.236669   26.332201    ( 0.0000,  0.0000,  0.0000)
  73 N      3.236979    2.794174   25.330121    ( 0.0000,  0.0000,  0.0000)
  74 O      3.269088    3.416158   24.261504    ( 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  02:39:35  -3.21   +inf  -418.531881    3      1      
iter:   2  02:44:13  -3.80  -3.18  -418.708090    3      1      
iter:   3  02:48:51  -4.12  -2.46  -418.533226    2      1      
iter:   4  02:53:28  -4.64  -3.47  -418.527208    3      1      
iter:   5  02:58:05  -4.79  -3.81  -418.527372    2      1      
iter:   6  03:02:43  -5.31  -4.33  -418.527712    2      1      
iter:   7  03:07:22  -5.75  -4.20  -418.527458    2      1      
iter:   8  03:12:00  -5.99  -4.53  -418.527501    3      1      
iter:   9  03:16:38  -5.89  -4.22  -418.527871    3      1      
iter:  10  03:21:15  -6.20  -4.21  -418.527281    2      1      
iter:  11  03:25:51  -6.93  -4.63  -418.527388    2      1      
iter:  12  03:30:28  -7.29  -4.87  -418.527373    2      1      
iter:  13  03:35:05  -7.22  -4.99  -418.527462    2      1      
iter:  14  03:39:42  -7.33  -4.82  -418.527432    2      1      
iter:  15  03:44:19  -7.72  -4.96  -418.527423    2      1      

Converged after 15 iterations.

Dipole moment: (-55.906663, -33.187784, 0.125144) |e|*Ang

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

Kinetic:        +19.633329
Potential:     -137.895886
External:        +0.000000
XC:            -310.459102
Entropy (-ST):   -1.629384
Local:          +11.008928
--------------------------
Free energy:   -419.342115
Extrapolated:  -418.527423

Fermi level: -6.43234

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.49727    0.14597
  0   343     -6.49473    0.14469
  0   344     -6.48448    0.13944
  0   345     -6.48311    0.13873

  1   342     -6.40759    0.19486
  1   343     -6.40480    0.19182
  1   344     -6.35384    0.13922
  1   345     -6.31627    0.10601



Forces in eV/Ang:
  0 O    -0.00001   -0.01814    1.17900
  1 Pt   -0.00014   -0.00188   -0.38888
  2 Pt   -0.00003   -0.01910   -0.44074
  3 O    -1.68256    0.00036   -0.71779
  4 O     1.68258    0.00036   -0.71782
  5 O     0.00011   -0.04184   -1.39864
  6 O    -0.00003    0.00129    1.77817
  7 Pt   -0.00003    0.01687    0.47021
  8 Pt   -0.00009    0.05896    0.96148
  9 O    -1.58336    0.00418    0.05764
 10 O     1.58324    0.00431    0.05771
 11 O     0.00014    0.01543   -0.61870
 12 O    -0.00053   -0.32818   -0.12748
 13 Pt   -0.00069    0.40357   -0.28872
 14 Pt    0.00073   -0.02105    0.01690
 15 O     0.00351    0.00065    0.01468
 16 O    -0.00191   -0.00078    0.01279
 17 O     0.02246    0.18038   -1.10759
 18 O     0.00071   -0.00864    0.02863
 19 Pt    0.00050    0.01812    0.04611
 20 Pt   -0.00727   -0.52073    0.09057
 21 O    -0.33850    0.54298    0.36863
 22 O     0.34054    0.54233    0.36759
 23 O     0.00076    0.01062    0.00165
 24 O     0.00002   -0.00090    1.15404
 25 Pt   -0.00016    0.02723   -0.39030
 26 Pt    0.00001   -0.00110   -0.43341
 27 O    -1.69088    0.01329   -0.71733
 28 O     1.69091    0.01330   -0.71738
 29 O     0.00012    0.03646   -1.40036
 30 O    -0.00004   -0.00088    1.82923
 31 Pt   -0.00003    0.01094    0.53982
 32 Pt    0.00019   -0.12119    0.67531
 33 O    -1.60240   -0.01988    0.04558
 34 O     1.60226   -0.02001    0.04561
 35 O     0.00024   -0.01338   -0.69019
 36 O    -0.00074    0.25719    0.05875
 37 Pt   -0.00006   -0.17918   -0.06475
 38 Pt    0.00002    0.01458    0.04396
 39 O     0.05137    0.00240   -0.00324
 40 O    -0.05022    0.00392   -0.00493
 41 O     0.00041   -0.20074   -0.49592
 42 O    -0.00149   -0.03874    0.04734
 43 Pt    0.00155   -0.13192   -0.21977
 44 Pt    0.00026    0.08439   -0.93736
 45 O    -0.08509   -0.14231    0.66146
 46 O     0.08600   -0.14499    0.65903
 47 O     0.00038    0.03129    0.10698
 48 O     0.00002    0.01909    1.17466
 49 Pt   -0.00009   -0.02521   -0.38956
 50 Pt    0.00001    0.02051   -0.44040
 51 O    -1.69107   -0.01369   -0.71825
 52 O     1.69112   -0.01370   -0.71825
 53 O     0.00015    0.00567   -1.41501
 54 O    -0.00005   -0.00205    1.78768
 55 Pt    0.00014   -0.02465    0.52766
 56 Pt    0.00006    0.06493    0.80571
 57 O    -1.61074    0.01367    0.07203
 58 O     1.61068    0.01365    0.07175
 59 O     0.00019   -0.01204   -0.59483
 60 O    -0.00026    0.02514   -0.32729
 61 Pt    0.00050   -0.12418   -0.24625
 62 Pt    0.00013   -0.00516    0.00590
 63 O     0.01926   -0.00980    0.01182
 64 O    -0.01926   -0.00968    0.01119
 65 O    -0.00022   -0.02262   -0.02582
 66 O    -0.00093    0.00085    0.00711
 67 Pt   -0.00010    0.09893   -0.10751
 68 Pt    0.00099   -0.00480   -0.11436
 69 O    -0.05214   -0.14855    0.63206
 70 O     0.04722   -0.14677    0.63188
 71 O     0.00047   -0.02531    0.01186
 72 N    -0.04826    0.51191   -0.97147
 73 N     0.23132    0.87042   -1.22943
 74 O    -0.16618   -1.36242    2.26107

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   NO                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
            O  O  OOPt   O         
       Pt  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      3.245096    2.237784   26.326291    ( 0.0000,  0.0000,  0.0000)
  73 N      3.241901    2.809608   25.327258    ( 0.0000,  0.0000,  0.0000)
  74 O      3.259032    3.454267   24.268331    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:01:46  -2.35   +inf  -418.597454    4      1      
iter:   2  04:06:25  -2.80  -2.62  -420.903692    3      1      
iter:   3  04:11:02  -3.21  -1.93  -418.533228    3      1      
iter:   4  04:15:40  -3.85  -3.13  -418.518049    3      1      
iter:   5  04:20:18  -4.18  -3.30  -418.517408    3      1      
iter:   6  04:24:55  -4.39  -3.59  -418.515044    3      1      
iter:   7  04:29:33  -4.54  -3.56  -418.513513    3      1      
iter:   8  04:34:10  -4.86  -3.78  -418.512913    3      1      
iter:   9  04:38:47  -4.88  -4.02  -418.511970    3      1      
iter:  10  04:43:24  -5.40  -4.00  -418.513873    3      1      
iter:  11  04:48:01  -5.62  -3.83  -418.512140    3      1      
iter:  12  04:52:39  -5.88  -4.15  -418.512286    3      1      
iter:  13  04:57:16  -6.26  -3.88  -418.512268    2      1      
iter:  14  05:01:53  -6.16  -4.30  -418.512305    2      1      
iter:  15  05:06:31  -6.15  -4.40  -418.512467    2      1      
iter:  16  05:11:08  -6.70  -4.45  -418.512073    2      1      
iter:  17  05:15:44  -7.17  -4.36  -418.512380    2      1      
iter:  18  05:20:20  -7.57  -4.78  -418.512363    2      1      

Converged after 18 iterations.

Dipole moment: (-55.905746, -33.186746, 0.126169) |e|*Ang

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

Kinetic:        +18.907802
Potential:     -137.343476
External:        +0.000000
XC:            -310.267645
Entropy (-ST):   -1.629301
Local:          +11.005607
--------------------------
Free energy:   -419.327013
Extrapolated:  -418.512363

Fermi level: -6.43112

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.49581    0.14585
  0   343     -6.49346    0.14467
  0   344     -6.48368    0.13966
  0   345     -6.48207    0.13882

  1   342     -6.40643    0.19494
  1   343     -6.40335    0.19157
  1   344     -6.35287    0.13946
  1   345     -6.31518    0.10613



Forces in eV/Ang:
  0 O    -0.00001   -0.01813    1.17929
  1 Pt   -0.00014   -0.00193   -0.38849
  2 Pt   -0.00003   -0.01909   -0.44102
  3 O    -1.68087    0.00036   -0.71765
  4 O     1.68090    0.00035   -0.71768
  5 O     0.00011   -0.04184   -1.39926
  6 O    -0.00004    0.00131    1.78315
  7 Pt   -0.00002    0.01684    0.47208
  8 Pt   -0.00009    0.05901    0.96232
  9 O    -1.58290    0.00415    0.05792
 10 O     1.58278    0.00428    0.05798
 11 O     0.00014    0.01542   -0.61849
 12 O    -0.00053   -0.32808   -0.12714
 13 Pt   -0.00066    0.40499   -0.28593
 14 Pt    0.00074   -0.02099    0.01923
 15 O     0.00354    0.00066    0.01506
 16 O    -0.00195   -0.00078    0.01316
 17 O     0.02241    0.18104   -1.10385
 18 O     0.00073   -0.00850    0.02797
 19 Pt    0.00051    0.01743    0.04435
 20 Pt   -0.00755   -0.52204    0.09089
 21 O    -0.34011    0.54363    0.36614
 22 O     0.34218    0.54302    0.36503
 23 O     0.00038    0.01095   -0.00003
 24 O     0.00002   -0.00090    1.15433
 25 Pt   -0.00016    0.02726   -0.38992
 26 Pt    0.00001   -0.00111   -0.43370
 27 O    -1.68920    0.01328   -0.71718
 28 O     1.68923    0.01329   -0.71723
 29 O     0.00012    0.03638   -1.40099
 30 O    -0.00004   -0.00094    1.83434
 31 Pt   -0.00003    0.01097    0.54163
 32 Pt    0.00018   -0.12109    0.67623
 33 O    -1.60195   -0.01989    0.04582
 34 O     1.60181   -0.02002    0.04585
 35 O     0.00024   -0.01342   -0.69002
 36 O    -0.00074    0.25779    0.05898
 37 Pt   -0.00007   -0.18053   -0.06126
 38 Pt    0.00003    0.01449    0.04623
 39 O     0.05120    0.00239   -0.00221
 40 O    -0.05004    0.00392   -0.00390
 41 O     0.00041   -0.20038   -0.48253
 42 O    -0.00148   -0.03875    0.04668
 43 Pt    0.00171   -0.13072   -0.22334
 44 Pt    0.00076    0.08384   -0.94064
 45 O    -0.08610   -0.14294    0.65797
 46 O     0.08697   -0.14553    0.65541
 47 O     0.00037    0.03142    0.10440
 48 O     0.00002    0.01910    1.17495
 49 Pt   -0.00009   -0.02520   -0.38918
 50 Pt    0.00001    0.02051   -0.44070
 51 O    -1.68938   -0.01368   -0.71812
 52 O     1.68943   -0.01369   -0.71812
 53 O     0.00015    0.00575   -1.41569
 54 O    -0.00005   -0.00200    1.79278
 55 Pt    0.00014   -0.02465    0.52954
 56 Pt    0.00006    0.06477    0.80675
 57 O    -1.61030    0.01370    0.07227
 58 O     1.61024    0.01367    0.07200
 59 O     0.00020   -0.01199   -0.59452
 60 O    -0.00026    0.02431   -0.32721
 61 Pt    0.00047   -0.12420   -0.24310
 62 Pt    0.00014   -0.00515    0.00786
 63 O     0.01923   -0.00979    0.01236
 64 O    -0.01923   -0.00967    0.01172
 65 O    -0.00021   -0.02271   -0.01748
 66 O    -0.00092    0.00080    0.00637
 67 Pt   -0.00010    0.09881   -0.10857
 68 Pt    0.00092   -0.00520   -0.11812
 69 O    -0.05346   -0.14847    0.63001
 70 O     0.04850   -0.14675    0.62985
 71 O     0.00047   -0.02557    0.00917
 72 N    -0.00271    0.72026   -1.35094
 73 N     0.11642    0.81758   -0.95932
 74 O    -0.10100   -1.49751    2.34976

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   NO                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
            O  O  OOPt   O         
       Pt  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      3.253284    2.239408   26.319336    ( 0.0000,  0.0000,  0.0000)
  73 N      3.245055    2.826067   25.325549    ( 0.0000,  0.0000,  0.0000)
  74 O      3.249689    3.492654   24.274587    ( 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  05:30:30  -2.32   +inf  -418.953882    4      1      
iter:   2  05:35:09  -2.22  -2.26  -429.961277    3      1      
iter:   3  05:39:47  -2.65  -1.64  -418.582568    4      1      
iter:   4  05:44:25  -3.21  -2.60  -418.511090    3      1      
iter:   5  05:49:02  -3.77  -3.18  -418.496439    3      1      
iter:   6  05:53:39  -4.16  -3.30  -418.494978    3      1      
iter:   7  05:58:16  -4.46  -3.51  -418.494401    3      1      
iter:   8  06:02:53  -4.77  -3.62  -418.493105    3      1      
iter:   9  06:07:31  -4.95  -3.85  -418.492882    3      1      
iter:  10  06:12:09  -5.01  -3.74  -418.495191    3      1      
iter:  11  06:16:45  -5.21  -3.41  -418.491667    3      1      
iter:  12  06:21:23  -5.72  -4.05  -418.492211    3      1      
iter:  13  06:26:00  -6.07  -4.18  -418.491762    2      1      
iter:  14  06:30:37  -6.38  -4.20  -418.492022    2      1      
iter:  15  06:35:13  -6.39  -4.41  -418.492037    2      1      
iter:  16  06:39:51  -6.34  -4.50  -418.492046    2      1      
iter:  17  06:44:29  -6.87  -4.09  -418.492280    2      1      
iter:  18  06:49:05  -6.96  -4.50  -418.491961    2      1      
iter:  19  06:53:40  -7.47  -4.74  -418.492059    2      1      

Converged after 19 iterations.

Dipole moment: (-55.905269, -33.186796, 0.130431) |e|*Ang

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

Kinetic:        +18.162921
Potential:     -136.761845
External:        +0.000000
XC:            -310.079690
Entropy (-ST):   -1.629399
Local:          +11.001256
--------------------------
Free energy:   -419.306758
Extrapolated:  -418.492059

Fermi level: -6.42787

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.49277    0.14595
  0   343     -6.49038    0.14475
  0   344     -6.48009    0.13948
  0   345     -6.47872    0.13877

  1   342     -6.40308    0.19482
  1   343     -6.40027    0.19175
  1   344     -6.34938    0.13924
  1   345     -6.31205    0.10623



Forces in eV/Ang:
  0 O    -0.00001   -0.01811    1.18057
  1 Pt   -0.00014   -0.00196   -0.38801
  2 Pt   -0.00003   -0.01908   -0.44065
  3 O    -1.68281    0.00034   -0.71749
  4 O     1.68284    0.00034   -0.71753
  5 O     0.00011   -0.04183   -1.39915
  6 O    -0.00004    0.00130    1.77855
  7 Pt   -0.00002    0.01683    0.47011
  8 Pt   -0.00009    0.05895    0.96032
  9 O    -1.58358    0.00411    0.05740
 10 O     1.58347    0.00424    0.05747
 11 O     0.00014    0.01544   -0.61891
 12 O    -0.00052   -0.32835   -0.12756
 13 Pt   -0.00062    0.40630   -0.28789
 14 Pt    0.00074   -0.02114    0.01779
 15 O     0.00369    0.00062    0.01453
 16 O    -0.00211   -0.00082    0.01263
 17 O     0.02246    0.18184   -1.11281
 18 O     0.00073   -0.00880    0.02850
 19 Pt    0.00046    0.01707    0.04491
 20 Pt   -0.00785   -0.52399    0.09676
 21 O    -0.33954    0.54389    0.36507
 22 O     0.34168    0.54326    0.36390
 23 O     0.00001    0.01113    0.00160
 24 O     0.00002   -0.00091    1.15561
 25 Pt   -0.00016    0.02727   -0.38946
 26 Pt    0.00001   -0.00112   -0.43338
 27 O    -1.69115    0.01329   -0.71705
 28 O     1.69118    0.01330   -0.71709
 29 O     0.00012    0.03633   -1.40093
 30 O    -0.00004   -0.00097    1.82966
 31 Pt   -0.00003    0.01098    0.53968
 32 Pt    0.00018   -0.12089    0.67447
 33 O    -1.60255   -0.01987    0.04530
 34 O     1.60240   -0.02001    0.04534
 35 O     0.00024   -0.01344   -0.69043
 36 O    -0.00074    0.25824    0.05821
 37 Pt   -0.00006   -0.18204   -0.06434
 38 Pt    0.00002    0.01464    0.04482
 39 O     0.05156    0.00246   -0.00317
 40 O    -0.05040    0.00400   -0.00487
 41 O     0.00039   -0.20050   -0.49045
 42 O    -0.00150   -0.03849    0.04698
 43 Pt    0.00188   -0.12979   -0.22184
 44 Pt    0.00112    0.08307   -0.94067
 45 O    -0.08562   -0.14401    0.66224
 46 O     0.08657   -0.14655    0.65936
 47 O     0.00018    0.03108    0.10454
 48 O     0.00002    0.01909    1.17622
 49 Pt   -0.00009   -0.02519   -0.38874
 50 Pt    0.00001    0.02050   -0.44036
 51 O    -1.69132   -0.01367   -0.71797
 52 O     1.69137   -0.01368   -0.71797
 53 O     0.00015    0.00577   -1.41564
 54 O    -0.00005   -0.00197    1.78814
 55 Pt    0.00014   -0.02464    0.52760
 56 Pt    0.00006    0.06465    0.80487
 57 O    -1.61098    0.01372    0.07176
 58 O     1.61092    0.01369    0.07148
 59 O     0.00020   -0.01201   -0.59502
 60 O    -0.00026    0.02399   -0.32820
 61 Pt    0.00045   -0.12392   -0.24596
 62 Pt    0.00013   -0.00516    0.00656
 63 O     0.01925   -0.00981    0.01179
 64 O    -0.01925   -0.00970    0.01116
 65 O    -0.00021   -0.02257   -0.02319
 66 O    -0.00090    0.00082    0.00671
 67 Pt   -0.00019    0.09862   -0.10843
 68 Pt    0.00088   -0.00532   -0.11646
 69 O    -0.05283   -0.14789    0.62909
 70 O     0.04789   -0.14612    0.62890
 71 O     0.00046   -0.02515    0.00968
 72 N    -0.04973    0.88391   -1.56712
 73 N     0.10853    0.81081   -0.80377
 74 O    -0.05188   -1.63991    2.56133

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O    O                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
            O  O  OOPt   O         
       Pt  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      3.254961    2.253470   26.328242    ( 0.0000,  0.0000,  0.0000)
  73 N      3.244109    2.831438   25.331372    ( 0.0000,  0.0000,  0.0000)
  74 O      3.245843    3.486187   24.280332    ( 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  07:03:51  -3.04   +inf  -418.569585    4      1      
iter:   2  07:08:30  -3.24  -2.78  -419.501944    4      1      
iter:   3  07:13:07  -3.51  -2.11  -418.531118    3      1      
iter:   4  07:17:45  -4.04  -2.92  -418.521083    3      1      
iter:   5  07:22:22  -4.70  -3.46  -418.515910    3      1      
iter:   6  07:27:00  -4.64  -3.62  -418.513484    3      1      
iter:   7  07:31:38  -5.04  -3.86  -418.514438    3      1      
iter:   8  07:36:15  -5.01  -3.75  -418.514053    3      1      
iter:   9  07:40:54  -5.25  -4.07  -418.513956    3      1      
iter:  10  07:45:33  -5.44  -3.77  -418.514715    3      1      
iter:  11  07:50:10  -5.65  -3.99  -418.513197    3      1      
iter:  12  07:54:47  -5.83  -3.96  -418.513652    3      1      
iter:  13  07:59:24  -6.31  -4.31  -418.513582    2      1      
iter:  14  08:04:01  -6.48  -4.47  -418.513537    2      1      
iter:  15  08:08:38  -6.73  -4.39  -418.513561    2      1      
iter:  16  08:13:15  -6.93  -4.70  -418.513390    2      1      
iter:  17  08:17:51  -7.57  -4.65  -418.513612    2      1      

Converged after 17 iterations.

Dipole moment: (-55.905418, -33.177113, 0.107706) |e|*Ang

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

Kinetic:        +18.795672
Potential:     -137.247317
External:        +0.000000
XC:            -310.263877
Entropy (-ST):   -1.629259
Local:          +11.016538
--------------------------
Free energy:   -419.328242
Extrapolated:  -418.513612

Fermi level: -6.44755

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.51270    0.14607
  0   343     -6.51008    0.14476
  0   344     -6.49936    0.13927
  0   345     -6.49822    0.13867

  1   342     -6.42248    0.19452
  1   343     -6.42001    0.19181
  1   344     -6.36890    0.13908
  1   345     -6.33163    0.10614



Forces in eV/Ang:
  0 O    -0.00001   -0.01814    1.17940
  1 Pt   -0.00014   -0.00193   -0.39081
  2 Pt   -0.00003   -0.01910   -0.44346
  3 O    -1.68438    0.00036   -0.71858
  4 O     1.68441    0.00036   -0.71861
  5 O     0.00011   -0.04182   -1.39816
  6 O    -0.00004    0.00140    1.77127
  7 Pt   -0.00002    0.01679    0.46767
  8 Pt   -0.00009    0.05897    0.95929
  9 O    -1.58344    0.00416    0.05720
 10 O     1.58333    0.00429    0.05726
 11 O     0.00014    0.01546   -0.61929
 12 O    -0.00052   -0.32882   -0.12664
 13 Pt   -0.00060    0.40596   -0.28993
 14 Pt    0.00073   -0.02136    0.01720
 15 O     0.00396    0.00059    0.01454
 16 O    -0.00237   -0.00084    0.01265
 17 O     0.02251    0.18200   -1.12162
 18 O     0.00071   -0.00857    0.02998
 19 Pt    0.00039    0.01809    0.05090
 20 Pt   -0.00788   -0.52597    0.09525
 21 O    -0.33767    0.54380    0.37215
 22 O     0.33985    0.54311    0.37093
 23 O    -0.00017    0.01058    0.00011
 24 O     0.00002   -0.00089    1.15445
 25 Pt   -0.00016    0.02727   -0.39221
 26 Pt    0.00001   -0.00110   -0.43615
 27 O    -1.69269    0.01329   -0.71811
 28 O     1.69272    0.01330   -0.71816
 29 O     0.00012    0.03633   -1.39991
 30 O    -0.00004   -0.00097    1.82244
 31 Pt   -0.00003    0.01101    0.53718
 32 Pt    0.00018   -0.12091    0.67331
 33 O    -1.60248   -0.01985    0.04508
 34 O     1.60233   -0.01998    0.04512
 35 O     0.00024   -0.01342   -0.69071
 36 O    -0.00074    0.25838    0.05912
 37 Pt   -0.00005   -0.18187   -0.06679
 38 Pt    0.00001    0.01487    0.04428
 39 O     0.05222    0.00252   -0.00385
 40 O    -0.05106    0.00406   -0.00555
 41 O     0.00038   -0.20063   -0.50119
 42 O    -0.00153   -0.03856    0.04837
 43 Pt    0.00189   -0.13064   -0.21792
 44 Pt    0.00120    0.08497   -0.94576
 45 O    -0.08371   -0.14359    0.66746
 46 O     0.08476   -0.14617    0.66424
 47 O    -0.00005    0.03117    0.10300
 48 O     0.00002    0.01911    1.17506
 49 Pt   -0.00009   -0.02522   -0.39151
 50 Pt    0.00001    0.02050   -0.44316
 51 O    -1.69289   -0.01369   -0.71903
 52 O     1.69294   -0.01370   -0.71903
 53 O     0.00015    0.00576   -1.41470
 54 O    -0.00005   -0.00206    1.78091
 55 Pt    0.00014   -0.02464    0.52510
 56 Pt    0.00006    0.06464    0.80387
 57 O    -1.61084    0.01364    0.07152
 58 O     1.61078    0.01362    0.07125
 59 O     0.00020   -0.01205   -0.59526
 60 O    -0.00027    0.02422   -0.32767
 61 Pt    0.00045   -0.12374   -0.24771
 62 Pt    0.00013   -0.00520    0.00613
 63 O     0.01965   -0.00983    0.01177
 64 O    -0.01965   -0.00971    0.01114
 65 O    -0.00021   -0.02278   -0.02948
 66 O    -0.00087    0.00053    0.00837
 67 Pt   -0.00028    0.09843   -0.10453
 68 Pt    0.00087   -0.00503   -0.10976
 69 O    -0.05104   -0.14781    0.63418
 70 O     0.04613   -0.14591    0.63389
 71 O     0.00045   -0.02461    0.01029
 72 N    -0.07819    0.80126   -1.45942
 73 N     0.12142    0.75219   -0.79300
 74 O    -0.04817   -1.54113    2.32510

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O    O                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
            O  O  OOPt   O         
       Pt  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      3.257776    2.287577   26.348949    ( 0.0000,  0.0000,  0.0000)
  73 N      3.240933    2.843680   25.346033    ( 0.0000,  0.0000,  0.0000)
  74 O      3.237584    3.466726   24.292043    ( 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  08:28:02  -2.26   +inf  -419.430348    35     1      
iter:   2  08:32:40  -1.97  -2.14  -436.110430    36     1      
iter:   3  08:37:17  -2.40  -1.56  -418.809171    37     1      
iter:   4  08:41:55  -2.90  -2.41  -418.617169    4      1      
iter:   5  08:46:34  -3.61  -2.86  -418.579733    3      1      
iter:   6  08:51:11  -3.84  -3.08  -418.581401    2      1      
iter:   7  08:55:49  -3.93  -2.94  -418.561815    3      1      
iter:   8  09:00:27  -4.33  -3.52  -418.561047    3      1      
iter:   9  09:05:05  -4.35  -3.59  -418.558373    3      1      
iter:  10  09:09:42  -4.53  -3.61  -418.558222    3      1      
iter:  11  09:14:20  -5.11  -3.72  -418.554614    3      1      
iter:  12  09:18:57  -5.01  -3.56  -418.558801    3      1      
iter:  13  09:23:35  -4.89  -3.35  -418.555613    3      1      
iter:  14  09:28:12  -5.55  -3.96  -418.555312    3      1      
iter:  15  09:32:49  -5.79  -4.04  -418.555255    2      1      
iter:  16  09:37:25  -5.88  -4.18  -418.554856    2      1      
iter:  17  09:42:02  -6.00  -4.11  -418.555478    2      1      
iter:  18  09:46:39  -6.41  -4.13  -418.555023    2      1      
iter:  19  09:51:14  -6.73  -4.03  -418.555053    3      1      
iter:  20  09:55:49  -6.38  -4.32  -418.555031    3      1      
iter:  21  10:00:25  -6.37  -4.35  -418.555039    3      1      
iter:  22  10:05:00  -6.60  -4.47  -418.555058    3      1      
iter:  23  10:09:35  -6.82  -4.97  -418.555151    2      1      
iter:  24  10:14:11  -7.38  -4.89  -418.555085    2      1      
iter:  25  10:18:46  -8.04  -5.01  -418.555082    2      1      

Converged after 25 iterations.

Dipole moment: (-55.905844, -33.171471, 0.100071) |e|*Ang

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

Kinetic:        +20.557652
Potential:     -138.593778
External:        +0.000000
XC:            -310.716349
Entropy (-ST):   -1.629426
Local:          +11.012105
--------------------------
Free energy:   -419.369795
Extrapolated:  -418.555082

Fermi level: -6.45348

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.51847    0.14600
  0   343     -6.51597    0.14474
  0   344     -6.50550    0.13938
  0   345     -6.50422    0.13871

  1   342     -6.42864    0.19476
  1   343     -6.42597    0.19184
  1   344     -6.37489    0.13914
  1   345     -6.33759    0.10616



Forces in eV/Ang:
  0 O    -0.00001   -0.01816    1.17856
  1 Pt   -0.00014   -0.00193   -0.38972
  2 Pt   -0.00003   -0.01909   -0.44172
  3 O    -1.68340    0.00035   -0.71768
  4 O     1.68343    0.00035   -0.71771
  5 O     0.00011   -0.04182   -1.39808
  6 O    -0.00004    0.00133    1.77580
  7 Pt   -0.00002    0.01681    0.46955
  8 Pt   -0.00009    0.05890    0.96043
  9 O    -1.58354    0.00415    0.05722
 10 O     1.58343    0.00429    0.05729
 11 O     0.00014    0.01541   -0.61906
 12 O    -0.00052   -0.32862   -0.12747
 13 Pt   -0.00058    0.40611   -0.28896
 14 Pt    0.00073   -0.02119    0.01760
 15 O     0.00343    0.00058    0.01471
 16 O    -0.00185   -0.00086    0.01282
 17 O     0.02249    0.18232   -1.11637
 18 O     0.00069   -0.00891    0.02887
 19 Pt    0.00035    0.01787    0.05176
 20 Pt   -0.00817   -0.52729    0.10268
 21 O    -0.33913    0.54436    0.36943
 22 O     0.34135    0.54372    0.36823
 23 O    -0.00026    0.01249    0.00602
 24 O     0.00002   -0.00089    1.15360
 25 Pt   -0.00015    0.02725   -0.39112
 26 Pt    0.00001   -0.00109   -0.43447
 27 O    -1.69172    0.01331   -0.71722
 28 O     1.69175    0.01332   -0.71727
 29 O     0.00012    0.03632   -1.39980
 30 O    -0.00004   -0.00098    1.82683
 31 Pt   -0.00003    0.01100    0.53907
 32 Pt    0.00018   -0.12091    0.67456
 33 O    -1.60256   -0.01988    0.04507
 34 O     1.60241   -0.02001    0.04511
 35 O     0.00024   -0.01341   -0.69046
 36 O    -0.00073    0.25798    0.05849
 37 Pt   -0.00004   -0.18165   -0.06542
 38 Pt    0.00001    0.01480    0.04471
 39 O     0.05149    0.00246   -0.00326
 40 O    -0.05033    0.00401   -0.00494
 41 O     0.00040   -0.20077   -0.49760
 42 O    -0.00156   -0.03838    0.04729
 43 Pt    0.00225   -0.13156   -0.21572
 44 Pt    0.00114    0.08462   -0.93598
 45 O    -0.08562   -0.14387    0.67075
 46 O     0.08667   -0.14641    0.66741
 47 O    -0.00008    0.02927    0.11032
 48 O     0.00002    0.01912    1.17421
 49 Pt   -0.00009   -0.02520   -0.39046
 50 Pt    0.00001    0.02048   -0.44146
 51 O    -1.69193   -0.01370   -0.71814
 52 O     1.69198   -0.01371   -0.71814
 53 O     0.00015    0.00577   -1.41456
 54 O    -0.00005   -0.00198    1.78534
 55 Pt    0.00014   -0.02464    0.52702
 56 Pt    0.00005    0.06471    0.80511
 57 O    -1.61092    0.01367    0.07156
 58 O     1.61086    0.01365    0.07128
 59 O     0.00020   -0.01200   -0.59500
 60 O    -0.00026    0.02447   -0.32796
 61 Pt    0.00045   -0.12423   -0.24672
 62 Pt    0.00013   -0.00529    0.00642
 63 O     0.01908   -0.00977    0.01201
 64 O    -0.01908   -0.00966    0.01139
 65 O    -0.00021   -0.02281   -0.02727
 66 O    -0.00086    0.00067    0.00734
 67 Pt   -0.00028    0.09949   -0.10458
 68 Pt    0.00086   -0.00433   -0.10964
 69 O    -0.05215   -0.14841    0.63204
 70 O     0.04727   -0.14653    0.63179
 71 O     0.00045   -0.02470    0.01293
 72 N    -0.05281    0.42160   -0.91865
 73 N     0.11921    0.57710   -0.64609
 74 O    -0.04097   -1.11334    1.64796

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O    O                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO Pt   O             
            O  O  OOPt   O         
       Pt  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      3.263306    2.301488   26.353257    ( 0.0000,  0.0000,  0.0000)
  73 N      3.241068    2.858922   25.352724    ( 0.0000,  0.0000,  0.0000)
  74 O      3.229260    3.481371   24.300610    ( 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  10:28:55  -2.76   +inf  -418.592072    4      1      
iter:   2  10:33:33  -3.26  -2.87  -419.372831    3      1      
iter:   3  10:38:10  -3.65  -2.14  -418.560323    3      1      
iter:   4  10:42:46  -4.26  -3.21  -418.562529    3      1      
iter:   5  10:47:23  -4.84  -3.73  -418.560254    3      1      
iter:   6  10:52:00  -4.69  -3.86  -418.558823    3      1      
iter:   7  10:56:37  -4.88  -3.98  -418.559780    3      1      
iter:   8  11:01:14  -5.17  -3.89  -418.559363    3      1      
iter:   9  11:05:50  -5.72  -4.21  -418.559213    3      1      
iter:  10  11:10:26  -5.85  -4.20  -418.559668    2      1      
iter:  11  11:15:04  -6.10  -4.27  -418.558997    3      1      
iter:  12  11:19:40  -6.35  -4.25  -418.559283    2      1      
iter:  13  11:24:16  -6.47  -4.58  -418.559235    2      1      
iter:  14  11:28:52  -6.72  -4.70  -418.559205    2      1      
iter:  15  11:33:29  -7.31  -4.45  -418.559312    2      1      
iter:  16  11:38:05  -7.42  -4.67  -418.559132    2      1      

Converged after 16 iterations.

Dipole moment: (-55.906016, -33.167840, 0.093221) |e|*Ang

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

Kinetic:        +20.934367
Potential:     -138.896320
External:        +0.000000
XC:            -310.796419
Entropy (-ST):   -1.629533
Local:          +11.014007
--------------------------
Free energy:   -419.373898
Extrapolated:  -418.559132

Fermi level: -6.45911

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.52404    0.14597
  0   343     -6.52158    0.14473
  0   344     -6.51112    0.13937
  0   345     -6.50984    0.13871

  1   342     -6.43430    0.19480
  1   343     -6.43158    0.19183
  1   344     -6.38051    0.13913
  1   345     -6.34326    0.10620



Forces in eV/Ang:
  0 O    -0.00001   -0.01816    1.17921
  1 Pt   -0.00014   -0.00192   -0.38976
  2 Pt   -0.00002   -0.01913   -0.44188
  3 O    -1.68255    0.00036   -0.71823
  4 O     1.68258    0.00036   -0.71826
  5 O     0.00011   -0.04181   -1.39817
  6 O    -0.00004    0.00139    1.77752
  7 Pt   -0.00003    0.01680    0.46970
  8 Pt   -0.00009    0.05897    0.96097
  9 O    -1.58345    0.00418    0.05759
 10 O     1.58333    0.00431    0.05765
 11 O     0.00014    0.01544   -0.61920
 12 O    -0.00052   -0.32846   -0.12679
 13 Pt   -0.00056    0.40646   -0.28937
 14 Pt    0.00073   -0.02127    0.01711
 15 O     0.00366    0.00065    0.01439
 16 O    -0.00208   -0.00080    0.01249
 17 O     0.02248    0.18255   -1.12007
 18 O     0.00073   -0.00835    0.02899
 19 Pt    0.00029    0.01754    0.05003
 20 Pt   -0.00829   -0.52858    0.09955
 21 O    -0.33813    0.54395    0.37066
 22 O     0.34035    0.54333    0.36951
 23 O    -0.00057    0.01196    0.00233
 24 O     0.00002   -0.00088    1.15425
 25 Pt   -0.00015    0.02725   -0.39112
 26 Pt    0.00001   -0.00109   -0.43454
 27 O    -1.69085    0.01328   -0.71777
 28 O     1.69088    0.01329   -0.71781
 29 O     0.00012    0.03631   -1.39985
 30 O    -0.00004   -0.00092    1.82879
 31 Pt   -0.00003    0.01101    0.53925
 32 Pt    0.00018   -0.12082    0.67506
 33 O    -1.60250   -0.01987    0.04548
 34 O     1.60236   -0.02000    0.04552
 35 O     0.00024   -0.01340   -0.69069
 36 O    -0.00073    0.25827    0.05898
 37 Pt   -0.00003   -0.18225   -0.06618
 38 Pt    0.00001    0.01471    0.04401
 39 O     0.05173    0.00239   -0.00370
 40 O    -0.05057    0.00393   -0.00538
 41 O     0.00036   -0.20061   -0.49768
 42 O    -0.00151   -0.03868    0.04724
 43 Pt    0.00230   -0.13146   -0.21941
 44 Pt    0.00165    0.08466   -0.93928
 45 O    -0.08433   -0.14384    0.66872
 46 O     0.08536   -0.14629    0.66468
 47 O    -0.00035    0.03045    0.10684
 48 O     0.00002    0.01912    1.17486
 49 Pt   -0.00009   -0.02521   -0.39043
 50 Pt    0.00001    0.02052   -0.44158
 51 O    -1.69105   -0.01368   -0.71868
 52 O     1.69110   -0.01369   -0.71868
 53 O     0.00015    0.00577   -1.41465
 54 O    -0.00005   -0.00210    1.78713
 55 Pt    0.00014   -0.02464    0.52714
 56 Pt    0.00005    0.06455    0.80561
 57 O    -1.61086    0.01364    0.07191
 58 O     1.61080    0.01361    0.07164
 59 O     0.00020   -0.01204   -0.59525
 60 O    -0.00026    0.02396   -0.32747
 61 Pt    0.00045   -0.12397   -0.24732
 62 Pt    0.00013   -0.00514    0.00592
 63 O     0.01941   -0.00975    0.01157
 64 O    -0.01941   -0.00964    0.01094
 65 O    -0.00022   -0.02272   -0.02732
 66 O    -0.00086    0.00040    0.00747
 67 Pt   -0.00035    0.09988   -0.10543
 68 Pt    0.00090   -0.00468   -0.11046
 69 O    -0.05140   -0.14798    0.63382
 70 O     0.04647   -0.14618    0.63362
 71 O     0.00046   -0.02526    0.01109
 72 N    -0.02111    0.39661   -0.80289
 73 N     0.05232    0.61083   -0.63609
 74 O    -0.05456   -0.97703    1.55684

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O    O                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO      O             
            O  OPtOOPt   O         
       Pt  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      3.271627    2.322142   26.359888    ( 0.0000,  0.0000,  0.0000)
  73 N      3.240326    2.881960   25.362358    ( 0.0000,  0.0000,  0.0000)
  74 O      3.216782    3.503988   24.313485    ( 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  11:48:16  -2.41   +inf  -418.606880    4      1      
iter:   2  11:52:55  -3.06  -2.84  -419.382752    4      1      
iter:   3  11:57:33  -3.46  -2.14  -418.575166    3      1      
iter:   4  12:02:14  -3.99  -2.99  -418.569850    3      1      
iter:   5  12:06:51  -4.57  -3.60  -418.566931    3      1      
iter:   6  12:11:28  -4.36  -3.72  -418.564345    3      1      
iter:   7  12:16:05  -4.64  -3.83  -418.565539    3      1      
iter:   8  12:20:44  -4.86  -3.77  -418.564886    3      1      
iter:   9  12:25:21  -5.35  -4.20  -418.564737    3      1      
iter:  10  12:29:59  -5.41  -4.01  -418.565328    2      1      
iter:  11  12:34:38  -5.75  -4.13  -418.564295    3      1      
iter:  12  12:39:16  -6.14  -3.98  -418.564774    3      1      
iter:  13  12:43:54  -6.27  -4.38  -418.564697    2      1      
iter:  14  12:48:33  -6.43  -4.59  -418.564657    2      1      
iter:  15  12:53:10  -6.91  -4.40  -418.564746    2      1      
iter:  16  12:57:46  -7.11  -4.69  -418.564562    2      1      
iter:  17  13:02:22  -7.38  -4.72  -418.564743    2      1      
iter:  18  13:06:59  -7.25  -4.60  -418.564564    2      1      
iter:  19  13:11:34  -7.04  -4.55  -418.564647    2      1      
iter:  20  13:16:10  -7.06  -4.86  -418.564669    2      1      
iter:  21  13:20:46  -7.30  -4.77  -418.564576    2      1      
iter:  22  13:25:23  -7.59  -4.76  -418.564654    2      1      

Converged after 22 iterations.

Dipole moment: (-55.906318, -33.163635, 0.091285) |e|*Ang

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

Kinetic:        +21.360060
Potential:     -139.233233
External:        +0.000000
XC:            -310.893580
Entropy (-ST):   -1.629395
Local:          +11.016797
--------------------------
Free energy:   -419.379351
Extrapolated:  -418.564654

Fermi level: -6.46089

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.52588    0.14600
  0   343     -6.52337    0.14474
  0   344     -6.51288    0.13936
  0   345     -6.51162    0.13870

  1   342     -6.43596    0.19467
  1   343     -6.43334    0.19181
  1   344     -6.38229    0.13912
  1   345     -6.34509    0.10624



Forces in eV/Ang:
  0 O    -0.00001   -0.01815    1.17944
  1 Pt   -0.00014   -0.00192   -0.38997
  2 Pt   -0.00002   -0.01911   -0.44169
  3 O    -1.68324    0.00036   -0.71796
  4 O     1.68327    0.00036   -0.71799
  5 O     0.00011   -0.04179   -1.39826
  6 O    -0.00004    0.00138    1.77584
  7 Pt   -0.00003    0.01682    0.46965
  8 Pt   -0.00009    0.05894    0.96072
  9 O    -1.58346    0.00418    0.05751
 10 O     1.58334    0.00431    0.05757
 11 O     0.00014    0.01542   -0.61918
 12 O    -0.00052   -0.32840   -0.12701
 13 Pt   -0.00052    0.40738   -0.28961
 14 Pt    0.00073   -0.02142    0.01707
 15 O     0.00360    0.00068    0.01444
 16 O    -0.00202   -0.00077    0.01255
 17 O     0.02251    0.18337   -1.12131
 18 O     0.00071   -0.00863    0.02893
 19 Pt    0.00023    0.01760    0.05065
 20 Pt   -0.00866   -0.53134    0.10255
 21 O    -0.33909    0.54477    0.36987
 22 O     0.34144    0.54420    0.36855
 23 O    -0.00089    0.01202    0.00291
 24 O     0.00002   -0.00088    1.15448
 25 Pt   -0.00015    0.02726   -0.39131
 26 Pt    0.00001   -0.00109   -0.43440
 27 O    -1.69154    0.01328   -0.71749
 28 O     1.69156    0.01329   -0.71754
 29 O     0.00012    0.03625   -1.39999
 30 O    -0.00004   -0.00093    1.82702
 31 Pt   -0.00003    0.01099    0.53914
 32 Pt    0.00017   -0.12071    0.67494
 33 O    -1.60251   -0.01988    0.04535
 34 O     1.60236   -0.02002    0.04539
 35 O     0.00025   -0.01338   -0.69072
 36 O    -0.00073    0.25851    0.05855
 37 Pt   -0.00004   -0.18319   -0.06610
 38 Pt    0.00001    0.01491    0.04426
 39 O     0.05183    0.00244   -0.00357
 40 O    -0.05066    0.00399   -0.00527
 41 O     0.00035   -0.20069   -0.49503
 42 O    -0.00157   -0.03837    0.04719
 43 Pt    0.00278   -0.13107   -0.22005
 44 Pt    0.00174    0.08461   -0.94074
 45 O    -0.08484   -0.14402    0.66819
 46 O     0.08588   -0.14645    0.66405
 47 O    -0.00057    0.03002    0.10705
 48 O     0.00002    0.01911    1.17507
 49 Pt   -0.00009   -0.02522   -0.39067
 50 Pt    0.00001    0.02050   -0.44142
 51 O    -1.69175   -0.01369   -0.71841
 52 O     1.69180   -0.01369   -0.71841
 53 O     0.00014    0.00581   -1.41482
 54 O    -0.00005   -0.00208    1.78544
 55 Pt    0.00014   -0.02463    0.52706
 56 Pt    0.00005    0.06447    0.80566
 57 O    -1.61087    0.01364    0.07181
 58 O     1.61082    0.01361    0.07154
 59 O     0.00021   -0.01204   -0.59513
 60 O    -0.00026    0.02356   -0.32786
 61 Pt    0.00044   -0.12394   -0.24751
 62 Pt    0.00013   -0.00521    0.00574
 63 O     0.01927   -0.00982    0.01175
 64 O    -0.01927   -0.00971    0.01112
 65 O    -0.00019   -0.02278   -0.02674
 66 O    -0.00083    0.00034    0.00723
 67 Pt   -0.00038    0.09971   -0.10625
 68 Pt    0.00081   -0.00400   -0.11205
 69 O    -0.05172   -0.14839    0.63233
 70 O     0.04688   -0.14659    0.63200
 71 O     0.00044   -0.02475    0.01086
 72 N    -0.04937    0.29521   -0.64999
 73 N     0.02590    0.57509   -0.66016
 74 O     0.00253   -0.90191    1.37626

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O    O                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO      O             
            O  OPtOOPt   O         
       Pt  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      3.279164    2.338010   26.364176    ( 0.0000,  0.0000,  0.0000)
  73 N      3.237858    2.906764   25.371066    ( 0.0000,  0.0000,  0.0000)
  74 O      3.206141    3.533596   24.324565    ( 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  13:35:33  -2.37   +inf  -418.563670    3      1      
iter:   2  13:40:11  -3.24  -3.39  -418.595737    3      1      
iter:   3  13:44:47  -3.80  -2.86  -418.568956    3      1      
iter:   4  13:49:26  -4.25  -3.37  -418.564388    3      1      
iter:   5  13:54:03  -4.31  -3.67  -418.565169    2      1      
iter:   6  13:58:40  -4.44  -3.78  -418.563924    3      1      
iter:   7  14:03:17  -4.66  -4.03  -418.563715    2      1      
iter:   8  14:07:54  -4.96  -3.98  -418.564929    2      1      
iter:   9  14:12:31  -5.42  -3.70  -418.563424    2      1      
iter:  10  14:17:08  -5.98  -4.37  -418.563595    2      1      
iter:  11  14:21:45  -6.42  -4.51  -418.563374    2      1      
iter:  12  14:26:22  -6.59  -4.50  -418.563646    2      1      
iter:  13  14:31:00  -6.70  -4.61  -418.563495    2      1      
iter:  14  14:35:38  -7.05  -4.80  -418.563442    2      1      
iter:  15  14:40:15  -7.45  -4.43  -418.563613    2      1      

Converged after 15 iterations.

Dipole moment: (-55.906713, -33.161827, 0.091329) |e|*Ang

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

Kinetic:        +21.216877
Potential:     -139.127021
External:        +0.000000
XC:            -310.852474
Entropy (-ST):   -1.629287
Local:          +11.013649
--------------------------
Free energy:   -419.378257
Extrapolated:  -418.563613

Fermi level: -6.46138

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.52643    0.14603
  0   343     -6.52389    0.14475
  0   344     -6.51329    0.13932
  0   345     -6.51208    0.13869

  1   342     -6.43630    0.19450
  1   343     -6.43384    0.19182
  1   344     -6.38274    0.13909
  1   345     -6.34565    0.10629



Forces in eV/Ang:
  0 O    -0.00001   -0.01813    1.17924
  1 Pt   -0.00014   -0.00193   -0.39064
  2 Pt   -0.00002   -0.01909   -0.44274
  3 O    -1.68374    0.00035   -0.71814
  4 O     1.68376    0.00035   -0.71817
  5 O     0.00011   -0.04183   -1.39817
  6 O    -0.00004    0.00130    1.77358
  7 Pt   -0.00003    0.01693    0.46904
  8 Pt   -0.00009    0.05888    0.96000
  9 O    -1.58340    0.00428    0.05735
 10 O     1.58328    0.00442    0.05742
 11 O     0.00014    0.01542   -0.61874
 12 O    -0.00055   -0.32814   -0.12702
 13 Pt   -0.00049    0.40813   -0.28902
 14 Pt    0.00074   -0.02122    0.01688
 15 O     0.00362    0.00071    0.01475
 16 O    -0.00204   -0.00075    0.01283
 17 O     0.02270    0.18407   -1.12521
 18 O     0.00082   -0.00868    0.02854
 19 Pt    0.00036    0.01637    0.04688
 20 Pt   -0.00940   -0.53560    0.09073
 21 O    -0.33965    0.54462    0.36624
 22 O     0.34190    0.54430    0.36532
 23 O    -0.00062    0.01247    0.00060
 24 O     0.00001   -0.00087    1.15431
 25 Pt   -0.00015    0.02725   -0.39205
 26 Pt    0.00001   -0.00106   -0.43554
 27 O    -1.69205    0.01330   -0.71769
 28 O     1.69208    0.01331   -0.71773
 29 O     0.00013    0.03625   -1.40010
 30 O    -0.00004   -0.00086    1.82428
 31 Pt   -0.00003    0.01091    0.53872
 32 Pt    0.00017   -0.12054    0.67440
 33 O    -1.60237   -0.01998    0.04525
 34 O     1.60223   -0.02012    0.04529
 35 O     0.00025   -0.01337   -0.69023
 36 O    -0.00077    0.25938    0.05784
 37 Pt   -0.00001   -0.18418   -0.06616
 38 Pt    0.00003    0.01450    0.04390
 39 O     0.05166    0.00246   -0.00342
 40 O    -0.05050    0.00401   -0.00511
 41 O     0.00047   -0.20088   -0.49452
 42 O    -0.00139   -0.03866    0.04707
 43 Pt    0.00374   -0.12968   -0.22375
 44 Pt    0.00119    0.08692   -0.93981
 45 O    -0.08479   -0.14437    0.66401
 46 O     0.08544   -0.14662    0.66028
 47 O    -0.00014    0.03222    0.10724
 48 O     0.00002    0.01910    1.17493
 49 Pt   -0.00009   -0.02521   -0.39133
 50 Pt    0.00001    0.02046   -0.44252
 51 O    -1.69229   -0.01369   -0.71860
 52 O     1.69234   -0.01370   -0.71860
 53 O     0.00015    0.00584   -1.41480
 54 O    -0.00005   -0.00207    1.78279
 55 Pt    0.00013   -0.02467    0.52646
 56 Pt    0.00005    0.06436    0.80488
 57 O    -1.61079    0.01364    0.07165
 58 O     1.61073    0.01361    0.07138
 59 O     0.00021   -0.01207   -0.59495
 60 O    -0.00031    0.02226   -0.32822
 61 Pt    0.00044   -0.12367   -0.24805
 62 Pt    0.00012   -0.00501    0.00576
 63 O     0.01934   -0.00986    0.01168
 64 O    -0.01934   -0.00973    0.01104
 65 O    -0.00018   -0.02244   -0.02692
 66 O    -0.00082    0.00078    0.00716
 67 Pt   -0.00013    0.09981   -0.10373
 68 Pt    0.00085   -0.00499   -0.11436
 69 O    -0.05229   -0.14828    0.63292
 70 O     0.04726   -0.14686    0.63316
 71 O     0.00053   -0.02750    0.00968
 72 N    -0.10196    0.42638   -0.68778
 73 N     0.04170    0.58343   -0.55803
 74 O    -0.00758   -0.87508    1.43331

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251751    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      3.286493    2.354756   26.368891    ( 0.0000,  0.0000,  0.0000)
  73 N      3.235580    2.931692   25.380095    ( 0.0000,  0.0000,  0.0000)
  74 O      3.195264    3.563014   24.335977    ( 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  14:57:34  -2.37   +inf  -418.575423    3      1      
iter:   2  15:02:12  -3.12  -2.95  -419.081581    3      1      
iter:   3  15:06:49  -3.56  -2.24  -418.571390    3      1      
iter:   4  15:11:26  -4.08  -3.36  -418.564290    3      1      
iter:   5  15:16:04  -4.34  -3.72  -418.564160    2      1      
iter:   6  15:20:41  -4.44  -3.60  -418.563323    3      1      
iter:   7  15:25:18  -4.72  -3.87  -418.562569    3      1      
iter:   8  15:29:55  -4.99  -4.06  -418.562612    2      1      
iter:   9  15:34:33  -5.03  -4.33  -418.562426    2      1      
iter:  10  15:39:10  -5.61  -4.39  -418.563010    3      1      
iter:  11  15:43:47  -6.14  -4.30  -418.562537    2      1      
iter:  12  15:48:24  -6.66  -4.49  -418.562506    2      1      
iter:  13  15:53:00  -6.51  -4.12  -418.562758    2      1      
iter:  14  15:57:38  -6.75  -4.42  -418.562679    2      1      
iter:  15  16:02:15  -6.86  -4.76  -418.562607    2      1      
iter:  16  16:06:50  -7.00  -5.03  -418.562586    2      1      
iter:  17  16:11:25  -7.48  -5.16  -418.562662    2      1      

Converged after 17 iterations.

Dipole moment: (-55.907250, -33.157836, 0.089758) |e|*Ang

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

Kinetic:        +21.036908
Potential:     -138.989373
External:        +0.000000
XC:            -310.812796
Entropy (-ST):   -1.629385
Local:          +11.017291
--------------------------
Free energy:   -419.377355
Extrapolated:  -418.562662

Fermi level: -6.46233

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.52726    0.14597
  0   343     -6.52481    0.14474
  0   344     -6.51439    0.13940
  0   345     -6.51309    0.13872

  1   342     -6.43732    0.19458
  1   343     -6.43472    0.19174
  1   344     -6.38377    0.13916
  1   345     -6.34667    0.10635



Forces in eV/Ang:
  0 O    -0.00001   -0.01812    1.17923
  1 Pt   -0.00014   -0.00196   -0.39039
  2 Pt   -0.00002   -0.01908   -0.44206
  3 O    -1.68293    0.00033   -0.71828
  4 O     1.68296    0.00033   -0.71831
  5 O     0.00011   -0.04179   -1.39843
  6 O    -0.00004    0.00139    1.77633
  7 Pt   -0.00002    0.01680    0.46895
  8 Pt   -0.00009    0.05893    0.95995
  9 O    -1.58324    0.00419    0.05669
 10 O     1.58313    0.00432    0.05675
 11 O     0.00015    0.01544   -0.61960
 12 O    -0.00053   -0.32825   -0.12723
 13 Pt   -0.00049    0.40903   -0.28884
 14 Pt    0.00074   -0.02142    0.01766
 15 O     0.00374    0.00058    0.01430
 16 O    -0.00217   -0.00088    0.01240
 17 O     0.02257    0.18432   -1.12522
 18 O     0.00074   -0.00869    0.02896
 19 Pt    0.00022    0.01691    0.05049
 20 Pt   -0.00940   -0.53581    0.10295
 21 O    -0.33963    0.54523    0.36906
 22 O     0.34198    0.54480    0.36791
 23 O    -0.00103    0.01267    0.00153
 24 O     0.00001   -0.00088    1.15427
 25 Pt   -0.00015    0.02729   -0.39174
 26 Pt    0.00001   -0.00107   -0.43488
 27 O    -1.69124    0.01330   -0.71782
 28 O     1.69126    0.01331   -0.71786
 29 O     0.00012    0.03611   -1.40030
 30 O    -0.00004   -0.00111    1.82733
 31 Pt   -0.00003    0.01104    0.53849
 32 Pt    0.00016   -0.12064    0.67439
 33 O    -1.60225   -0.01991    0.04453
 34 O     1.60210   -0.02005    0.04457
 35 O     0.00025   -0.01351   -0.69095
 36 O    -0.00074    0.25931    0.05787
 37 Pt   -0.00003   -0.18500   -0.06550
 38 Pt    0.00002    0.01503    0.04467
 39 O     0.05183    0.00257   -0.00367
 40 O    -0.05066    0.00412   -0.00534
 41 O     0.00043   -0.20023   -0.49027
 42 O    -0.00152   -0.03824    0.04707
 43 Pt    0.00373   -0.12998   -0.22115
 44 Pt    0.00167    0.08484   -0.93860
 45 O    -0.08474   -0.14484    0.66753
 46 O     0.08567   -0.14712    0.66312
 47 O    -0.00066    0.03070    0.10696
 48 O     0.00002    0.01910    1.17486
 49 Pt   -0.00009   -0.02521   -0.39117
 50 Pt    0.00001    0.02045   -0.44191
 51 O    -1.69149   -0.01368   -0.71876
 52 O     1.69153   -0.01369   -0.71876
 53 O     0.00015    0.00594   -1.41510
 54 O    -0.00005   -0.00190    1.78580
 55 Pt    0.00014   -0.02466    0.52647
 56 Pt    0.00005    0.06441    0.80507
 57 O    -1.61061    0.01364    0.07094
 58 O     1.61055    0.01362    0.07067
 59 O     0.00022   -0.01193   -0.59550
 60 O    -0.00028    0.02240   -0.32852
 61 Pt    0.00042   -0.12379   -0.24703
 62 Pt    0.00013   -0.00536    0.00635
 63 O     0.01917   -0.00982    0.01160
 64 O    -0.01917   -0.00969    0.01097
 65 O    -0.00019   -0.02271   -0.02469
 66 O    -0.00080    0.00029    0.00713
 67 Pt   -0.00028    0.09982   -0.10398
 68 Pt    0.00076   -0.00456   -0.11147
 69 O    -0.05193   -0.14805    0.63310
 70 O     0.04701   -0.14645    0.63304
 71 O     0.00047   -0.02587    0.01002
 72 N    -0.11626    0.40360   -0.78610
 73 N     0.07986    0.48492   -0.57204
 74 O    -0.00410   -0.91478    1.43520

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251751    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      3.291714    2.364844   26.369214    ( 0.0000,  0.0000,  0.0000)
  73 N      3.232981    2.955526   25.387333    ( 0.0000,  0.0000,  0.0000)
  74 O      3.186044    3.600335   24.345057    ( 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  16:21:36  -2.30   +inf  -418.601676    3      1      
iter:   2  16:26:15  -2.92  -2.72  -419.940772    3      1      
iter:   3  16:30:53  -3.34  -2.03  -418.576655    3      1      
iter:   4  16:35:29  -3.89  -3.04  -418.554869    3      1      
iter:   5  16:40:07  -4.07  -3.31  -418.552656    3      1      
iter:   6  16:44:44  -4.38  -3.49  -418.551492    3      1      
iter:   7  16:49:20  -4.70  -3.55  -418.550172    3      1      
iter:   8  16:53:57  -5.03  -3.88  -418.549621    3      1      
iter:   9  16:58:34  -4.75  -4.03  -418.548603    3      1      
iter:  10  17:03:11  -5.30  -4.02  -418.550484    3      1      
iter:  11  17:07:48  -5.49  -3.86  -418.548932    2      1      
iter:  12  17:12:25  -6.05  -4.30  -418.548946    2      1      
iter:  13  17:17:02  -6.40  -4.08  -418.549102    2      1      
iter:  14  17:21:39  -6.40  -4.21  -418.549108    2      1      
iter:  15  17:26:16  -6.39  -4.45  -418.549199    2      1      
iter:  16  17:30:53  -6.84  -4.65  -418.548908    2      1      
iter:  17  17:35:30  -7.36  -4.52  -418.549185    2      1      
iter:  18  17:40:06  -7.44  -4.80  -418.549140    2      1      

Converged after 18 iterations.

Dipole moment: (-55.907333, -33.159363, 0.097816) |e|*Ang

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

Kinetic:        +20.436283
Potential:     -138.537244
External:        +0.000000
XC:            -310.644858
Entropy (-ST):   -1.629369
Local:          +11.011364
--------------------------
Free energy:   -419.363825
Extrapolated:  -418.549140

Fermi level: -6.45495

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.51962    0.14584
  0   343     -6.51735    0.14469
  0   344     -6.50744    0.13962
  0   345     -6.50589    0.13881

  1   342     -6.43010    0.19475
  1   343     -6.42715    0.19153
  1   344     -6.37662    0.13938
  1   345     -6.33939    0.10643



Forces in eV/Ang:
  0 O    -0.00001   -0.01814    1.17937
  1 Pt   -0.00014   -0.00201   -0.38922
  2 Pt   -0.00002   -0.01910   -0.44164
  3 O    -1.68104    0.00033   -0.71775
  4 O     1.68107    0.00033   -0.71778
  5 O     0.00011   -0.04181   -1.39870
  6 O    -0.00004    0.00135    1.78237
  7 Pt   -0.00003    0.01682    0.47180
  8 Pt   -0.00009    0.05899    0.96184
  9 O    -1.58299    0.00417    0.05786
 10 O     1.58287    0.00431    0.05792
 11 O     0.00015    0.01542   -0.61872
 12 O    -0.00052   -0.32793   -0.12651
 13 Pt   -0.00047    0.40989   -0.28617
 14 Pt    0.00074   -0.02133    0.01960
 15 O     0.00372    0.00070    0.01485
 16 O    -0.00214   -0.00077    0.01296
 17 O     0.02247    0.18487   -1.12047
 18 O     0.00073   -0.00856    0.02835
 19 Pt    0.00010    0.01679    0.04916
 20 Pt   -0.00947   -0.53661    0.10544
 21 O    -0.34088    0.54571    0.36722
 22 O     0.34327    0.54524    0.36599
 23 O    -0.00128    0.01276   -0.00005
 24 O     0.00001   -0.00086    1.15441
 25 Pt   -0.00015    0.02732   -0.39057
 26 Pt    0.00001   -0.00107   -0.43442
 27 O    -1.68935    0.01330   -0.71729
 28 O     1.68938    0.01331   -0.71733
 29 O     0.00012    0.03609   -1.40053
 30 O    -0.00004   -0.00105    1.83352
 31 Pt   -0.00003    0.01101    0.54134
 32 Pt    0.00016   -0.12047    0.67632
 33 O    -1.60201   -0.01992    0.04568
 34 O     1.60187   -0.02005    0.04572
 35 O     0.00025   -0.01347   -0.69023
 36 O    -0.00073    0.25952    0.05860
 37 Pt   -0.00003   -0.18601   -0.06237
 38 Pt    0.00002    0.01479    0.04659
 39 O     0.05160    0.00245   -0.00249
 40 O    -0.05042    0.00400   -0.00417
 41 O     0.00037   -0.19996   -0.47856
 42 O    -0.00156   -0.03826    0.04660
 43 Pt    0.00381   -0.12923   -0.22379
 44 Pt    0.00206    0.08350   -0.94137
 45 O    -0.08569   -0.14531    0.66576
 46 O     0.08673   -0.14760    0.66066
 47 O    -0.00112    0.03057    0.10362
 48 O     0.00002    0.01910    1.17501
 49 Pt   -0.00009   -0.02520   -0.38997
 50 Pt    0.00001    0.02047   -0.44143
 51 O    -1.68957   -0.01368   -0.71823
 52 O     1.68962   -0.01369   -0.71823
 53 O     0.00015    0.00597   -1.41539
 54 O    -0.00005   -0.00193    1.79193
 55 Pt    0.00014   -0.02466    0.52929
 56 Pt    0.00004    0.06420    0.80705
 57 O    -1.61044    0.01366    0.07213
 58 O     1.61038    0.01363    0.07187
 59 O     0.00022   -0.01196   -0.59470
 60 O    -0.00027    0.02185   -0.32789
 61 Pt    0.00043   -0.12365   -0.24403
 62 Pt    0.00012   -0.00523    0.00814
 63 O     0.01926   -0.00983    0.01231
 64 O    -0.01926   -0.00970    0.01168
 65 O    -0.00020   -0.02281   -0.01724
 66 O    -0.00079    0.00023    0.00646
 67 Pt   -0.00043    0.09950   -0.10597
 68 Pt    0.00079   -0.00469   -0.11497
 69 O    -0.05284   -0.14794    0.63090
 70 O     0.04801   -0.14626    0.63067
 71 O     0.00045   -0.02566    0.00768
 72 N    -0.19335    0.52960   -0.92633
 73 N     0.12018    0.55476   -0.69266
 74 O     0.00469   -1.10392    1.72722

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251751    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      3.295391    2.372879   26.368384    ( 0.0000,  0.0000,  0.0000)
  73 N      3.230509    2.977888   25.393430    ( 0.0000,  0.0000,  0.0000)
  74 O      3.177881    3.638601   24.353367    ( 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  17:50:17  -2.32   +inf  -418.957831    4      1      
iter:   2  17:54:55  -2.26  -2.28  -429.187697    3      1      
iter:   3  17:59:35  -2.67  -1.66  -418.612103    4      1      
iter:   4  18:04:13  -3.22  -2.63  -418.550141    3      1      
iter:   5  18:08:50  -3.76  -3.18  -418.535872    3      1      
iter:   6  18:13:27  -4.15  -3.28  -418.534091    3      1      
iter:   7  18:18:05  -4.42  -3.50  -418.533509    3      1      
iter:   8  18:22:42  -4.72  -3.61  -418.532026    3      1      
iter:   9  18:27:20  -4.86  -3.87  -418.531842    3      1      
iter:  10  18:31:57  -4.98  -3.69  -418.533788    3      1      
iter:  11  18:36:34  -5.19  -3.44  -418.530490    3      1      
iter:  12  18:41:14  -5.66  -4.06  -418.531004    3      1      
iter:  13  18:45:52  -5.87  -4.20  -418.530602    2      1      
iter:  14  18:50:29  -6.36  -4.25  -418.530841    2      1      
iter:  15  18:55:05  -6.43  -4.39  -418.530858    2      1      
iter:  16  18:59:41  -6.43  -4.49  -418.530845    2      1      
iter:  17  19:04:18  -6.83  -4.12  -418.531069    2      1      
iter:  18  19:08:54  -7.03  -4.50  -418.530732    2      1      
iter:  19  19:13:29  -7.36  -4.70  -418.530845    2      1      
iter:  20  19:18:05  -7.08  -4.84  -418.530758    3      1      
iter:  21  19:22:41  -6.80  -4.71  -418.530796    3      1      
iter:  22  19:27:18  -7.36  -5.06  -418.530807    2      1      
iter:  23  19:31:54  -7.81  -5.01  -418.530746    2      1      

Converged after 23 iterations.

Dipole moment: (-55.907334, -33.159783, 0.103536) |e|*Ang

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

Kinetic:        +19.525172
Potential:     -137.822861
External:        +0.000000
XC:            -310.432517
Entropy (-ST):   -1.629648
Local:          +11.014284
--------------------------
Free energy:   -419.345570
Extrapolated:  -418.530746

Fermi level: -6.45026

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.51501    0.14588
  0   343     -6.51273    0.14473
  0   344     -6.50255    0.13952
  0   345     -6.50112    0.13877

  1   342     -6.42548    0.19484
  1   343     -6.42255    0.19164
  1   344     -6.37179    0.13925
  1   345     -6.33477    0.10649



Forces in eV/Ang:
  0 O    -0.00001   -0.01813    1.17925
  1 Pt   -0.00014   -0.00198   -0.38900
  2 Pt   -0.00002   -0.01909   -0.44160
  3 O    -1.68141    0.00037   -0.71812
  4 O     1.68143    0.00037   -0.71815
  5 O     0.00011   -0.04184   -1.39879
  6 O    -0.00004    0.00131    1.78198
  7 Pt   -0.00003    0.01680    0.47169
  8 Pt   -0.00009    0.05894    0.96189
  9 O    -1.58335    0.00416    0.05797
 10 O     1.58324    0.00429    0.05804
 11 O     0.00015    0.01542   -0.61845
 12 O    -0.00051   -0.32780   -0.12635
 13 Pt   -0.00045    0.41056   -0.28802
 14 Pt    0.00073   -0.02135    0.01756
 15 O     0.00331    0.00074    0.01442
 16 O    -0.00173   -0.00073    0.01253
 17 O     0.02244    0.18512   -1.12580
 18 O     0.00071   -0.00866    0.02857
 19 Pt   -0.00000    0.01692    0.05285
 20 Pt   -0.00949   -0.53717    0.11522
 21 O    -0.34037    0.54597    0.36953
 22 O     0.34281    0.54546    0.36823
 23 O    -0.00148    0.01273    0.00148
 24 O     0.00002   -0.00088    1.15428
 25 Pt   -0.00015    0.02730   -0.39038
 26 Pt    0.00001   -0.00109   -0.43435
 27 O    -1.68973    0.01328   -0.71767
 28 O     1.68975    0.01329   -0.71771
 29 O     0.00012    0.03611   -1.40055
 30 O    -0.00004   -0.00092    1.83324
 31 Pt   -0.00003    0.01106    0.54129
 32 Pt    0.00016   -0.12027    0.67654
 33 O    -1.60236   -0.01990    0.04581
 34 O     1.60222   -0.02003    0.04586
 35 O     0.00025   -0.01341   -0.68997
 36 O    -0.00071    0.25945    0.05860
 37 Pt   -0.00002   -0.18711   -0.06479
 38 Pt    0.00001    0.01479    0.04453
 39 O     0.05121    0.00244   -0.00308
 40 O    -0.05004    0.00399   -0.00475
 41 O     0.00033   -0.19959   -0.48310
 42 O    -0.00160   -0.03820    0.04682
 43 Pt    0.00386   -0.12868   -0.21956
 44 Pt    0.00241    0.08149   -0.93923
 45 O    -0.08505   -0.14583    0.66959
 46 O     0.08621   -0.14815    0.66401
 47 O    -0.00149    0.02996    0.10342
 48 O     0.00002    0.01912    1.17488
 49 Pt   -0.00009   -0.02521   -0.38972
 50 Pt    0.00001    0.02049   -0.44134
 51 O    -1.68993   -0.01370   -0.71857
 52 O     1.68997   -0.01370   -0.71857
 53 O     0.00014    0.00597   -1.41537
 54 O    -0.00005   -0.00202    1.79169
 55 Pt    0.00014   -0.02468    0.52917
 56 Pt    0.00004    0.06405    0.80719
 57 O    -1.61081    0.01364    0.07224
 58 O     1.61076    0.01362    0.07197
 59 O     0.00022   -0.01202   -0.59452
 60 O    -0.00025    0.02172   -0.32777
 61 Pt    0.00043   -0.12322   -0.24624
 62 Pt    0.00012   -0.00522    0.00628
 63 O     0.01883   -0.00985    0.01197
 64 O    -0.01883   -0.00973    0.01135
 65 O    -0.00021   -0.02278   -0.02093
 66 O    -0.00077    0.00020    0.00670
 67 Pt   -0.00056    0.09910   -0.10400
 68 Pt    0.00080   -0.00445   -0.11031
 69 O    -0.05197   -0.14753    0.63197
 70 O     0.04720   -0.14576    0.63162
 71 O     0.00042   -0.02482    0.00883
 72 N    -0.18481    0.74471   -1.12138
 73 N     0.02687    0.65174   -0.84074
 74 O     0.01779   -1.34136    2.06829

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O    O                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt          O             
           O PO      O             
            O  OPtOOPt   O         
       Pt  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      3.297925    2.378245   26.365676    ( 0.0000,  0.0000,  0.0000)
  73 N      3.226360    2.997936   25.397830    ( 0.0000,  0.0000,  0.0000)
  74 O      3.171578    3.677543   24.359984    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:42:05  -2.35   +inf  -418.812153    4      1      
iter:   2  19:46:42  -2.39  -2.35  -426.439192    3      1      
iter:   3  19:51:19  -2.81  -1.71  -418.554773    4      1      
iter:   4  19:55:56  -3.37  -2.75  -418.522862    3      1      
iter:   5  20:00:34  -3.87  -3.21  -418.509569    3      1      
iter:   6  20:05:12  -4.19  -3.24  -418.508097    3      1      
iter:   7  20:09:50  -4.46  -3.49  -418.506984    3      1      
iter:   8  20:14:29  -4.70  -3.65  -418.505383    3      1      
iter:   9  20:19:07  -4.72  -3.88  -418.504256    3      1      
iter:  10  20:23:45  -4.98  -3.94  -418.504350    3      1      
iter:  11  20:28:22  -5.23  -3.70  -418.503963    3      1      
iter:  12  20:32:59  -5.78  -4.03  -418.503384    2      1      
iter:  13  20:37:37  -6.19  -4.11  -418.503984    3      1      
iter:  14  20:42:14  -6.31  -4.25  -418.503766    2      1      
iter:  15  20:46:50  -6.28  -4.38  -418.503884    2      1      
iter:  16  20:51:25  -6.56  -4.44  -418.503847    2      1      
iter:  17  20:56:01  -6.76  -4.20  -418.503867    2      1      
iter:  18  21:00:36  -7.17  -4.71  -418.503939    2      1      
iter:  19  21:05:11  -7.50  -4.76  -418.503759    2      1      

Converged after 19 iterations.

Dipole moment: (-55.907277, -33.163964, 0.116771) |e|*Ang

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

Kinetic:        +18.688857
Potential:     -137.195565
External:        +0.000000
XC:            -310.192832
Entropy (-ST):   -1.629707
Local:          +11.010634
--------------------------
Free energy:   -419.318613
Extrapolated:  -418.503759

Fermi level: -6.43922

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.50403    0.14590
  0   343     -6.50179    0.14478
  0   344     -6.49139    0.13945
  0   345     -6.49005    0.13875

  1   342     -6.41442    0.19481
  1   343     -6.41161    0.19173
  1   344     -6.36066    0.13916
  1   345     -6.32384    0.10657



Forces in eV/Ang:
  0 O    -0.00001   -0.01812    1.18036
  1 Pt   -0.00014   -0.00202   -0.38818
  2 Pt   -0.00002   -0.01913   -0.44103
  3 O    -1.68217    0.00032   -0.71727
  4 O     1.68220    0.00032   -0.71729
  5 O     0.00011   -0.04178   -1.39847
  6 O    -0.00004    0.00137    1.77944
  7 Pt   -0.00003    0.01682    0.47113
  8 Pt   -0.00010    0.05900    0.96154
  9 O    -1.58361    0.00417    0.05801
 10 O     1.58350    0.00430    0.05808
 11 O     0.00015    0.01543   -0.61907
 12 O    -0.00052   -0.32801   -0.12649
 13 Pt   -0.00044    0.41132   -0.28830
 14 Pt    0.00073   -0.02153    0.01744
 15 O     0.00359    0.00077    0.01455
 16 O    -0.00202   -0.00069    0.01266
 17 O     0.02251    0.18592   -1.13135
 18 O     0.00071   -0.00866    0.02875
 19 Pt   -0.00002    0.01656    0.04710
 20 Pt   -0.00967   -0.53998    0.10674
 21 O    -0.34072    0.54614    0.36452
 22 O     0.34316    0.54566    0.36329
 23 O    -0.00143    0.01224   -0.00097
 24 O     0.00001   -0.00087    1.15538
 25 Pt   -0.00015    0.02731   -0.38950
 26 Pt    0.00001   -0.00105   -0.43381
 27 O    -1.69045    0.01329   -0.71682
 28 O     1.69048    0.01330   -0.71687
 29 O     0.00012    0.03602   -1.40027
 30 O    -0.00004   -0.00098    1.83063
 31 Pt   -0.00003    0.01101    0.54070
 32 Pt    0.00016   -0.12023    0.67631
 33 O    -1.60261   -0.01991    0.04585
 34 O     1.60247   -0.02004    0.04589
 35 O     0.00025   -0.01342   -0.69061
 36 O    -0.00072    0.26001    0.05826
 37 Pt   -0.00002   -0.18791   -0.06552
 38 Pt    0.00001    0.01485    0.04434
 39 O     0.05170    0.00241   -0.00298
 40 O    -0.05053    0.00396   -0.00465
 41 O     0.00035   -0.19971   -0.48545
 42 O    -0.00157   -0.03813    0.04671
 43 Pt    0.00417   -0.12789   -0.22521
 44 Pt    0.00235    0.08174   -0.94641
 45 O    -0.08530   -0.14631    0.66665
 46 O     0.08641   -0.14861    0.66094
 47 O    -0.00161    0.03082    0.10073
 48 O     0.00002    0.01910    1.17596
 49 Pt   -0.00009   -0.02519   -0.38891
 50 Pt    0.00001    0.02048   -0.44089
 51 O    -1.69069   -0.01367   -0.71773
 52 O     1.69074   -0.01367   -0.71772
 53 O     0.00014    0.00600   -1.41519
 54 O    -0.00005   -0.00201    1.78880
 55 Pt    0.00014   -0.02465    0.52858
 56 Pt    0.00004    0.06395    0.80694
 57 O    -1.61108    0.01364    0.07226
 58 O     1.61102    0.01362    0.07199
 59 O     0.00022   -0.01202   -0.59511
 60 O    -0.00026    0.02125   -0.32845
 61 Pt    0.00043   -0.12320   -0.24695
 62 Pt    0.00012   -0.00510    0.00605
 63 O     0.01919   -0.00985    0.01194
 64 O    -0.01918   -0.00972    0.01131
 65 O    -0.00021   -0.02274   -0.02387
 66 O    -0.00076    0.00018    0.00670
 67 Pt   -0.00054    0.09893   -0.10798
 68 Pt    0.00081   -0.00472   -0.11842
 69 O    -0.05251   -0.14737    0.62816
 70 O     0.04774   -0.14567    0.62789
 71 O     0.00044   -0.02510    0.00640
 72 N    -0.20245    0.88309   -1.29548
 73 N     0.11496    0.73243   -0.97727
 74 O     0.05678   -1.58460    2.39302

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251751    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      3.297819    2.386783   26.370300    ( 0.0000,  0.0000,  0.0000)
  73 N      3.223365    3.002785   25.401077    ( 0.0000,  0.0000,  0.0000)
  74 O      3.170162    3.679281   24.362671    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:15:22  -3.55   +inf  -418.521646    3      1      
iter:   2  21:20:00  -4.11  -3.21  -418.546630    3      1      
iter:   3  21:24:37  -4.30  -2.78  -418.519554    3      1      
iter:   4  21:29:14  -4.76  -3.01  -418.508710    3      1      
iter:   5  21:33:52  -5.34  -4.15  -418.508315    3      1      
iter:   6  21:38:29  -5.43  -4.19  -418.508371    3      1      
iter:   7  21:43:06  -5.40  -4.03  -418.508376    3      1      
iter:   8  21:47:42  -5.76  -4.44  -418.508445    3      1      
iter:   9  21:52:19  -6.35  -4.62  -418.508270    3      1      
iter:  10  21:56:56  -6.62  -4.71  -418.508493    2      1      
iter:  11  22:01:33  -7.16  -4.73  -418.508332    2      1      
iter:  12  22:06:11  -7.19  -4.46  -418.508301    2      1      
iter:  13  22:10:48  -7.33  -4.67  -418.508331    2      1      
iter:  14  22:15:24  -7.55  -4.86  -418.508323    2      1      

Converged after 14 iterations.

Dipole moment: (-55.907880, -33.161174, 0.109998) |e|*Ang

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

Kinetic:        +18.733542
Potential:     -137.210465
External:        +0.000000
XC:            -310.233416
Entropy (-ST):   -1.629614
Local:          +11.016823
--------------------------
Free energy:   -419.323130
Extrapolated:  -418.508323

Fermi level: -6.44511

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.51004    0.14597
  0   343     -6.50770    0.14479
  0   344     -6.49710    0.13936
  0   345     -6.49586    0.13872

  1   342     -6.42019    0.19467
  1   343     -6.41753    0.19177
  1   344     -6.36647    0.13908
  1   345     -6.32968    0.10653



Forces in eV/Ang:
  0 O    -0.00001   -0.01813    1.17909
  1 Pt   -0.00014   -0.00199   -0.38953
  2 Pt   -0.00002   -0.01910   -0.44189
  3 O    -1.68292    0.00035   -0.71824
  4 O     1.68295    0.00035   -0.71827
  5 O     0.00011   -0.04181   -1.39829
  6 O    -0.00004    0.00136    1.77666
  7 Pt   -0.00003    0.01679    0.46966
  8 Pt   -0.00010    0.05894    0.96069
  9 O    -1.58362    0.00415    0.05752
 10 O     1.58351    0.00429    0.05759
 11 O     0.00015    0.01544   -0.61923
 12 O    -0.00051   -0.32811   -0.12633
 13 Pt   -0.00044    0.41127   -0.28919
 14 Pt    0.00073   -0.02157    0.01750
 15 O     0.00371    0.00074    0.01442
 16 O    -0.00214   -0.00072    0.01252
 17 O     0.02249    0.18581   -1.13418
 18 O     0.00072   -0.00866    0.02933
 19 Pt   -0.00007    0.01706    0.05223
 20 Pt   -0.00954   -0.53952    0.11420
 21 O    -0.33956    0.54620    0.37003
 22 O     0.34200    0.54573    0.36878
 23 O    -0.00150    0.01273    0.00183
 24 O     0.00001   -0.00088    1.15413
 25 Pt   -0.00015    0.02731   -0.39088
 26 Pt    0.00001   -0.00109   -0.43464
 27 O    -1.69121    0.01328   -0.71779
 28 O     1.69124    0.01329   -0.71783
 29 O     0.00012    0.03607   -1.40007
 30 O    -0.00004   -0.00094    1.82789
 31 Pt   -0.00003    0.01104    0.53923
 32 Pt    0.00016   -0.12015    0.67544
 33 O    -1.60260   -0.01991    0.04535
 34 O     1.60246   -0.02004    0.04540
 35 O     0.00025   -0.01341   -0.69074
 36 O    -0.00072    0.25984    0.05840
 37 Pt   -0.00001   -0.18810   -0.06670
 38 Pt    0.00001    0.01489    0.04443
 39 O     0.05194    0.00246   -0.00362
 40 O    -0.05077    0.00401   -0.00530
 41 O     0.00033   -0.19974   -0.49129
 42 O    -0.00158   -0.03819    0.04747
 43 Pt    0.00405   -0.12804   -0.22014
 44 Pt    0.00243    0.08140   -0.94596
 45 O    -0.08422   -0.14633    0.67168
 46 O     0.08536   -0.14869    0.66565
 47 O    -0.00188    0.03001    0.10189
 48 O     0.00002    0.01912    1.17473
 49 Pt   -0.00009   -0.02521   -0.39024
 50 Pt    0.00001    0.02049   -0.44165
 51 O    -1.69144   -0.01368   -0.71869
 52 O     1.69148   -0.01369   -0.71869
 53 O     0.00014    0.00597   -1.41492
 54 O    -0.00005   -0.00206    1.78628
 55 Pt    0.00014   -0.02464    0.52709
 56 Pt    0.00004    0.06393    0.80605
 57 O    -1.61108    0.01365    0.07176
 58 O     1.61102    0.01363    0.07149
 59 O     0.00022   -0.01205   -0.59529
 60 O    -0.00026    0.02150   -0.32823
 61 Pt    0.00045   -0.12296   -0.24805
 62 Pt    0.00012   -0.00511    0.00620
 63 O     0.01931   -0.00986    0.01175
 64 O    -0.01930   -0.00973    0.01112
 65 O    -0.00021   -0.02271   -0.02671
 66 O    -0.00075    0.00016    0.00754
 67 Pt   -0.00061    0.09858   -0.10470
 68 Pt    0.00082   -0.00446   -0.11142
 69 O    -0.05103   -0.14718    0.63228
 70 O     0.04628   -0.14542    0.63192
 71 O     0.00043   -0.02466    0.00877
 72 N    -0.23195    0.76578   -1.28692
 73 N     0.16864    0.73876   -0.98769
 74 O     0.04601   -1.57754    2.34702

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251751    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      3.296415    2.396296   26.373074    ( 0.0000,  0.0000,  0.0000)
  73 N      3.218289    3.015407   25.405825    ( 0.0000,  0.0000,  0.0000)
  74 O      3.167813    3.699714   24.367233    ( 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  22:25:33  -2.83   +inf  -418.499934    3      1      
iter:   2  22:30:11  -3.66  -3.19  -418.609180    3      1      
iter:   3  22:34:48  -4.10  -2.56  -418.505527    3      1      
iter:   4  22:39:26  -4.50  -3.24  -418.495254    3      1      
iter:   5  22:44:04  -4.56  -3.51  -418.495784    3      1      
iter:   6  22:48:41  -4.89  -3.71  -418.495212    2      1      
iter:   7  22:53:18  -5.20  -3.99  -418.494695    3      1      
iter:   8  22:57:55  -5.04  -4.32  -418.494288    3      1      
iter:   9  23:02:32  -5.53  -4.29  -418.494531    3      1      
iter:  10  23:07:09  -6.28  -4.33  -418.494190    2      1      
iter:  11  23:11:46  -6.63  -4.32  -418.494330    2      1      
iter:  12  23:16:23  -6.72  -4.25  -418.494453    2      1      
iter:  13  23:21:00  -6.73  -4.54  -418.494392    2      1      
iter:  14  23:25:37  -6.90  -4.64  -418.494445    2      1      
iter:  15  23:30:13  -7.35  -4.95  -418.494399    2      1      
iter:  16  23:34:48  -7.66  -5.09  -418.494458    2      1      

Converged after 16 iterations.

Dipole moment: (-55.908183, -33.164352, 0.119034) |e|*Ang

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

Kinetic:        +18.430446
Potential:     -136.986403
External:        +0.000000
XC:            -310.136421
Entropy (-ST):   -1.629440
Local:          +11.012640
--------------------------
Free energy:   -419.309178
Extrapolated:  -418.494458

Fermi level: -6.43785

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.50282    0.14599
  0   343     -6.50044    0.14479
  0   344     -6.48981    0.13935
  0   345     -6.48860    0.13872

  1   342     -6.41276    0.19450
  1   343     -6.41026    0.19176
  1   344     -6.35920    0.13908
  1   345     -6.32244    0.10656



Forces in eV/Ang:
  0 O    -0.00001   -0.01812    1.17934
  1 Pt   -0.00014   -0.00203   -0.38928
  2 Pt   -0.00002   -0.01907   -0.44134
  3 O    -1.68356    0.00037   -0.71775
  4 O     1.68359    0.00037   -0.71778
  5 O     0.00011   -0.04179   -1.39812
  6 O    -0.00004    0.00141    1.77469
  7 Pt   -0.00003    0.01674    0.46881
  8 Pt   -0.00010    0.05894    0.95976
  9 O    -1.58341    0.00410    0.05737
 10 O     1.58330    0.00424    0.05744
 11 O     0.00015    0.01547   -0.61942
 12 O    -0.00052   -0.32829   -0.12643
 13 Pt   -0.00044    0.41164   -0.28877
 14 Pt    0.00072   -0.02164    0.01821
 15 O     0.00399    0.00069    0.01472
 16 O    -0.00242   -0.00077    0.01283
 17 O     0.02254    0.18615   -1.13521
 18 O     0.00070   -0.00857    0.02916
 19 Pt   -0.00007    0.01673    0.04931
 20 Pt   -0.00965   -0.54050    0.11066
 21 O    -0.34007    0.54628    0.36722
 22 O     0.34250    0.54580    0.36602
 23 O    -0.00137    0.01272    0.00084
 24 O     0.00001   -0.00089    1.15440
 25 Pt   -0.00015    0.02733   -0.39062
 26 Pt    0.00001   -0.00112   -0.43407
 27 O    -1.69187    0.01327   -0.71728
 28 O     1.69190    0.01328   -0.71732
 29 O     0.00012    0.03602   -1.39996
 30 O    -0.00004   -0.00100    1.82602
 31 Pt   -0.00003    0.01107    0.53831
 32 Pt    0.00016   -0.12010    0.67451
 33 O    -1.60236   -0.01989    0.04519
 34 O     1.60222   -0.02002    0.04523
 35 O     0.00025   -0.01344   -0.69095
 36 O    -0.00073    0.26022    0.05811
 37 Pt    0.00001   -0.18836   -0.06603
 38 Pt    0.00001    0.01497    0.04513
 39 O     0.05228    0.00254   -0.00333
 40 O    -0.05112    0.00409   -0.00500
 41 O     0.00035   -0.19978   -0.49008
 42 O    -0.00159   -0.03826    0.04734
 43 Pt    0.00425   -0.12739   -0.22281
 44 Pt    0.00225    0.08096   -0.94596
 45 O    -0.08424   -0.14645    0.66877
 46 O     0.08540   -0.14880    0.66271
 47 O    -0.00194    0.03046    0.10146
 48 O     0.00002    0.01912    1.17500
 49 Pt   -0.00009   -0.02520   -0.38999
 50 Pt    0.00001    0.02050   -0.44109
 51 O    -1.69207   -0.01370   -0.71821
 52 O     1.69211   -0.01370   -0.71821
 53 O     0.00015    0.00600   -1.41484
 54 O    -0.00005   -0.00203    1.78460
 55 Pt    0.00014   -0.02462    0.52628
 56 Pt    0.00004    0.06389    0.80516
 57 O    -1.61088    0.01368    0.07158
 58 O     1.61083    0.01365    0.07131
 59 O     0.00022   -0.01204   -0.59545
 60 O    -0.00027    0.02123   -0.32863
 61 Pt    0.00046   -0.12307   -0.24762
 62 Pt    0.00012   -0.00512    0.00660
 63 O     0.01954   -0.00987    0.01199
 64 O    -0.01954   -0.00974    0.01136
 65 O    -0.00020   -0.02266   -0.02651
 66 O    -0.00075    0.00017    0.00725
 67 Pt   -0.00058    0.09838   -0.10603
 68 Pt    0.00083   -0.00471   -0.11521
 69 O    -0.05144   -0.14719    0.63020
 70 O     0.04672   -0.14545    0.62986
 71 O     0.00043   -0.02513    0.00792
 72 N    -0.25869    0.82396   -1.31957
 73 N     0.17002    0.87678   -1.11785
 74 O     0.03741   -1.67313    2.52673

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251751    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      3.293431    2.415195   26.378857    ( 0.0000,  0.0000,  0.0000)
  73 N      3.208311    3.039746   25.415165    ( 0.0000,  0.0000,  0.0000)
  74 O      3.163351    3.738477   24.376038    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:44:58  -2.27   +inf  -418.494933    3      1      
iter:   2  23:49:37  -3.08  -2.86  -418.879329    4      1      
iter:   3  23:54:15  -3.53  -2.29  -418.527290    3      1      
iter:   4  23:58:55  -3.95  -2.78  -418.473719    3      1      
iter:   5  00:03:35  -3.97  -3.31  -418.467966    3      1      
iter:   6  00:08:15  -4.40  -3.68  -418.470022    3      1      
iter:   7  00:12:53  -4.84  -3.44  -418.467553    2      1      
iter:   8  00:17:32  -4.95  -3.93  -418.467073    3      1      
iter:   9  00:22:09  -4.63  -4.05  -418.466111    3      1      
iter:  10  00:26:46  -5.36  -4.17  -418.467065    3      1      
iter:  11  00:31:25  -5.64  -3.94  -418.466137    2      1      
iter:  12  00:36:05  -6.11  -4.22  -418.466176    2      1      
iter:  13  00:40:42  -6.25  -4.34  -418.466481    2      1      
