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

User:   hao@node495.cluster
Date:   Sun Dec 19 22:43:02 2021
Arch:   x86_64
Pid:    7820
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: 107.19 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                 
                  NO               
             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      3.242998    3.166236   26.357788    ( 0.0000,  0.0000,  0.0000)
  73 N      3.263142    3.958100   25.562541    ( 0.0000,  0.0000,  0.0000)
  74 O      3.288444    4.811499   24.696972    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:49:01  +0.89   +inf  -540.747683    2      1      
iter:   2  22:53:38  -0.13  -1.04  -498.947407    36     1      
iter:   3  22:58:16  +0.14  -1.11  -575.556161    4      1      
iter:   4  23:02:54  -0.31  -1.06  -424.912542    34     1      
iter:   5  23:07:31  -0.93  -1.45  -424.094960    35     1      
iter:   6  23:12:09  -1.61  -1.46  -423.457830    4      1      
iter:   7  23:16:47  -1.82  -1.47  -421.951435    3      1      
iter:   8  23:21:25  -1.89  -1.51  -424.076927    3      1      
iter:   9  23:26:04  -1.52  -1.54  -437.598109    3      1      
iter:  10  23:30:41  -1.74  -1.48  -421.600345    3      1      
iter:  11  23:35:20  -2.11  -1.67  -420.443627    4      1      
iter:  12  23:39:57  -2.40  -1.77  -421.101066    4      1      
iter:  13  23:44:35  -2.19  -1.79  -419.710596    4      1      
iter:  14  23:49:13  -2.06  -1.97  -419.093431    3      1      
iter:  15  23:53:50  -2.57  -2.20  -419.519943    3      1      
iter:  16  23:58:28  -2.71  -2.05  -418.727851    3      1      
iter:  17  00:03:06  -2.86  -2.35  -418.747608    2      1      
iter:  18  00:07:43  -3.12  -2.36  -418.686277    3      1      
iter:  19  00:12:21  -3.36  -2.43  -418.640988    3      1      
iter:  20  00:16:58  -3.39  -2.56  -418.574145    4      1      
iter:  21  00:21:35  -3.69  -2.91  -418.661676    3      1      
iter:  22  00:26:12  -3.80  -2.56  -418.575567    3      1      
iter:  23  00:30:49  -3.98  -2.94  -418.567250    3      1      
iter:  24  00:35:27  -4.59  -3.10  -418.568126    3      1      
iter:  25  00:40:05  -4.92  -3.15  -418.563219    3      1      
iter:  26  00:44:42  -4.79  -3.29  -418.565766    3      1      
iter:  27  00:49:19  -5.35  -3.36  -418.563986    2      1      
iter:  28  00:53:56  -5.23  -3.57  -418.564789    3      1      
iter:  29  00:58:33  -5.24  -3.45  -418.564026    3      1      
iter:  30  01:03:11  -5.50  -3.69  -418.563604    2      1      
iter:  31  01:07:48  -5.64  -3.74  -418.564643    3      1      
iter:  32  01:12:25  -5.60  -3.64  -418.563534    2      1      
iter:  33  01:17:02  -6.00  -4.07  -418.563529    2      1      
iter:  34  01:21:40  -6.27  -4.21  -418.563547    2      1      
iter:  35  01:26:18  -6.40  -4.27  -418.563937    2      1      
iter:  36  01:30:55  -6.62  -4.36  -418.563853    2      1      
iter:  37  01:35:33  -6.81  -4.25  -418.563688    2      1      
iter:  38  01:40:11  -7.02  -4.46  -418.563860    2      1      
iter:  39  01:44:49  -7.03  -4.43  -418.563803    2      1      
iter:  40  01:49:26  -7.29  -4.82  -418.563786    2      1      
iter:  41  01:54:05  -7.46  -5.01  -418.563781    2      1      

Converged after 41 iterations.

Dipole moment: (-55.903919, -33.096910, 0.086010) |e|*Ang

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

Kinetic:        +24.620318
Potential:     -141.832033
External:        +0.000000
XC:            -311.562714
Entropy (-ST):   -1.629086
Local:          +11.025190
--------------------------
Free energy:   -419.378324
Extrapolated:  -418.563781

Fermi level: -6.46522

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.53014    0.14596
  0   343     -6.52668    0.14422
  0   344     -6.51725    0.13938
  0   345     -6.51555    0.13849

  1   342     -6.43998    0.19432
  1   343     -6.43687    0.19093
  1   344     -6.38654    0.13905
  1   345     -6.35021    0.10687



Forces in eV/Ang:
  0 O    -0.00001   -0.01814    1.17943
  1 Pt   -0.00014   -0.00206   -0.39064
  2 Pt   -0.00003   -0.01909   -0.44122
  3 O    -1.68223    0.00035   -0.71787
  4 O     1.68226    0.00035   -0.71790
  5 O     0.00011   -0.04182   -1.39913
  6 O    -0.00004    0.00132    1.77726
  7 Pt   -0.00002    0.01676    0.47006
  8 Pt   -0.00008    0.05922    0.96034
  9 O    -1.58361    0.00421    0.05742
 10 O     1.58349    0.00434    0.05748
 11 O     0.00013    0.01533   -0.61945
 12 O    -0.00052   -0.32419   -0.12607
 13 Pt   -0.00054    0.42250   -0.28743
 14 Pt    0.00074   -0.02183    0.01784
 15 O     0.00389    0.00110    0.01449
 16 O    -0.00229   -0.00035    0.01259
 17 O     0.02229    0.19315   -1.15993
 18 O     0.00069   -0.00865    0.02763
 19 Pt    0.00058    0.01174    0.06313
 20 Pt   -0.00758   -0.58653    0.14818
 21 O    -0.34343    0.55117    0.36675
 22 O     0.34558    0.55041    0.36546
 23 O    -0.00003    0.02151    0.00103
 24 O     0.00002   -0.00086    1.15447
 25 Pt   -0.00016    0.02745   -0.39175
 26 Pt    0.00001   -0.00106   -0.43412
 27 O    -1.69050    0.01327   -0.71741
 28 O     1.69053    0.01328   -0.71746
 29 O     0.00012    0.03551   -1.40119
 30 O    -0.00003   -0.00091    1.82875
 31 Pt   -0.00003    0.01118    0.53996
 32 Pt    0.00017   -0.11866    0.67700
 33 O    -1.60240   -0.01995    0.04513
 34 O     1.60225   -0.02008    0.04517
 35 O     0.00024   -0.01345   -0.69102
 36 O    -0.00075    0.26189    0.05523
 37 Pt    0.00000   -0.20279   -0.06725
 38 Pt   -0.00000    0.01551    0.04462
 39 O     0.05186    0.00235   -0.00331
 40 O    -0.05070    0.00395   -0.00503
 41 O     0.00043   -0.20088   -0.46603
 42 O    -0.00155   -0.03692    0.04517
 43 Pt    0.00116   -0.12757   -0.23343
 44 Pt    0.00148    0.09170   -0.91155
 45 O    -0.08260   -0.15109    0.68227
 46 O     0.08360   -0.15370    0.68002
 47 O     0.00163    0.01787    0.10799
 48 O     0.00002    0.01916    1.17509
 49 Pt   -0.00009   -0.02530   -0.39135
 50 Pt    0.00001    0.02046   -0.44111
 51 O    -1.69075   -0.01367   -0.71828
 52 O     1.69080   -0.01368   -0.71829
 53 O     0.00015    0.00647   -1.41595
 54 O    -0.00004   -0.00201    1.78706
 55 Pt    0.00014   -0.02479    0.52756
 56 Pt    0.00006    0.06225    0.80729
 57 O    -1.61129    0.01359    0.07150
 58 O     1.61123    0.01357    0.07122
 59 O     0.00019   -0.01187   -0.59562
 60 O    -0.00023    0.01550   -0.32966
 61 Pt    0.00032   -0.12058   -0.24823
 62 Pt    0.00014   -0.00572    0.00610
 63 O     0.01907   -0.01016    0.01211
 64 O    -0.01905   -0.01007    0.01149
 65 O    -0.00024   -0.02241   -0.01667
 66 O    -0.00093   -0.00244    0.00810
 67 Pt   -0.00030    0.10837   -0.09972
 68 Pt    0.00094   -0.00621   -0.11188
 69 O    -0.05188   -0.14626    0.62658
 70 O     0.04675   -0.14425    0.62640
 71 O     0.00047   -0.02477   -0.00028
 72 N    -0.03050   -1.31694    1.36982
 73 N     0.05606    2.14326   -2.23549
 74 O    -0.01422   -0.84038    0.90384

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.242723    3.154872   26.369801    ( 0.0000,  0.0000,  0.0000)
  73 N      3.263627    3.976875   25.543102    ( 0.0000,  0.0000,  0.0000)
  74 O      3.288321    4.804248   24.704870    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:05:11  -2.16   +inf  -419.184042    37     1      
iter:   2  02:09:49  -2.32  -2.28  -425.543072    4      1      
iter:   3  02:14:27  -2.61  -1.72  -418.824807    4      1      
iter:   4  02:19:05  -2.86  -2.53  -418.781690    4      1      
iter:   5  02:23:44  -2.85  -2.45  -418.694671    4      1      
iter:   6  02:28:23  -3.26  -2.51  -418.581011    3      1      
iter:   7  02:33:01  -3.85  -3.09  -418.574111    3      1      
iter:   8  02:37:39  -4.18  -3.10  -418.564700    3      1      
iter:   9  02:42:18  -3.60  -3.31  -418.546039    4      1      
iter:  10  02:46:55  -4.06  -3.38  -418.547509    3      1      
iter:  11  02:51:33  -4.16  -3.60  -418.545991    3      1      
iter:  12  02:56:11  -4.46  -3.60  -418.546552    3      1      
iter:  13  03:00:49  -4.67  -3.82  -418.546493    2      1      
iter:  14  03:05:27  -5.12  -3.85  -418.545950    3      1      
iter:  15  03:10:05  -5.43  -3.56  -418.546045    3      1      
iter:  16  03:14:43  -5.68  -4.14  -418.545781    2      1      
iter:  17  03:19:21  -5.90  -4.29  -418.546597    3      1      
iter:  18  03:23:59  -6.38  -4.02  -418.545771    3      1      
iter:  19  03:28:36  -6.46  -4.34  -418.545889    3      1      
iter:  20  03:33:14  -6.45  -4.17  -418.546211    2      1      
iter:  21  03:37:51  -6.55  -4.23  -418.545905    2      1      
iter:  22  03:42:29  -6.52  -4.51  -418.545871    3      1      
iter:  23  03:47:13  -6.45  -4.54  -418.545788    3      1      
iter:  24  03:51:50  -6.75  -4.68  -418.545968    2      1      
iter:  25  03:56:27  -7.20  -4.63  -418.545831    2      1      
iter:  26  04:01:05  -7.54  -5.00  -418.545861    2      1      

Converged after 26 iterations.

Dipole moment: (-55.902826, -33.050083, 0.001169) |e|*Ang

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

Kinetic:        +22.338964
Potential:     -139.949871
External:        +0.000000
XC:            -311.143136
Entropy (-ST):   -1.628983
Local:          +11.022674
--------------------------
Free energy:   -419.360352
Extrapolated:  -418.545861

Fermi level: -6.53666

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.60140    0.14587
  0   343     -6.59805    0.14418
  0   344     -6.58854    0.13930
  0   345     -6.58689    0.13844

  1   342     -6.51124    0.19413
  1   343     -6.50875    0.19141
  1   344     -6.45789    0.13896
  1   345     -6.42144    0.10671



Forces in eV/Ang:
  0 O    -0.00001   -0.01812    1.18119
  1 Pt   -0.00014   -0.00202   -0.39157
  2 Pt   -0.00003   -0.01909   -0.44112
  3 O    -1.68277    0.00035   -0.71756
  4 O     1.68279    0.00035   -0.71759
  5 O     0.00011   -0.04172   -1.39806
  6 O    -0.00004    0.00132    1.77591
  7 Pt   -0.00002    0.01675    0.46983
  8 Pt   -0.00008    0.05880    0.96057
  9 O    -1.58367    0.00422    0.05761
 10 O     1.58355    0.00436    0.05767
 11 O     0.00013    0.01532   -0.61901
 12 O    -0.00052   -0.32514   -0.12601
 13 Pt   -0.00054    0.42206   -0.28806
 14 Pt    0.00074   -0.02177    0.01768
 15 O     0.00395    0.00113    0.01449
 16 O    -0.00235   -0.00031    0.01260
 17 O     0.02231    0.19289   -1.15866
 18 O     0.00069   -0.00876    0.02795
 19 Pt    0.00057    0.01422    0.06622
 20 Pt   -0.00765   -0.59035    0.14979
 21 O    -0.34328    0.55085    0.36600
 22 O     0.34543    0.55010    0.36471
 23 O    -0.00008    0.02256   -0.00608
 24 O     0.00002   -0.00086    1.15622
 25 Pt   -0.00016    0.02743   -0.39267
 26 Pt    0.00001   -0.00105   -0.43406
 27 O    -1.69105    0.01328   -0.71711
 28 O     1.69108    0.01329   -0.71716
 29 O     0.00012    0.03554   -1.40006
 30 O    -0.00003   -0.00092    1.82716
 31 Pt   -0.00003    0.01115    0.53976
 32 Pt    0.00017   -0.11866    0.67678
 33 O    -1.60236   -0.01992    0.04528
 34 O     1.60221   -0.02005    0.04532
 35 O     0.00024   -0.01350   -0.69049
 36 O    -0.00075    0.26172    0.05556
 37 Pt   -0.00000   -0.19880   -0.06793
 38 Pt   -0.00000    0.01574    0.04473
 39 O     0.05185    0.00234   -0.00356
 40 O    -0.05069    0.00394   -0.00527
 41 O     0.00043   -0.20077   -0.47972
 42 O    -0.00156   -0.03664    0.04479
 43 Pt    0.00127   -0.13537   -0.23368
 44 Pt    0.00143    0.09427   -0.90469
 45 O    -0.08191   -0.14968    0.68303
 46 O     0.08291   -0.15229    0.68071
 47 O     0.00152    0.01887    0.11289
 48 O     0.00002    0.01911    1.17686
 49 Pt   -0.00009   -0.02530   -0.39227
 50 Pt    0.00001    0.02045   -0.44102
 51 O    -1.69132   -0.01369   -0.71798
 52 O     1.69137   -0.01370   -0.71799
 53 O     0.00015    0.00633   -1.41479
 54 O    -0.00004   -0.00201    1.78570
 55 Pt    0.00014   -0.02476    0.52733
 56 Pt    0.00006    0.06270    0.80745
 57 O    -1.61128    0.01356    0.07168
 58 O     1.61122    0.01353    0.07140
 59 O     0.00019   -0.01180   -0.59526
 60 O    -0.00024    0.01694   -0.32954
 61 Pt    0.00032   -0.12457   -0.24843
 62 Pt    0.00014   -0.00601    0.00623
 63 O     0.01907   -0.01018    0.01195
 64 O    -0.01905   -0.01010    0.01133
 65 O    -0.00024   -0.02269   -0.01782
 66 O    -0.00092   -0.00279    0.00768
 67 Pt   -0.00034    0.11280   -0.10153
 68 Pt    0.00094   -0.00204   -0.11061
 69 O    -0.05180   -0.14811    0.62828
 70 O     0.04668   -0.14610    0.62816
 71 O     0.00047   -0.02658   -0.00277
 72 N     0.06401    1.82580   -1.81523
 73 N    -0.04805   -2.71511    2.71806
 74 O     0.02797    0.93476   -0.90266

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.242980    3.161527   26.364333    ( 0.0000,  0.0000,  0.0000)
  73 N      3.263561    3.969123   25.551027    ( 0.0000,  0.0000,  0.0000)
  74 O      3.288450    4.806862   24.703236    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:17:24  -2.93   +inf  -418.763858    4      1      
iter:   2  04:22:01  -2.86  -2.55  -421.129450    4      1      
iter:   3  04:26:39  -3.15  -1.92  -418.660464    3      1      
iter:   4  04:31:16  -3.57  -2.69  -418.633269    3      1      
iter:   5  04:35:55  -3.95  -3.00  -418.602030    3      1      
iter:   6  04:40:33  -3.77  -3.20  -418.593293    3      1      
iter:   7  04:45:10  -4.36  -3.49  -418.594649    3      1      
iter:   8  04:49:48  -4.63  -3.39  -418.593555    3      1      
iter:   9  04:54:25  -4.96  -3.62  -418.592258    3      1      
iter:  10  04:59:03  -4.68  -3.46  -418.594608    3      1      
iter:  11  05:03:40  -4.36  -3.45  -418.589471    3      1      
iter:  12  05:08:19  -4.74  -3.82  -418.589676    3      1      
iter:  13  05:12:56  -5.27  -3.99  -418.589303    2      1      
iter:  14  05:17:35  -5.41  -4.20  -418.589134    2      1      
iter:  15  05:22:12  -5.75  -3.98  -418.589843    3      1      
iter:  16  05:26:50  -5.83  -3.88  -418.588908    2      1      
iter:  17  05:31:28  -6.55  -4.47  -418.589233    2      1      
iter:  18  05:36:05  -6.91  -4.40  -418.589079    2      1      
iter:  19  05:40:43  -6.75  -4.75  -418.589129    3      1      
iter:  20  05:45:20  -7.06  -4.68  -418.589138    2      1      
iter:  21  05:49:58  -6.90  -4.66  -418.589016    2      1      
iter:  22  05:54:35  -7.41  -4.53  -418.589126    2      1      

Converged after 22 iterations.

Dipole moment: (-55.903268, -33.068484, 0.033122) |e|*Ang

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

Kinetic:        +23.378542
Potential:     -140.795198
External:        +0.000000
XC:            -311.377615
Entropy (-ST):   -1.628951
Local:          +11.019621
--------------------------
Free energy:   -419.403602
Extrapolated:  -418.589126

Fermi level: -6.50966

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.57454    0.14594
  0   343     -6.57107    0.14419
  0   344     -6.56153    0.13929
  0   345     -6.55990    0.13845

  1   342     -6.48424    0.19413
  1   343     -6.48159    0.19123
  1   344     -6.43089    0.13896
  1   345     -6.39452    0.10677



Forces in eV/Ang:
  0 O    -0.00001   -0.01814    1.17988
  1 Pt   -0.00014   -0.00203   -0.39134
  2 Pt   -0.00003   -0.01910   -0.44143
  3 O    -1.68318    0.00036   -0.71773
  4 O     1.68321    0.00036   -0.71777
  5 O     0.00011   -0.04180   -1.39813
  6 O    -0.00004    0.00130    1.77498
  7 Pt   -0.00002    0.01674    0.46930
  8 Pt   -0.00008    0.05888    0.95989
  9 O    -1.58335    0.00422    0.05743
 10 O     1.58323    0.00436    0.05749
 11 O     0.00013    0.01531   -0.61924
 12 O    -0.00052   -0.32493   -0.12579
 13 Pt   -0.00054    0.42236   -0.28735
 14 Pt    0.00074   -0.02182    0.01827
 15 O     0.00423    0.00109    0.01474
 16 O    -0.00263   -0.00035    0.01284
 17 O     0.02231    0.19275   -1.15974
 18 O     0.00069   -0.00877    0.02777
 19 Pt    0.00057    0.01318    0.06631
 20 Pt   -0.00763   -0.58909    0.14961
 21 O    -0.34339    0.55102    0.36704
 22 O     0.34553    0.55027    0.36575
 23 O    -0.00006    0.02244    0.00019
 24 O     0.00002   -0.00085    1.15491
 25 Pt   -0.00016    0.02746   -0.39247
 26 Pt    0.00001   -0.00106   -0.43435
 27 O    -1.69145    0.01327   -0.71729
 28 O     1.69148    0.01328   -0.71734
 29 O     0.00012    0.03553   -1.40019
 30 O    -0.00003   -0.00091    1.82645
 31 Pt   -0.00003    0.01117    0.53922
 32 Pt    0.00017   -0.11863    0.67628
 33 O    -1.60204   -0.01993    0.04507
 34 O     1.60189   -0.02006    0.04511
 35 O     0.00024   -0.01347   -0.69079
 36 O    -0.00075    0.26191    0.05571
 37 Pt    0.00000   -0.20055   -0.06765
 38 Pt   -0.00000    0.01567    0.04518
 39 O     0.05207    0.00241   -0.00331
 40 O    -0.05090    0.00400   -0.00502
 41 O     0.00043   -0.20070   -0.47632
 42 O    -0.00156   -0.03691    0.04510
 43 Pt    0.00122   -0.13185   -0.23162
 44 Pt    0.00145    0.09373   -0.90991
 45 O    -0.08199   -0.15028    0.68377
 46 O     0.08298   -0.15291    0.68147
 47 O     0.00156    0.01824    0.11303
 48 O     0.00002    0.01913    1.17554
 49 Pt   -0.00009   -0.02532   -0.39208
 50 Pt    0.00001    0.02046   -0.44131
 51 O    -1.69171   -0.01369   -0.71817
 52 O     1.69176   -0.01370   -0.71817
 53 O     0.00015    0.00643   -1.41488
 54 O    -0.00004   -0.00200    1.78488
 55 Pt    0.00014   -0.02476    0.52684
 56 Pt    0.00006    0.06258    0.80681
 57 O    -1.61095    0.01356    0.07148
 58 O     1.61089    0.01353    0.07120
 59 O     0.00019   -0.01183   -0.59548
 60 O    -0.00024    0.01642   -0.32945
 61 Pt    0.00032   -0.12292   -0.24821
 62 Pt    0.00015   -0.00589    0.00669
 63 O     0.01931   -0.01020    0.01222
 64 O    -0.01929   -0.01012    0.01161
 65 O    -0.00024   -0.02253   -0.01773
 66 O    -0.00092   -0.00243    0.00789
 67 Pt   -0.00034    0.11067   -0.09912
 68 Pt    0.00095   -0.00384   -0.11057
 69 O    -0.05204   -0.14762    0.62897
 70 O     0.04692   -0.14558    0.62879
 71 O     0.00047   -0.02594    0.00074
 72 N     0.03634    0.50460   -0.48284
 73 N     0.02252   -0.67940    0.68715
 74 O     0.01462    0.22086   -0.17279

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.243452    3.167994   26.358253    ( 0.0000,  0.0000,  0.0000)
  73 N      3.263834    3.960757   25.559201    ( 0.0000,  0.0000,  0.0000)
  74 O      3.288639    4.809296   24.701570    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:32:30  -2.89   +inf  -418.822968    4      1      
iter:   2  06:37:09  -2.66  -2.45  -422.900036    4      1      
iter:   3  06:41:47  -2.99  -1.82  -418.646814    4      1      
iter:   4  06:46:25  -3.44  -2.68  -418.626356    4      1      
iter:   5  06:51:03  -3.88  -2.98  -418.596072    3      1      
iter:   6  06:55:41  -3.75  -3.11  -418.583043    3      1      
iter:   7  07:00:18  -4.20  -3.50  -418.582982    3      1      
iter:   8  07:04:56  -4.43  -3.54  -418.583654    3      1      
iter:   9  07:09:33  -4.76  -3.31  -418.582769    3      1      
iter:  10  07:14:10  -4.67  -3.31  -418.583015    3      1      
iter:  11  07:18:47  -4.45  -3.51  -418.578284    3      1      
iter:  12  07:23:25  -4.81  -3.96  -418.578592    3      1      
iter:  13  07:28:02  -5.32  -4.04  -418.578285    3      1      
iter:  14  07:32:40  -5.39  -4.19  -418.578281    3      1      
iter:  15  07:37:18  -5.83  -4.14  -418.578281    3      1      
iter:  16  07:41:55  -6.09  -4.11  -418.578215    3      1      
iter:  17  07:46:32  -6.55  -4.58  -418.578344    2      1      
iter:  18  07:51:10  -6.59  -4.60  -418.577808    3      1      
iter:  19  07:55:46  -6.97  -4.44  -418.578138    2      1      
iter:  20  08:00:21  -7.34  -4.91  -418.578135    2      1      
iter:  21  08:04:56  -7.61  -4.94  -418.578138    2      1      

Converged after 21 iterations.

Dipole moment: (-55.903668, -33.087825, 0.067532) |e|*Ang

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

Kinetic:        +24.850009
Potential:     -141.972601
External:        +0.000000
XC:            -311.664678
Entropy (-ST):   -1.629059
Local:          +11.023661
--------------------------
Free energy:   -419.392668
Extrapolated:  -418.578138

Fermi level: -6.48075

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.54571    0.14598
  0   343     -6.54220    0.14421
  0   344     -6.53264    0.13931
  0   345     -6.53102    0.13847

  1   342     -6.45543    0.19424
  1   343     -6.45250    0.19104
  1   344     -6.40199    0.13897
  1   345     -6.36571    0.10685



Forces in eV/Ang:
  0 O    -0.00001   -0.01816    1.17921
  1 Pt   -0.00014   -0.00203   -0.39081
  2 Pt   -0.00003   -0.01914   -0.44137
  3 O    -1.68320    0.00038   -0.71781
  4 O     1.68322    0.00038   -0.71784
  5 O     0.00011   -0.04185   -1.39825
  6 O    -0.00004    0.00133    1.77544
  7 Pt   -0.00002    0.01674    0.46925
  8 Pt   -0.00008    0.05907    0.95992
  9 O    -1.58331    0.00422    0.05739
 10 O     1.58319    0.00436    0.05746
 11 O     0.00013    0.01533   -0.61935
 12 O    -0.00052   -0.32466   -0.12567
 13 Pt   -0.00054    0.42262   -0.28752
 14 Pt    0.00074   -0.02197    0.01798
 15 O     0.00425    0.00111    0.01464
 16 O    -0.00265   -0.00033    0.01275
 17 O     0.02230    0.19253   -1.16230
 18 O     0.00069   -0.00865    0.02761
 19 Pt    0.00058    0.01221    0.06555
 20 Pt   -0.00760   -0.58715    0.15107
 21 O    -0.34294    0.55098    0.36732
 22 O     0.34509    0.55022    0.36604
 23 O    -0.00005    0.02222    0.00312
 24 O     0.00002   -0.00086    1.15423
 25 Pt   -0.00016    0.02744   -0.39193
 26 Pt    0.00001   -0.00107   -0.43423
 27 O    -1.69144    0.01323   -0.71737
 28 O     1.69147    0.01324   -0.71742
 29 O     0.00012    0.03553   -1.40028
 30 O    -0.00003   -0.00087    1.82714
 31 Pt   -0.00003    0.01116    0.53916
 32 Pt    0.00017   -0.11859    0.67641
 33 O    -1.60208   -0.01993    0.04503
 34 O     1.60192   -0.02006    0.04506
 35 O     0.00024   -0.01343   -0.69095
 36 O    -0.00075    0.26200    0.05563
 37 Pt    0.00000   -0.20224   -0.06799
 38 Pt   -0.00000    0.01555    0.04466
 39 O     0.05210    0.00237   -0.00342
 40 O    -0.05094    0.00396   -0.00513
 41 O     0.00043   -0.20053   -0.47167
 42 O    -0.00156   -0.03700    0.04513
 43 Pt    0.00117   -0.12874   -0.23004
 44 Pt    0.00150    0.09245   -0.90857
 45 O    -0.08172   -0.15085    0.68475
 46 O     0.08271   -0.15348    0.68248
 47 O     0.00161    0.01778    0.11107
 48 O     0.00002    0.01918    1.17487
 49 Pt   -0.00009   -0.02532   -0.39152
 50 Pt    0.00001    0.02052   -0.44123
 51 O    -1.69169   -0.01367   -0.71824
 52 O     1.69174   -0.01367   -0.71825
 53 O     0.00015    0.00648   -1.41501
 54 O    -0.00004   -0.00206    1.78541
 55 Pt    0.00014   -0.02475    0.52679
 56 Pt    0.00006    0.06233    0.80685
 57 O    -1.61099    0.01356    0.07143
 58 O     1.61093    0.01353    0.07115
 59 O     0.00019   -0.01189   -0.59559
 60 O    -0.00024    0.01586   -0.32943
 61 Pt    0.00032   -0.12129   -0.24856
 62 Pt    0.00015   -0.00562    0.00625
 63 O     0.01941   -0.01017    0.01214
 64 O    -0.01939   -0.01009    0.01152
 65 O    -0.00024   -0.02229   -0.01868
 66 O    -0.00092   -0.00240    0.00786
 67 Pt   -0.00033    0.10888   -0.09725
 68 Pt    0.00095   -0.00581   -0.10939
 69 O    -0.05180   -0.14674    0.62855
 70 O     0.04668   -0.14469    0.62836
 71 O     0.00046   -0.02534    0.00183
 72 N    -0.02536   -1.08009    1.11296
 73 N     0.03997    1.50093   -1.53976
 74 O     0.00333   -0.43176    0.48883

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.243672    3.167722   26.358955    ( 0.0000,  0.0000,  0.0000)
  73 N      3.264192    3.961462   25.558101    ( 0.0000,  0.0000,  0.0000)
  74 O      3.288799    4.809143   24.702563    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:19:56  -4.66   +inf  -418.588984    3      1      
iter:   2  08:24:33  -4.03  -3.14  -418.828611    3      1      
iter:   3  08:29:10  -4.23  -2.40  -418.583118    2      1      
iter:   4  08:33:47  -4.95  -4.11  -418.581880    3      1      
iter:   5  08:38:25  -5.24  -4.04  -418.582902    3      1      
iter:   6  08:43:02  -5.91  -4.12  -418.582192    2      1      
iter:   7  08:47:39  -6.37  -4.51  -418.582300    2      1      
iter:   8  08:52:16  -6.65  -4.51  -418.582240    2      1      
iter:   9  08:56:53  -6.44  -4.51  -418.582135    2      1      
iter:  10  09:01:29  -6.37  -4.26  -418.582208    3      1      
iter:  11  09:06:06  -6.72  -4.94  -418.582170    2      1      
iter:  12  09:10:43  -6.92  -5.01  -418.582244    2      1      
iter:  13  09:15:20  -7.43  -5.11  -418.582193    2      1      

Converged after 13 iterations.

Dipole moment: (-55.903536, -33.086080, 0.066399) |e|*Ang

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

Kinetic:        +24.779773
Potential:     -141.928041
External:        +0.000000
XC:            -311.647657
Entropy (-ST):   -1.629050
Local:          +11.028257
--------------------------
Free energy:   -419.396718
Extrapolated:  -418.582193

Fermi level: -6.48192

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.54681    0.14595
  0   343     -6.54333    0.14420
  0   344     -6.53388    0.13935
  0   345     -6.53220    0.13847

  1   342     -6.45663    0.19427
  1   343     -6.45364    0.19101
  1   344     -6.40321    0.13902
  1   345     -6.36685    0.10683



Forces in eV/Ang:
  0 O    -0.00001   -0.01814    1.17968
  1 Pt   -0.00014   -0.00204   -0.39071
  2 Pt   -0.00003   -0.01909   -0.44155
  3 O    -1.68281    0.00036   -0.71784
  4 O     1.68284    0.00036   -0.71788
  5 O     0.00011   -0.04182   -1.39803
  6 O    -0.00004    0.00137    1.77706
  7 Pt   -0.00002    0.01679    0.47007
  8 Pt   -0.00008    0.05909    0.96058
  9 O    -1.58328    0.00426    0.05750
 10 O     1.58316    0.00440    0.05756
 11 O     0.00013    0.01534   -0.61891
 12 O    -0.00052   -0.32447   -0.12562
 13 Pt   -0.00054    0.42255   -0.28744
 14 Pt    0.00074   -0.02198    0.01754
 15 O     0.00411    0.00113    0.01418
 16 O    -0.00251   -0.00031    0.01228
 17 O     0.02229    0.19258   -1.16057
 18 O     0.00069   -0.00868    0.02775
 19 Pt    0.00058    0.01221    0.06448
 20 Pt   -0.00761   -0.58740    0.15024
 21 O    -0.34333    0.55103    0.36669
 22 O     0.34548    0.55028    0.36540
 23 O    -0.00005    0.02195    0.00051
 24 O     0.00002   -0.00084    1.15473
 25 Pt   -0.00016    0.02747   -0.39181
 26 Pt    0.00001   -0.00105   -0.43446
 27 O    -1.69107    0.01328   -0.71739
 28 O     1.69111    0.01329   -0.71744
 29 O     0.00012    0.03551   -1.40009
 30 O    -0.00003   -0.00091    1.82842
 31 Pt   -0.00003    0.01112    0.53988
 32 Pt    0.00017   -0.11865    0.67698
 33 O    -1.60205   -0.01998    0.04511
 34 O     1.60189   -0.02011    0.04515
 35 O     0.00024   -0.01347   -0.69059
 36 O    -0.00075    0.26195    0.05570
 37 Pt   -0.00000   -0.20188   -0.06736
 38 Pt   -0.00000    0.01557    0.04444
 39 O     0.05205    0.00231   -0.00374
 40 O    -0.05088    0.00391   -0.00545
 41 O     0.00042   -0.20050   -0.46890
 42 O    -0.00156   -0.03685    0.04507
 43 Pt    0.00120   -0.12919   -0.23204
 44 Pt    0.00151    0.09280   -0.90699
 45 O    -0.08221   -0.15061    0.68221
 46 O     0.08321   -0.15323    0.67994
 47 O     0.00161    0.01800    0.10995
 48 O     0.00002    0.01913    1.17534
 49 Pt   -0.00009   -0.02533   -0.39143
 50 Pt    0.00001    0.02044   -0.44145
 51 O    -1.69134   -0.01369   -0.71827
 52 O     1.69139   -0.01370   -0.71828
 53 O     0.00015    0.00647   -1.41482
 54 O    -0.00004   -0.00206    1.78687
 55 Pt    0.00014   -0.02476    0.52747
 56 Pt    0.00006    0.06238    0.80751
 57 O    -1.61092    0.01357    0.07151
 58 O     1.61087    0.01355    0.07123
 59 O     0.00019   -0.01186   -0.59515
 60 O    -0.00023    0.01574   -0.32919
 61 Pt    0.00031   -0.12162   -0.24807
 62 Pt    0.00015   -0.00563    0.00587
 63 O     0.01938   -0.01014    0.01174
 64 O    -0.01936   -0.01005    0.01113
 65 O    -0.00024   -0.02237   -0.01703
 66 O    -0.00093   -0.00253    0.00795
 67 Pt   -0.00032    0.10932   -0.09883
 68 Pt    0.00094   -0.00553   -0.11054
 69 O    -0.05191   -0.14684    0.62751
 70 O     0.04678   -0.14481    0.62733
 71 O     0.00047   -0.02528   -0.00012
 72 N    -0.02001   -0.91466    0.93403
 73 N     0.03429    1.27192   -1.29447
 74 O     0.00763   -0.34059    0.39370

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.243937    3.168517   26.358461    ( 0.0000,  0.0000,  0.0000)
  73 N      3.264502    3.960384   25.558873    ( 0.0000,  0.0000,  0.0000)
  74 O      3.289029    4.809927   24.702654    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:06:49  -4.71   +inf  -418.582123    3      1      
iter:   2  10:11:26  -4.68  -3.47  -418.616819    3      1      
iter:   3  10:16:05  -4.82  -2.79  -418.577267    3      1      
iter:   4  10:20:45  -5.28  -3.58  -418.579200    3      1      
iter:   5  10:25:24  -5.59  -4.04  -418.577894    3      1      
iter:   6  10:30:01  -5.88  -4.14  -418.578027    2      1      
iter:   7  10:34:38  -6.17  -4.61  -418.578097    3      1      
iter:   8  10:39:15  -6.08  -4.43  -418.578036    3      1      
iter:   9  10:43:53  -6.61  -4.80  -418.578095    2      1      
iter:  10  10:48:30  -6.99  -4.87  -418.577953    2      1      
iter:  11  10:53:05  -7.04  -4.84  -418.578075    2      1      
iter:  12  10:57:41  -7.39  -5.00  -418.578015    2      1      
iter:  13  11:02:18  -7.70  -4.79  -418.578014    2      1      

Converged after 13 iterations.

Dipole moment: (-55.903550, -33.087878, 0.068411) |e|*Ang

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

Kinetic:        +24.976889
Potential:     -142.087379
External:        +0.000000
XC:            -311.678475
Entropy (-ST):   -1.629048
Local:          +11.025474
--------------------------
Free energy:   -419.392538
Extrapolated:  -418.578014

Fermi level: -6.47992

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.54481    0.14595
  0   343     -6.54135    0.14420
  0   344     -6.53191    0.13936
  0   345     -6.53022    0.13848

  1   342     -6.45464    0.19428
  1   343     -6.45164    0.19101
  1   344     -6.40121    0.13902
  1   345     -6.36489    0.10686



Forces in eV/Ang:
  0 O    -0.00000   -0.01815    1.17994
  1 Pt   -0.00014   -0.00203   -0.39048
  2 Pt   -0.00003   -0.01912   -0.44135
  3 O    -1.68256    0.00036   -0.71805
  4 O     1.68259    0.00036   -0.71809
  5 O     0.00011   -0.04182   -1.39844
  6 O    -0.00004    0.00137    1.77736
  7 Pt   -0.00002    0.01675    0.47008
  8 Pt   -0.00008    0.05913    0.96048
  9 O    -1.58333    0.00423    0.05770
 10 O     1.58321    0.00437    0.05776
 11 O     0.00013    0.01535   -0.61906
 12 O    -0.00052   -0.32444   -0.12532
 13 Pt   -0.00054    0.42258   -0.28707
 14 Pt    0.00074   -0.02195    0.01831
 15 O     0.00417    0.00112    0.01456
 16 O    -0.00257   -0.00032    0.01266
 17 O     0.02229    0.19258   -1.16152
 18 O     0.00069   -0.00864    0.02826
 19 Pt    0.00058    0.01220    0.06317
 20 Pt   -0.00760   -0.58746    0.14687
 21 O    -0.34310    0.55110    0.36720
 22 O     0.34524    0.55034    0.36592
 23 O    -0.00005    0.02158   -0.00122
 24 O     0.00002   -0.00085    1.15498
 25 Pt   -0.00016    0.02745   -0.39157
 26 Pt    0.00001   -0.00105   -0.43422
 27 O    -1.69081    0.01325   -0.71760
 28 O     1.69084    0.01326   -0.71765
 29 O     0.00012    0.03551   -1.40046
 30 O    -0.00003   -0.00088    1.82898
 31 Pt   -0.00003    0.01119    0.53994
 32 Pt    0.00017   -0.11861    0.67698
 33 O    -1.60210   -0.01993    0.04535
 34 O     1.60195   -0.02006    0.04538
 35 O     0.00024   -0.01343   -0.69066
 36 O    -0.00075    0.26203    0.05585
 37 Pt    0.00000   -0.20236   -0.06728
 38 Pt   -0.00000    0.01558    0.04499
 39 O     0.05206    0.00234   -0.00336
 40 O    -0.05090    0.00394   -0.00507
 41 O     0.00043   -0.20055   -0.46969
 42 O    -0.00156   -0.03700    0.04566
 43 Pt    0.00119   -0.12893   -0.23403
 44 Pt    0.00148    0.09254   -0.91281
 45 O    -0.08214   -0.15071    0.68200
 46 O     0.08313   -0.15332    0.67974
 47 O     0.00166    0.01786    0.10744
 48 O     0.00003    0.01915    1.17559
 49 Pt   -0.00009   -0.02532   -0.39117
 50 Pt    0.00001    0.02048   -0.44123
 51 O    -1.69107   -0.01367   -0.71848
 52 O     1.69112   -0.01368   -0.71849
 53 O     0.00015    0.00647   -1.41521
 54 O    -0.00004   -0.00209    1.78726
 55 Pt    0.00014   -0.02479    0.52756
 56 Pt    0.00006    0.06229    0.80742
 57 O    -1.61099    0.01355    0.07174
 58 O     1.61093    0.01352    0.07146
 59 O     0.00019   -0.01191   -0.59525
 60 O    -0.00023    0.01562   -0.32897
 61 Pt    0.00031   -0.12114   -0.24801
 62 Pt    0.00015   -0.00566    0.00654
 63 O     0.01936   -0.01017    0.01210
 64 O    -0.01934   -0.01009    0.01149
 65 O    -0.00025   -0.02235   -0.01746
 66 O    -0.00093   -0.00241    0.00850
 67 Pt   -0.00032    0.10916   -0.10061
 68 Pt    0.00095   -0.00553   -0.11316
 69 O    -0.05169   -0.14665    0.62726
 70 O     0.04656   -0.14463    0.62711
 71 O     0.00048   -0.02482   -0.00168
 72 N    -0.02710   -1.11401    1.12702
 73 N     0.03644    1.52047   -1.54591
 74 O     0.00973   -0.42083    0.47213

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.244124    3.166804   26.360534    ( 0.0000,  0.0000,  0.0000)
  73 N      3.264854    3.962438   25.556597    ( 0.0000,  0.0000,  0.0000)
  74 O      3.289335    4.810036   24.703577    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:02:51  -3.98   +inf  -418.599309    4      1      
iter:   2  12:07:31  -3.84  -3.03  -418.899883    3      1      
iter:   3  12:12:10  -4.09  -2.35  -418.600459    2      1      
iter:   4  12:16:50  -4.56  -3.23  -418.588388    3      1      
iter:   5  12:21:29  -4.79  -3.59  -418.587645    3      1      
iter:   6  12:26:07  -5.23  -4.00  -418.588143    3      1      
iter:   7  12:30:46  -5.39  -3.83  -418.587507    3      1      
iter:   8  12:35:23  -5.65  -4.27  -418.587400    3      1      
iter:   9  12:40:03  -5.52  -4.12  -418.587623    3      1      
iter:  10  12:44:41  -5.61  -4.11  -418.586791    2      1      
iter:  11  12:49:20  -6.05  -4.33  -418.587027    3      1      
iter:  12  12:54:00  -6.50  -4.56  -418.586953    2      1      
iter:  13  12:58:35  -6.70  -4.65  -418.587078    2      1      
iter:  14  13:03:12  -6.94  -4.49  -418.587066    2      1      
iter:  15  13:07:48  -7.27  -4.90  -418.587032    2      1      
iter:  16  13:12:23  -7.73  -4.76  -418.587130    2      1      

Converged after 16 iterations.

Dipole moment: (-55.903433, -33.083907, 0.064338) |e|*Ang

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

Kinetic:        +24.475635
Potential:     -141.694488
External:        +0.000000
XC:            -311.581748
Entropy (-ST):   -1.628845
Local:          +11.027893
--------------------------
Free energy:   -419.401552
Extrapolated:  -418.587130

Fermi level: -6.48388

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.54879    0.14596
  0   343     -6.54528    0.14419
  0   344     -6.53585    0.13935
  0   345     -6.53417    0.13848

  1   342     -6.45845    0.19412
  1   343     -6.45562    0.19104
  1   344     -6.40519    0.13904
  1   345     -6.36879    0.10681



Forces in eV/Ang:
  0 O    -0.00001   -0.01813    1.18010
  1 Pt   -0.00014   -0.00203   -0.39069
  2 Pt   -0.00003   -0.01909   -0.44127
  3 O    -1.68317    0.00036   -0.71757
  4 O     1.68320    0.00036   -0.71761
  5 O     0.00011   -0.04180   -1.39841
  6 O    -0.00004    0.00132    1.77520
  7 Pt   -0.00002    0.01676    0.46948
  8 Pt   -0.00008    0.05903    0.95979
  9 O    -1.58324    0.00424    0.05742
 10 O     1.58312    0.00437    0.05749
 11 O     0.00013    0.01535   -0.61897
 12 O    -0.00052   -0.32457   -0.12599
 13 Pt   -0.00054    0.42256   -0.28701
 14 Pt    0.00074   -0.02186    0.01832
 15 O     0.00417    0.00109    0.01455
 16 O    -0.00256   -0.00035    0.01265
 17 O     0.02232    0.19272   -1.15917
 18 O     0.00070   -0.00876    0.02764
 19 Pt    0.00058    0.01219    0.06294
 20 Pt   -0.00761   -0.58828    0.14700
 21 O    -0.34383    0.55126    0.36519
 22 O     0.34598    0.55050    0.36390
 23 O    -0.00006    0.02185   -0.00061
 24 O     0.00002   -0.00086    1.15514
 25 Pt   -0.00016    0.02744   -0.39182
 26 Pt    0.00001   -0.00106   -0.43419
 27 O    -1.69145    0.01327   -0.71713
 28 O     1.69148    0.01328   -0.71718
 29 O     0.00012    0.03553   -1.40050
 30 O    -0.00003   -0.00091    1.82662
 31 Pt   -0.00003    0.01116    0.53937
 32 Pt    0.00017   -0.11862    0.67623
 33 O    -1.60198   -0.01995    0.04507
 34 O     1.60183   -0.02008    0.04511
 35 O     0.00024   -0.01347   -0.69055
 36 O    -0.00076    0.26204    0.05527
 37 Pt    0.00000   -0.20156   -0.06673
 38 Pt   -0.00000    0.01563    0.04526
 39 O     0.05205    0.00238   -0.00336
 40 O    -0.05089    0.00398   -0.00507
 41 O     0.00042   -0.20063   -0.46901
 42 O    -0.00156   -0.03682    0.04507
 43 Pt    0.00119   -0.12953   -0.23462
 44 Pt    0.00153    0.09354   -0.90955
 45 O    -0.08264   -0.15046    0.67974
 46 O     0.08364   -0.15307    0.67746
 47 O     0.00161    0.01817    0.10990
 48 O     0.00002    0.01914    1.17576
 49 Pt   -0.00009   -0.02531   -0.39141
 50 Pt    0.00001    0.02045   -0.44115
 51 O    -1.69171   -0.01369   -0.71802
 52 O     1.69175   -0.01370   -0.71802
 53 O     0.00015    0.00644   -1.41519
 54 O    -0.00004   -0.00201    1.78511
 55 Pt    0.00014   -0.02477    0.52697
 56 Pt    0.00006    0.06241    0.80673
 57 O    -1.61089    0.01356    0.07147
 58 O     1.61083    0.01354    0.07119
 59 O     0.00019   -0.01187   -0.59523
 60 O    -0.00024    0.01581   -0.32964
 61 Pt    0.00031   -0.12197   -0.24759
 62 Pt    0.00015   -0.00581    0.00666
 63 O     0.01931   -0.01017    0.01214
 64 O    -0.01929   -0.01009    0.01153
 65 O    -0.00024   -0.02247   -0.01620
 66 O    -0.00093   -0.00248    0.00778
 67 Pt   -0.00034    0.10963   -0.10090
 68 Pt    0.00095   -0.00507   -0.11359
 69 O    -0.05223   -0.14717    0.62597
 70 O     0.04711   -0.14515    0.62579
 71 O     0.00047   -0.02534   -0.00102
 72 N    -0.00626   -0.64655    0.65383
 73 N     0.03333    0.94848   -0.93644
 74 O     0.01692   -0.27109    0.32522

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.244494    3.167154   26.360238    ( 0.0000,  0.0000,  0.0000)
  73 N      3.265285    3.962066   25.556912    ( 0.0000,  0.0000,  0.0000)
  74 O      3.289758    4.810499   24.704190    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:03:28  -5.14   +inf  -418.586007    3      1      
iter:   2  14:08:05  -4.50  -3.38  -418.670678    3      1      
iter:   3  14:12:42  -4.63  -2.65  -418.588758    3      1      
iter:   4  14:17:20  -5.27  -3.73  -418.586013    3      1      
iter:   5  14:21:59  -5.84  -4.45  -418.585844    3      1      
iter:   6  14:26:37  -6.20  -4.54  -418.586012    3      1      
iter:   7  14:31:14  -6.44  -4.44  -418.585955    2      1      
iter:   8  14:35:52  -6.86  -4.85  -418.586005    2      1      
iter:   9  14:40:30  -6.82  -4.92  -418.586072    2      1      
iter:  10  14:45:07  -7.66  -4.92  -418.585964    2      1      

Converged after 10 iterations.

Dipole moment: (-55.903465, -33.083195, 0.058153) |e|*Ang

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

Kinetic:        +24.630613
Potential:     -141.819882
External:        +0.000000
XC:            -311.608276
Entropy (-ST):   -1.629138
Local:          +11.026150
--------------------------
Free energy:   -419.400533
Extrapolated:  -418.585964

Fermi level: -6.48844

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.55334    0.14595
  0   343     -6.54988    0.14421
  0   344     -6.54036    0.13933
  0   345     -6.53871    0.13847

  1   342     -6.46320    0.19433
  1   343     -6.46024    0.19110
  1   344     -6.40968    0.13898
  1   345     -6.37339    0.10684



Forces in eV/Ang:
  0 O    -0.00001   -0.01813    1.18053
  1 Pt   -0.00014   -0.00204   -0.38968
  2 Pt   -0.00003   -0.01908   -0.44026
  3 O    -1.68267    0.00036   -0.71738
  4 O     1.68269    0.00036   -0.71742
  5 O     0.00011   -0.04181   -1.39773
  6 O    -0.00004    0.00132    1.77778
  7 Pt   -0.00002    0.01677    0.47085
  8 Pt   -0.00008    0.05904    0.96113
  9 O    -1.58367    0.00422    0.05839
 10 O     1.58355    0.00436    0.05845
 11 O     0.00013    0.01535   -0.61842
 12 O    -0.00052   -0.32462   -0.12520
 13 Pt   -0.00054    0.42253   -0.28756
 14 Pt    0.00074   -0.02182    0.01747
 15 O     0.00386    0.00113    0.01452
 16 O    -0.00225   -0.00031    0.01262
 17 O     0.02231    0.19287   -1.16194
 18 O     0.00069   -0.00876    0.02778
 19 Pt    0.00059    0.01231    0.06198
 20 Pt   -0.00763   -0.58856    0.14371
 21 O    -0.34337    0.55115    0.36547
 22 O     0.34551    0.55040    0.36420
 23 O    -0.00004    0.02146   -0.00298
 24 O     0.00002   -0.00086    1.15555
 25 Pt   -0.00016    0.02745   -0.39081
 26 Pt    0.00001   -0.00106   -0.43320
 27 O    -1.69094    0.01329   -0.71693
 28 O     1.69097    0.01329   -0.71698
 29 O     0.00012    0.03552   -1.39977
 30 O    -0.00003   -0.00093    1.82916
 31 Pt   -0.00003    0.01116    0.54077
 32 Pt    0.00017   -0.11865    0.67764
 33 O    -1.60240   -0.01995    0.04606
 34 O     1.60225   -0.02009    0.04610
 35 O     0.00024   -0.01348   -0.68997
 36 O    -0.00075    0.26194    0.05617
 37 Pt   -0.00000   -0.20186   -0.06774
 38 Pt   -0.00000    0.01557    0.04431
 39 O     0.05177    0.00235   -0.00335
 40 O    -0.05061    0.00395   -0.00506
 41 O     0.00043   -0.20079   -0.47333
 42 O    -0.00155   -0.03688    0.04516
 43 Pt    0.00123   -0.12949   -0.23557
 44 Pt    0.00147    0.09345   -0.91479
 45 O    -0.08235   -0.15069    0.68119
 46 O     0.08333   -0.15329    0.67897
 47 O     0.00172    0.01823    0.10690
 48 O     0.00002    0.01914    1.17618
 49 Pt   -0.00009   -0.02531   -0.39042
 50 Pt    0.00001    0.02045   -0.44016
 51 O    -1.69121   -0.01370   -0.71781
 52 O     1.69126   -0.01370   -0.71782
 53 O     0.00015    0.00645   -1.41450
 54 O    -0.00004   -0.00199    1.78760
 55 Pt    0.00014   -0.02479    0.52837
 56 Pt    0.00006    0.06243    0.80805
 57 O    -1.61131    0.01358    0.07243
 58 O     1.61125    0.01355    0.07215
 59 O     0.00019   -0.01186   -0.59467
 60 O    -0.00024    0.01597   -0.32888
 61 Pt    0.00031   -0.12164   -0.24844
 62 Pt    0.00015   -0.00579    0.00591
 63 O     0.01902   -0.01018    0.01213
 64 O    -0.01900   -0.01010    0.01152
 65 O    -0.00024   -0.02246   -0.01907
 66 O    -0.00092   -0.00243    0.00802
 67 Pt   -0.00031    0.10953   -0.10217
 68 Pt    0.00095   -0.00499   -0.11587
 69 O    -0.05174   -0.14683    0.62581
 70 O     0.04659   -0.14483    0.62572
 71 O     0.00049   -0.02505   -0.00299
 72 N    -0.00730   -0.71248    0.71203
 73 N     0.03649    0.99761   -0.98458
 74 O     0.02356   -0.26482    0.32135

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.244713    3.164024   26.362722    ( 0.0000,  0.0000,  0.0000)
  73 N      3.265709    3.965689   25.553314    ( 0.0000,  0.0000,  0.0000)
  74 O      3.290193    4.809676   24.705561    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -3.58   +inf  -418.611395    4      1      
iter:   2  16:04:21  -3.78  -3.02  -418.857998    3      1      
iter:   3  16:08:58  -3.96  -2.38  -418.614352    2      1      
iter:   4  16:13:35  -4.24  -3.07  -418.595879    3      1      
iter:   5  16:18:13  -4.38  -3.27  -418.594435    3      1      
iter:   6  16:22:51  -4.90  -3.70  -418.594166    3      1      
iter:   7  16:27:29  -4.94  -3.72  -418.593048    3      1      
iter:   8  16:32:07  -5.21  -3.95  -418.593366    3      1      
iter:   9  16:36:44  -5.31  -3.76  -418.592726    3      1      
iter:  10  16:41:22  -5.24  -4.08  -418.591626    3      1      
iter:  11  16:46:00  -5.67  -4.01  -418.592333    3      1      
iter:  12  16:50:37  -6.04  -4.35  -418.592179    2      1      
iter:  13  16:55:14  -6.16  -4.46  -418.592272    2      1      
iter:  14  16:59:52  -6.34  -4.76  -418.592338    2      1      
iter:  15  17:04:31  -6.92  -4.53  -418.592203    2      1      
iter:  16  17:09:05  -7.18  -4.58  -418.592304    3      1      
iter:  17  17:13:41  -7.14  -4.86  -418.592203    2      1      
iter:  18  17:18:16  -7.57  -5.00  -418.592270    2      1      

Converged after 18 iterations.

Dipole moment: (-55.903221, -33.075229, 0.047197) |e|*Ang

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

Kinetic:        +23.964795
Potential:     -141.289154
External:        +0.000000
XC:            -311.480539
Entropy (-ST):   -1.628948
Local:          +11.027101
--------------------------
Free energy:   -419.406744
Extrapolated:  -418.592270

Fermi level: -6.49819

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56306    0.14594
  0   343     -6.55960    0.14420
  0   344     -6.55009    0.13932
  0   345     -6.54845    0.13846

  1   342     -6.47278    0.19415
  1   343     -6.47006    0.19118
  1   344     -6.41944    0.13898
  1   345     -6.38309    0.10680



Forces in eV/Ang:
  0 O    -0.00001   -0.01812    1.18052
  1 Pt   -0.00014   -0.00205   -0.39065
  2 Pt   -0.00003   -0.01909   -0.44121
  3 O    -1.68305    0.00034   -0.71761
  4 O     1.68308    0.00034   -0.71764
  5 O     0.00011   -0.04181   -1.39839
  6 O    -0.00004    0.00128    1.77565
  7 Pt   -0.00002    0.01674    0.46935
  8 Pt   -0.00008    0.05893    0.95987
  9 O    -1.58331    0.00423    0.05750
 10 O     1.58319    0.00437    0.05756
 11 O     0.00013    0.01532   -0.61942
 12 O    -0.00052   -0.32456   -0.12557
 13 Pt   -0.00054    0.42248   -0.28740
 14 Pt    0.00074   -0.02173    0.01828
 15 O     0.00445    0.00101    0.01452
 16 O    -0.00285   -0.00043    0.01262
 17 O     0.02231    0.19275   -1.16106
 18 O     0.00069   -0.00867    0.02807
 19 Pt    0.00057    0.01259    0.06280
 20 Pt   -0.00761   -0.58879    0.14644
 21 O    -0.34326    0.55105    0.36520
 22 O     0.34540    0.55029    0.36392
 23 O    -0.00007    0.02199   -0.00248
 24 O     0.00002   -0.00084    1.15555
 25 Pt   -0.00016    0.02744   -0.39181
 26 Pt    0.00001   -0.00104   -0.43420
 27 O    -1.69134    0.01329   -0.71716
 28 O     1.69137    0.01330   -0.71721
 29 O     0.00012    0.03551   -1.40051
 30 O    -0.00003   -0.00097    1.82695
 31 Pt   -0.00003    0.01116    0.53929
 32 Pt    0.00017   -0.11867    0.67635
 33 O    -1.60201   -0.01996    0.04516
 34 O     1.60186   -0.02009    0.04520
 35 O     0.00024   -0.01351   -0.69080
 36 O    -0.00075    0.26204    0.05561
 37 Pt   -0.00000   -0.20105   -0.06740
 38 Pt   -0.00000    0.01571    0.04513
 39 O     0.05228    0.00243   -0.00352
 40 O    -0.05111    0.00403   -0.00522
 41 O     0.00043   -0.20058   -0.47424
 42 O    -0.00155   -0.03691    0.04525
 43 Pt    0.00120   -0.13108   -0.23524
 44 Pt    0.00153    0.09386   -0.90922
 45 O    -0.08228   -0.15021    0.68056
 46 O     0.08327   -0.15282    0.67825
 47 O     0.00162    0.01823    0.11037
 48 O     0.00002    0.01911    1.17619
 49 Pt   -0.00009   -0.02529   -0.39143
 50 Pt    0.00001    0.02044   -0.44114
 51 O    -1.69161   -0.01368   -0.71805
 52 O     1.69166   -0.01369   -0.71806
 53 O     0.00015    0.00646   -1.41516
 54 O    -0.00004   -0.00191    1.78546
 55 Pt    0.00014   -0.02476    0.52693
 56 Pt    0.00006    0.06256    0.80677
 57 O    -1.61091    0.01358    0.07156
 58 O     1.61085    0.01356    0.07128
 59 O     0.00019   -0.01179   -0.59562
 60 O    -0.00024    0.01585   -0.32922
 61 Pt    0.00031   -0.12246   -0.24813
 62 Pt    0.00014   -0.00603    0.00669
 63 O     0.01950   -0.01016    0.01205
 64 O    -0.01948   -0.01007    0.01144
 65 O    -0.00024   -0.02265   -0.01844
 66 O    -0.00092   -0.00255    0.00813
 67 Pt   -0.00035    0.11063   -0.10211
 68 Pt    0.00096   -0.00436   -0.11416
 69 O    -0.05191   -0.14733    0.62609
 70 O     0.04678   -0.14531    0.62596
 71 O     0.00047   -0.02548   -0.00194
 72 N     0.01831    0.00088    0.00019
 73 N     0.02491    0.04858   -0.00720
 74 O     0.02729    0.02978    0.02550

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.244988    3.161158   26.364431    ( 0.0000,  0.0000,  0.0000)
  73 N      3.266159    3.968528   25.550450    ( 0.0000,  0.0000,  0.0000)
  74 O      3.290698    4.809248   24.706368    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -3.77   +inf  -418.598298    4      1      
iter:   2  17:46:41  -4.02  -3.09  -418.686687    4      1      
iter:   3  17:51:19  -4.19  -2.63  -418.628924    3      1      
iter:   4  17:55:56  -4.47  -2.85  -418.591818    3      1      
iter:   5  18:00:34  -4.62  -3.48  -418.590231    3      1      
iter:   6  18:05:12  -5.07  -3.83  -418.590617    3      1      
iter:   7  18:09:50  -5.23  -3.75  -418.589633    3      1      
iter:   8  18:14:28  -5.42  -4.16  -418.589675    3      1      
iter:   9  18:19:06  -5.27  -4.14  -418.588993    3      1      
iter:  10  18:23:45  -5.71  -4.28  -418.589387    3      1      
iter:  11  18:28:22  -5.96  -4.19  -418.588859    2      1      
iter:  12  18:33:00  -6.29  -4.33  -418.589002    2      1      
iter:  13  18:37:38  -6.44  -4.60  -418.589104    2      1      
iter:  14  18:42:15  -6.78  -4.53  -418.589035    2      1      
iter:  15  18:46:52  -7.18  -4.93  -418.589070    2      1      
iter:  16  18:51:29  -7.19  -4.86  -418.588993    3      1      
iter:  17  18:56:07  -7.48  -5.11  -418.589106    2      1      

Converged after 17 iterations.

Dipole moment: (-55.903041, -33.068432, 0.034930) |e|*Ang

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

Kinetic:        +23.463700
Potential:     -140.884397
External:        +0.000000
XC:            -311.379197
Entropy (-ST):   -1.628825
Local:          +11.025201
--------------------------
Free energy:   -419.403518
Extrapolated:  -418.589106

Fermi level: -6.50867

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.57360    0.14597
  0   343     -6.57008    0.14419
  0   344     -6.56044    0.13925
  0   345     -6.55888    0.13843

  1   342     -6.48313    0.19400
  1   343     -6.48064    0.19127
  1   344     -6.42986    0.13892
  1   345     -6.39352    0.10676



Forces in eV/Ang:
  0 O    -0.00001   -0.01814    1.18102
  1 Pt   -0.00014   -0.00205   -0.39123
  2 Pt   -0.00003   -0.01912   -0.44144
  3 O    -1.68381    0.00034   -0.71754
  4 O     1.68384    0.00034   -0.71757
  5 O     0.00011   -0.04177   -1.39817
  6 O    -0.00004    0.00130    1.77275
  7 Pt   -0.00002    0.01674    0.46846
  8 Pt   -0.00008    0.05887    0.95922
  9 O    -1.58332    0.00422    0.05725
 10 O     1.58321    0.00436    0.05731
 11 O     0.00013    0.01531   -0.61946
 12 O    -0.00053   -0.32493   -0.12571
 13 Pt   -0.00053    0.42241   -0.28803
 14 Pt    0.00074   -0.02182    0.01794
 15 O     0.00440    0.00106    0.01440
 16 O    -0.00280   -0.00038    0.01250
 17 O     0.02234    0.19288   -1.16194
 18 O     0.00069   -0.00872    0.02832
 19 Pt    0.00057    0.01300    0.06328
 20 Pt   -0.00763   -0.58966    0.14578
 21 O    -0.34328    0.55099    0.36495
 22 O     0.34542    0.55023    0.36367
 23 O    -0.00008    0.02198   -0.00386
 24 O     0.00002   -0.00084    1.15604
 25 Pt   -0.00016    0.02742   -0.39236
 26 Pt    0.00001   -0.00103   -0.43441
 27 O    -1.69208    0.01327   -0.71710
 28 O     1.69211    0.01328   -0.71715
 29 O     0.00012    0.03552   -1.40024
 30 O    -0.00003   -0.00093    1.82411
 31 Pt   -0.00003    0.01115    0.53841
 32 Pt    0.00017   -0.11862    0.67562
 33 O    -1.60200   -0.01995    0.04493
 34 O     1.60185   -0.02008    0.04496
 35 O     0.00024   -0.01348   -0.69091
 36 O    -0.00076    0.26208    0.05551
 37 Pt    0.00000   -0.20051   -0.06818
 38 Pt   -0.00000    0.01574    0.04487
 39 O     0.05236    0.00239   -0.00377
 40 O    -0.05120    0.00399   -0.00548
 41 O     0.00043   -0.20080   -0.47818
 42 O    -0.00155   -0.03686    0.04543
 43 Pt    0.00121   -0.13224   -0.23551
 44 Pt    0.00151    0.09432   -0.91037
 45 O    -0.08220   -0.15007    0.68116
 46 O     0.08320   -0.15268    0.67885
 47 O     0.00162    0.01842    0.11049
 48 O     0.00002    0.01913    1.17669
 49 Pt   -0.00009   -0.02527   -0.39198
 50 Pt    0.00001    0.02046   -0.44136
 51 O    -1.69236   -0.01367   -0.71798
 52 O     1.69241   -0.01367   -0.71799
 53 O     0.00015    0.00641   -1.41493
 54 O    -0.00004   -0.00198    1.78252
 55 Pt    0.00014   -0.02474    0.52602
 56 Pt    0.00006    0.06258    0.80611
 57 O    -1.61092    0.01359    0.07134
 58 O     1.61086    0.01356    0.07106
 59 O     0.00019   -0.01181   -0.59572
 60 O    -0.00024    0.01622   -0.32949
 61 Pt    0.00031   -0.12300   -0.24882
 62 Pt    0.00015   -0.00596    0.00641
 63 O     0.01953   -0.01015    0.01189
 64 O    -0.01951   -0.01007    0.01128
 65 O    -0.00024   -0.02265   -0.01948
 66 O    -0.00092   -0.00257    0.00834
 67 Pt   -0.00036    0.11125   -0.10260
 68 Pt    0.00096   -0.00360   -0.11439
 69 O    -0.05188   -0.14754    0.62615
 70 O     0.04674   -0.14552    0.62603
 71 O     0.00048   -0.02565   -0.00262
 72 N     0.03461    0.53073   -0.53239
 73 N     0.00612   -0.70498    0.74896
 74 O     0.03245    0.26276   -0.20401

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.245396    3.162155   26.362244    ( 0.0000,  0.0000,  0.0000)
  73 N      3.266482    3.966462   25.552470    ( 0.0000,  0.0000,  0.0000)
  74 O      3.291223    4.810133   24.705931    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:13:16  -3.99   +inf  -418.656571    4      1      
iter:   2  19:17:54  -3.12  -2.68  -420.580487    3      1      
iter:   3  19:22:34  -3.44  -1.97  -418.597839    3      1      
iter:   4  19:27:12  -4.11  -3.30  -418.596553    3      1      
iter:   5  19:31:49  -4.48  -3.68  -418.591073    3      1      
iter:   6  19:36:27  -4.75  -3.53  -418.592268    2      1      
iter:   7  19:41:04  -5.25  -3.94  -418.592024    3      1      
iter:   8  19:45:41  -5.66  -4.17  -418.592302    3      1      
iter:   9  19:50:18  -5.83  -4.06  -418.592205    3      1      
iter:  10  19:54:56  -6.03  -4.16  -418.591884    3      1      
iter:  11  19:59:35  -5.73  -4.25  -418.592598    2      1      
iter:  12  20:04:15  -5.97  -4.33  -418.592112    3      1      
iter:  13  20:08:52  -6.42  -4.59  -418.592175    3      1      
iter:  14  20:13:29  -6.71  -4.74  -418.592146    2      1      
iter:  15  20:18:04  -7.10  -4.71  -418.592232    2      1      
iter:  16  20:22:40  -6.86  -4.14  -418.592098    3      1      
iter:  17  20:27:16  -7.04  -4.86  -418.592103    2      1      
iter:  18  20:31:53  -7.32  -5.25  -418.592131    2      1      
iter:  19  20:36:28  -8.24  -5.39  -418.592090    2      1      

Converged after 19 iterations.

Dipole moment: (-55.903179, -33.073041, 0.041423) |e|*Ang

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

Kinetic:        +23.716253
Potential:     -141.075257
External:        +0.000000
XC:            -311.440979
Entropy (-ST):   -1.629068
Local:          +11.022427
--------------------------
Free energy:   -419.406624
Extrapolated:  -418.592090

Fermi level: -6.50252

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56734    0.14592
  0   343     -6.56393    0.14420
  0   344     -6.55447    0.13934
  0   345     -6.55279    0.13847

  1   342     -6.47723    0.19427
  1   343     -6.47440    0.19118
  1   344     -6.42378    0.13899
  1   345     -6.38741    0.10680



Forces in eV/Ang:
  0 O    -0.00001   -0.01814    1.18009
  1 Pt   -0.00014   -0.00204   -0.39077
  2 Pt   -0.00003   -0.01912   -0.44134
  3 O    -1.68253    0.00036   -0.71792
  4 O     1.68256    0.00036   -0.71796
  5 O     0.00011   -0.04179   -1.39827
  6 O    -0.00004    0.00130    1.77752
  7 Pt   -0.00002    0.01674    0.47038
  8 Pt   -0.00008    0.05892    0.96073
  9 O    -1.58352    0.00421    0.05770
 10 O     1.58341    0.00435    0.05776
 11 O     0.00013    0.01530   -0.61896
 12 O    -0.00052   -0.32474   -0.12562
 13 Pt   -0.00054    0.42241   -0.28754
 14 Pt    0.00074   -0.02187    0.01774
 15 O     0.00393    0.00112    0.01432
 16 O    -0.00232   -0.00033    0.01242
 17 O     0.02228    0.19259   -1.15970
 18 O     0.00069   -0.00885    0.02792
 19 Pt    0.00058    0.01295    0.06550
 20 Pt   -0.00762   -0.58868    0.14951
 21 O    -0.34340    0.55109    0.36734
 22 O     0.34555    0.55034    0.36605
 23 O    -0.00008    0.02209   -0.00142
 24 O     0.00002   -0.00085    1.15511
 25 Pt   -0.00016    0.02743   -0.39190
 26 Pt    0.00001   -0.00105   -0.43426
 27 O    -1.69079    0.01326   -0.71749
 28 O     1.69082    0.01327   -0.71754
 29 O     0.00012    0.03553   -1.40029
 30 O    -0.00003   -0.00089    1.82902
 31 Pt   -0.00003    0.01115    0.54031
 32 Pt    0.00017   -0.11861    0.67714
 33 O    -1.60223   -0.01994    0.04535
 34 O     1.60208   -0.02007    0.04539
 35 O     0.00024   -0.01346   -0.69051
 36 O    -0.00075    0.26186    0.05585
 37 Pt   -0.00000   -0.20091   -0.06781
 38 Pt   -0.00000    0.01566    0.04462
 39 O     0.05177    0.00234   -0.00363
 40 O    -0.05060    0.00394   -0.00534
 41 O     0.00043   -0.20057   -0.47443
 42 O    -0.00156   -0.03681    0.04520
 43 Pt    0.00121   -0.13133   -0.23257
 44 Pt    0.00148    0.09343   -0.90990
 45 O    -0.08213   -0.15038    0.68328
 46 O     0.08312   -0.15300    0.68099
 47 O     0.00166    0.01811    0.11068
 48 O     0.00002    0.01914    1.17575
 49 Pt   -0.00009   -0.02529   -0.39150
 50 Pt    0.00001    0.02048   -0.44123
 51 O    -1.69106   -0.01367   -0.71836
 52 O     1.69110   -0.01368   -0.71837
 53 O     0.00015    0.00642   -1.41502
 54 O    -0.00004   -0.00201    1.78735
 55 Pt    0.00014   -0.02475    0.52790
 56 Pt    0.00006    0.06252    0.80766
 57 O    -1.61115    0.01358    0.07174
 58 O     1.61109    0.01356    0.07147
 59 O     0.00019   -0.01183   -0.59521
 60 O    -0.00023    0.01626   -0.32921
 61 Pt    0.00031   -0.12258   -0.24835
 62 Pt    0.00015   -0.00583    0.00620
 63 O     0.01907   -0.01017    0.01186
 64 O    -0.01905   -0.01009    0.01125
 65 O    -0.00025   -0.02250   -0.01739
 66 O    -0.00092   -0.00244    0.00800
 67 Pt   -0.00035    0.11049   -0.09993
 68 Pt    0.00096   -0.00411   -0.11110
 69 O    -0.05188   -0.14733    0.62845
 70 O     0.04675   -0.14530    0.62832
 71 O     0.00047   -0.02550   -0.00087
 72 N     0.02000    0.14208   -0.13053
 73 N     0.02031   -0.15337    0.18501
 74 O     0.02880    0.07388   -0.00961

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.246197    3.160614   26.361178    ( 0.0000,  0.0000,  0.0000)
  73 N      3.267404    3.967118   25.551442    ( 0.0000,  0.0000,  0.0000)
  74 O      3.292384    4.810056   24.707100    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:00:09  -4.53   +inf  -418.594143    2      1      
iter:   2  21:04:46  -5.10  -3.75  -418.589955    3      1      
iter:   3  21:09:23  -5.32  -3.63  -418.593276    3      1      
iter:   4  21:14:01  -5.53  -3.58  -418.593013    2      1      
iter:   5  21:18:39  -5.48  -3.61  -418.591599    2      1      
iter:   6  21:23:16  -6.31  -4.67  -418.591538    2      1      
iter:   7  21:27:54  -6.05  -4.75  -418.591533    2      1      
iter:   8  21:32:31  -6.19  -4.92  -418.591467    2      1      
iter:   9  21:37:10  -6.78  -5.06  -418.591530    2      1      
iter:  10  21:41:48  -7.29  -5.01  -418.591533    2      1      
iter:  11  21:46:25  -7.84  -4.93  -418.591501    2      1      

Converged after 11 iterations.

Dipole moment: (-55.903006, -33.071008, 0.038651) |e|*Ang

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

Kinetic:        +23.717190
Potential:     -141.077982
External:        +0.000000
XC:            -311.443380
Entropy (-ST):   -1.629043
Local:          +11.027193
--------------------------
Free energy:   -419.406022
Extrapolated:  -418.591501

Fermi level: -6.50500

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56982    0.14591
  0   343     -6.56640    0.14419
  0   344     -6.55695    0.13934
  0   345     -6.55526    0.13846

  1   342     -6.47968    0.19424
  1   343     -6.47690    0.19120
  1   344     -6.42626    0.13899
  1   345     -6.38989    0.10679



Forces in eV/Ang:
  0 O    -0.00001   -0.01813    1.18036
  1 Pt   -0.00014   -0.00203   -0.39060
  2 Pt   -0.00003   -0.01909   -0.44095
  3 O    -1.68255    0.00036   -0.71767
  4 O     1.68257    0.00036   -0.71771
  5 O     0.00011   -0.04178   -1.39821
  6 O    -0.00004    0.00132    1.77728
  7 Pt   -0.00002    0.01676    0.46986
  8 Pt   -0.00008    0.05895    0.96026
  9 O    -1.58347    0.00423    0.05740
 10 O     1.58335    0.00436    0.05746
 11 O     0.00013    0.01533   -0.61943
 12 O    -0.00053   -0.32459   -0.12604
 13 Pt   -0.00053    0.42242   -0.28832
 14 Pt    0.00074   -0.02182    0.01730
 15 O     0.00394    0.00111    0.01387
 16 O    -0.00234   -0.00033    0.01197
 17 O     0.02230    0.19272   -1.16027
 18 O     0.00069   -0.00880    0.02745
 19 Pt    0.00061    0.01297    0.06465
 20 Pt   -0.00774   -0.58911    0.14868
 21 O    -0.34337    0.55103    0.36629
 22 O     0.34550    0.55029    0.36507
 23 O     0.00000    0.02214   -0.00207
 24 O     0.00002   -0.00086    1.15538
 25 Pt   -0.00016    0.02744   -0.39173
 26 Pt    0.00001   -0.00106   -0.43387
 27 O    -1.69082    0.01328   -0.71723
 28 O     1.69085    0.01328   -0.71728
 29 O     0.00012    0.03552   -1.40028
 30 O    -0.00003   -0.00092    1.82870
 31 Pt   -0.00003    0.01116    0.53979
 32 Pt    0.00017   -0.11864    0.67669
 33 O    -1.60219   -0.01994    0.04507
 34 O     1.60203   -0.02008    0.04510
 35 O     0.00024   -0.01348   -0.69092
 36 O    -0.00075    0.26189    0.05524
 37 Pt    0.00000   -0.20072   -0.06857
 38 Pt   -0.00001    0.01565    0.04404
 39 O     0.05179    0.00236   -0.00409
 40 O    -0.05063    0.00396   -0.00579
 41 O     0.00046   -0.20070   -0.47459
 42 O    -0.00155   -0.03682    0.04459
 43 Pt    0.00140   -0.13167   -0.23377
 44 Pt    0.00122    0.09426   -0.90787
 45 O    -0.08223   -0.15022    0.68251
 46 O     0.08317   -0.15281    0.68039
 47 O     0.00193    0.01833    0.11081
 48 O     0.00002    0.01913    1.17602
 49 Pt   -0.00009   -0.02531   -0.39134
 50 Pt    0.00001    0.02046   -0.44085
 51 O    -1.69108   -0.01369   -0.71812
 52 O     1.69113   -0.01370   -0.71812
 53 O     0.00015    0.00642   -1.41497
 54 O    -0.00004   -0.00200    1.78715
 55 Pt    0.00014   -0.02478    0.52738
 56 Pt    0.00006    0.06252    0.80718
 57 O    -1.61110    0.01357    0.07146
 58 O     1.61104    0.01355    0.07118
 59 O     0.00019   -0.01183   -0.59567
 60 O    -0.00024    0.01607   -0.32967
 61 Pt    0.00031   -0.12279   -0.24921
 62 Pt    0.00014   -0.00586    0.00570
 63 O     0.01907   -0.01018    0.01136
 64 O    -0.01905   -0.01010    0.01075
 65 O    -0.00025   -0.02249   -0.01791
 66 O    -0.00093   -0.00249    0.00747
 67 Pt   -0.00025    0.11074   -0.10052
 68 Pt    0.00094   -0.00402   -0.11134
 69 O    -0.05202   -0.14750    0.62778
 70 O     0.04684   -0.14553    0.62783
 71 O     0.00051   -0.02571   -0.00131
 72 N     0.00988    0.27983   -0.24775
 73 N     0.00163   -0.35906    0.39501
 74 O     0.02526    0.19331   -0.12107

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.246166    3.161821   26.360373    ( 0.0000,  0.0000,  0.0000)
  73 N      3.267379    3.965438   25.552904    ( 0.0000,  0.0000,  0.0000)
  74 O      3.292361    4.810675   24.706753    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -4.35   +inf  -418.601567    3      1      
iter:   2  23:01:13  -4.37  -3.29  -418.657203    3      1      
iter:   3  23:05:51  -4.56  -2.67  -418.594514    3      1      
iter:   4  23:10:28  -4.93  -3.23  -418.594542    3      1      
iter:   5  23:15:06  -5.23  -3.85  -418.592338    3      1      
iter:   6  23:19:44  -5.42  -3.91  -418.592442    3      1      
iter:   7  23:24:22  -5.80  -4.39  -418.592554    3      1      
iter:   8  23:29:00  -5.76  -4.22  -418.592462    3      1      
iter:   9  23:33:39  -5.89  -4.62  -418.592515    3      1      
iter:  10  23:38:19  -6.34  -4.64  -418.592236    2      1      
iter:  11  23:42:57  -6.59  -4.56  -418.592500    2      1      
iter:  12  23:47:35  -6.99  -4.77  -418.592387    2      1      
iter:  13  23:52:15  -7.26  -4.92  -418.592460    2      1      
iter:  14  23:56:53  -7.35  -4.56  -418.592396    2      1      
iter:  15  00:01:31  -7.67  -5.04  -418.592399    2      1      

Converged after 15 iterations.

Dipole moment: (-55.903162, -33.074370, 0.043878) |e|*Ang

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

Kinetic:        +23.927757
Potential:     -141.243598
External:        +0.000000
XC:            -311.484693
Entropy (-ST):   -1.629003
Local:          +11.022636
--------------------------
Free energy:   -419.406900
Extrapolated:  -418.592399

Fermi level: -6.50059

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56543    0.14592
  0   343     -6.56198    0.14419
  0   344     -6.55254    0.13934
  0   345     -6.55085    0.13847

  1   342     -6.47524    0.19421
  1   343     -6.47243    0.19114
  1   344     -6.42187    0.13901
  1   345     -6.38547    0.10679



Forces in eV/Ang:
  0 O    -0.00001   -0.01812    1.18008
  1 Pt   -0.00014   -0.00203   -0.39136
  2 Pt   -0.00003   -0.01908   -0.44195
  3 O    -1.68261    0.00035   -0.71809
  4 O     1.68264    0.00035   -0.71812
  5 O     0.00011   -0.04179   -1.39829
  6 O    -0.00004    0.00130    1.77679
  7 Pt   -0.00002    0.01676    0.47006
  8 Pt   -0.00008    0.05893    0.96051
  9 O    -1.58343    0.00423    0.05761
 10 O     1.58332    0.00436    0.05767
 11 O     0.00013    0.01532   -0.61902
 12 O    -0.00052   -0.32465   -0.12569
 13 Pt   -0.00054    0.42246   -0.28756
 14 Pt    0.00074   -0.02182    0.01766
 15 O     0.00401    0.00110    0.01429
 16 O    -0.00241   -0.00034    0.01239
 17 O     0.02228    0.19272   -1.15944
 18 O     0.00069   -0.00876    0.02794
 19 Pt    0.00058    0.01284    0.06584
 20 Pt   -0.00762   -0.58851    0.14959
 21 O    -0.34340    0.55110    0.36753
 22 O     0.34554    0.55035    0.36624
 23 O    -0.00007    0.02201   -0.00180
 24 O     0.00002   -0.00085    1.15511
 25 Pt   -0.00016    0.02744   -0.39249
 26 Pt    0.00001   -0.00105   -0.43491
 27 O    -1.69089    0.01329   -0.71764
 28 O     1.69092    0.01329   -0.71769
 29 O     0.00012    0.03553   -1.40037
 30 O    -0.00003   -0.00092    1.82808
 31 Pt   -0.00003    0.01113    0.53998
 32 Pt    0.00017   -0.11865    0.67700
 33 O    -1.60213   -0.01997    0.04528
 34 O     1.60198   -0.02010    0.04531
 35 O     0.00024   -0.01348   -0.69052
 36 O    -0.00075    0.26189    0.05580
 37 Pt   -0.00001   -0.20104   -0.06771
 38 Pt   -0.00000    0.01566    0.04459
 39 O     0.05187    0.00238   -0.00365
 40 O    -0.05071    0.00397   -0.00536
 41 O     0.00043   -0.20064   -0.47338
 42 O    -0.00156   -0.03682    0.04518
 43 Pt    0.00121   -0.13109   -0.23248
 44 Pt    0.00149    0.09337   -0.90957
 45 O    -0.08218   -0.15042    0.68329
 46 O     0.08317   -0.15303    0.68103
 47 O     0.00172    0.01809    0.11004
 48 O     0.00002    0.01912    1.17574
 49 Pt   -0.00009   -0.02531   -0.39211
 50 Pt    0.00001    0.02044   -0.44186
 51 O    -1.69116   -0.01370   -0.71853
 52 O     1.69121   -0.01370   -0.71853
 53 O     0.00015    0.00643   -1.41504
 54 O    -0.00004   -0.00198    1.78660
 55 Pt    0.00014   -0.02475    0.52758
 56 Pt    0.00006    0.06254    0.80746
 57 O    -1.61104    0.01360    0.07167
 58 O     1.61098    0.01357    0.07139
 59 O     0.00019   -0.01182   -0.59524
 60 O    -0.00023    0.01613   -0.32927
 61 Pt    0.00031   -0.12248   -0.24835
 62 Pt    0.00015   -0.00589    0.00614
 63 O     0.01915   -0.01018    0.01184
 64 O    -0.01912   -0.01010    0.01123
 65 O    -0.00025   -0.02255   -0.01700
 66 O    -0.00093   -0.00252    0.00803
 67 Pt   -0.00034    0.11041   -0.09959
 68 Pt    0.00096   -0.00429   -0.11088
 69 O    -0.05187   -0.14726    0.62841
 70 O     0.04672   -0.14524    0.62831
 71 O     0.00048   -0.02543   -0.00130
 72 N     0.01050   -0.01956    0.03620
 73 N     0.02358    0.03590   -0.00765
 74 O     0.02632    0.04314    0.02402

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.246269    3.161598   26.361083    ( 0.0000,  0.0000,  0.0000)
  73 N      3.267712    3.965442   25.552728    ( 0.0000,  0.0000,  0.0000)
  74 O      3.292507    4.810778   24.707334    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:43:34  -5.33   +inf  -418.592351    3      1      
iter:   2  00:48:12  -5.21  -3.74  -418.606184    3      1      
iter:   3  00:52:51  -5.24  -3.02  -418.593600    2      1      
iter:   4  00:57:30  -5.84  -4.01  -418.592225    3      1      
iter:   5  01:02:09  -6.23  -4.41  -418.592487    3      1      
iter:   6  01:06:47  -6.64  -4.54  -418.592485    2      1      
iter:   7  01:11:27  -6.77  -4.90  -418.592424    2      1      
iter:   8  01:16:05  -6.96  -5.10  -418.592402    2      1      
iter:   9  01:20:45  -7.26  -5.07  -418.592411    2      1      
iter:  10  01:25:24  -7.54  -5.27  -418.592390    2      1      

Converged after 10 iterations.

Dipole moment: (-55.903120, -33.074258, 0.044930) |e|*Ang

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

Kinetic:        +23.839597
Potential:     -141.173824
External:        +0.000000
XC:            -311.468867
Entropy (-ST):   -1.629046
Local:          +11.025228
--------------------------
Free energy:   -419.406913
Extrapolated:  -418.592390

Fermi level: -6.49989

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56473    0.14592
  0   343     -6.56130    0.14419
  0   344     -6.55183    0.13933
  0   345     -6.55016    0.13846

  1   342     -6.47457    0.19423
  1   343     -6.47177    0.19118
  1   344     -6.42115    0.13899
  1   345     -6.38479    0.10680



Forces in eV/Ang:
  0 O    -0.00001   -0.01813    1.17986
  1 Pt   -0.00014   -0.00203   -0.39109
  2 Pt   -0.00003   -0.01908   -0.44177
  3 O    -1.68258    0.00035   -0.71793
  4 O     1.68261    0.00035   -0.71796
  5 O     0.00011   -0.04179   -1.39822
  6 O    -0.00004    0.00131    1.77696
  7 Pt   -0.00002    0.01677    0.47000
  8 Pt   -0.00008    0.05895    0.96041
  9 O    -1.58343    0.00424    0.05752
 10 O     1.58332    0.00437    0.05758
 11 O     0.00013    0.01533   -0.61945
 12 O    -0.00052   -0.32460   -0.12599
 13 Pt   -0.00054    0.42245   -0.28796
 14 Pt    0.00074   -0.02182    0.01748
 15 O     0.00404    0.00109    0.01411
 16 O    -0.00244   -0.00035    0.01222
 17 O     0.02229    0.19272   -1.15998
 18 O     0.00069   -0.00879    0.02759
 19 Pt    0.00059    0.01279    0.06562
 20 Pt   -0.00764   -0.58834    0.15143
 21 O    -0.34331    0.55104    0.36699
 22 O     0.34545    0.55029    0.36571
 23 O    -0.00007    0.02227   -0.00032
 24 O     0.00002   -0.00085    1.15490
 25 Pt   -0.00016    0.02745   -0.39221
 26 Pt    0.00001   -0.00105   -0.43473
 27 O    -1.69086    0.01329   -0.71748
 28 O     1.69089    0.01330   -0.71753
 29 O     0.00012    0.03552   -1.40030
 30 O    -0.00003   -0.00094    1.82825
 31 Pt   -0.00003    0.01114    0.53991
 32 Pt    0.00017   -0.11866    0.67686
 33 O    -1.60215   -0.01997    0.04518
 34 O     1.60200   -0.02010    0.04522
 35 O     0.00024   -0.01349   -0.69090
 36 O    -0.00075    0.26186    0.05545
 37 Pt   -0.00001   -0.20083   -0.06800
 38 Pt   -0.00000    0.01568    0.04442
 39 O     0.05191    0.00239   -0.00383
 40 O    -0.05075    0.00399   -0.00554
 41 O     0.00043   -0.20061   -0.47381
 42 O    -0.00156   -0.03679    0.04478
 43 Pt    0.00123   -0.13120   -0.23202
 44 Pt    0.00150    0.09336   -0.90562
 45 O    -0.08216   -0.15030    0.68316
 46 O     0.08314   -0.15292    0.68090
 47 O     0.00172    0.01800    0.11210
 48 O     0.00002    0.01912    1.17552
 49 Pt   -0.00009   -0.02532   -0.39184
 50 Pt    0.00001    0.02044   -0.44168
 51 O    -1.69113   -0.01370   -0.71836
 52 O     1.69118   -0.01371   -0.71837
 53 O     0.00015    0.00643   -1.41498
 54 O    -0.00004   -0.00198    1.78679
 55 Pt    0.00014   -0.02476    0.52753
 56 Pt    0.00006    0.06254    0.80736
 57 O    -1.61105    0.01358    0.07158
 58 O     1.61099    0.01356    0.07131
 59 O     0.00019   -0.01183   -0.59565
 60 O    -0.00023    0.01609   -0.32955
 61 Pt    0.00031   -0.12268   -0.24866
 62 Pt    0.00015   -0.00590    0.00592
 63 O     0.01918   -0.01018    0.01167
 64 O    -0.01915   -0.01010    0.01105
 65 O    -0.00025   -0.02256   -0.01781
 66 O    -0.00092   -0.00252    0.00763
 67 Pt   -0.00035    0.11051   -0.09945
 68 Pt    0.00096   -0.00428   -0.11002
 69 O    -0.05190   -0.14739    0.62819
 70 O     0.04675   -0.14537    0.62808
 71 O     0.00048   -0.02558   -0.00013
 72 N     0.01452    0.04581   -0.03644
 73 N     0.01817   -0.02617    0.06676
 74 O     0.02788    0.06063    0.00459

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.246791    3.161495   26.359597    ( 0.0000,  0.0000,  0.0000)
  73 N      3.268303    3.964039   25.553900    ( 0.0000,  0.0000,  0.0000)
  74 O      3.293320    4.811723   24.707288    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -4.43   +inf  -418.598194    3      1      
iter:   2  02:44:13  -4.51  -3.38  -418.643130    3      1      
iter:   3  02:48:51  -4.68  -2.73  -418.591987    3      1      
iter:   4  02:53:30  -5.07  -3.41  -418.593804    3      1      
iter:   5  02:58:09  -5.35  -3.92  -418.591962    3      1      
iter:   6  03:02:48  -5.72  -4.07  -418.592118    2      1      
iter:   7  03:07:30  -5.99  -4.53  -418.592189    3      1      
iter:   8  03:12:08  -5.87  -4.32  -418.592115    3      1      
iter:   9  03:16:45  -6.30  -4.75  -418.592164    2      1      
iter:  10  03:21:23  -6.69  -4.80  -418.591977    2      1      
iter:  11  03:26:01  -6.82  -4.71  -418.592144    2      1      
iter:  12  03:30:38  -7.24  -4.96  -418.592056    2      1      
iter:  13  03:35:16  -7.69  -4.64  -418.592077    2      1      

Converged after 13 iterations.

Dipole moment: (-55.903126, -33.076687, 0.047940) |e|*Ang

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

Kinetic:        +24.045150
Potential:     -141.345757
External:        +0.000000
XC:            -311.499203
Entropy (-ST):   -1.629009
Local:          +11.022237
--------------------------
Free energy:   -419.406582
Extrapolated:  -418.592077

Fermi level: -6.49695

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56177    0.14591
  0   343     -6.55836    0.14419
  0   344     -6.54896    0.13937
  0   345     -6.54724    0.13848

  1   342     -6.47165    0.19426
  1   343     -6.46878    0.19113
  1   344     -6.41824    0.13902
  1   345     -6.38187    0.10682



Forces in eV/Ang:
  0 O    -0.00001   -0.01815    1.18038
  1 Pt   -0.00014   -0.00204   -0.39048
  2 Pt   -0.00003   -0.01911   -0.44102
  3 O    -1.68235    0.00036   -0.71799
  4 O     1.68238    0.00036   -0.71802
  5 O     0.00011   -0.04179   -1.39857
  6 O    -0.00004    0.00133    1.77784
  7 Pt   -0.00002    0.01674    0.47023
  8 Pt   -0.00008    0.05902    0.96042
  9 O    -1.58341    0.00422    0.05769
 10 O     1.58330    0.00436    0.05775
 11 O     0.00013    0.01533   -0.61898
 12 O    -0.00052   -0.32464   -0.12533
 13 Pt   -0.00054    0.42245   -0.28693
 14 Pt    0.00074   -0.02188    0.01863
 15 O     0.00406    0.00111    0.01466
 16 O    -0.00245   -0.00033    0.01276
 17 O     0.02228    0.19270   -1.15978
 18 O     0.00069   -0.00876    0.02838
 19 Pt    0.00059    0.01276    0.06363
 20 Pt   -0.00763   -0.58865    0.14623
 21 O    -0.34329    0.55113    0.36696
 22 O     0.34543    0.55037    0.36567
 23 O    -0.00007    0.02177   -0.00307
 24 O     0.00002   -0.00085    1.15540
 25 Pt   -0.00016    0.02744   -0.39158
 26 Pt    0.00001   -0.00105   -0.43392
 27 O    -1.69062    0.01327   -0.71754
 28 O     1.69065    0.01328   -0.71759
 29 O     0.00012    0.03552   -1.40061
 30 O    -0.00003   -0.00092    1.82935
 31 Pt   -0.00003    0.01119    0.54013
 32 Pt    0.00017   -0.11863    0.67690
 33 O    -1.60216   -0.01991    0.04534
 34 O     1.60201   -0.02004    0.04538
 35 O     0.00024   -0.01346   -0.69045
 36 O    -0.00075    0.26195    0.05596
 37 Pt   -0.00001   -0.20131   -0.06707
 38 Pt   -0.00001    0.01565    0.04530
 39 O     0.05192    0.00236   -0.00320
 40 O    -0.05076    0.00396   -0.00491
 41 O     0.00044   -0.20070   -0.47234
 42 O    -0.00156   -0.03692    0.04566
 43 Pt    0.00123   -0.13085   -0.23489
 44 Pt    0.00144    0.09347   -0.91241
 45 O    -0.08227   -0.15040    0.68210
 46 O     0.08326   -0.15301    0.67985
 47 O     0.00179    0.01803    0.10853
 48 O     0.00002    0.01914    1.17603
 49 Pt   -0.00009   -0.02530   -0.39119
 50 Pt    0.00001    0.02047   -0.44091
 51 O    -1.69088   -0.01368   -0.71843
 52 O     1.69093   -0.01369   -0.71843
 53 O     0.00015    0.00643   -1.41534
 54 O    -0.00004   -0.00201    1.78770
 55 Pt    0.00014   -0.02479    0.52776
 56 Pt    0.00006    0.06244    0.80738
 57 O    -1.61106    0.01354    0.07174
 58 O     1.61100    0.01352    0.07146
 59 O     0.00019   -0.01186   -0.59515
 60 O    -0.00023    0.01602   -0.32893
 61 Pt    0.00031   -0.12218   -0.24777
 62 Pt    0.00015   -0.00581    0.00691
 63 O     0.01918   -0.01017    0.01222
 64 O    -0.01915   -0.01009    0.01161
 65 O    -0.00025   -0.02246   -0.01676
 66 O    -0.00093   -0.00240    0.00852
 67 Pt   -0.00033    0.11031   -0.10152
 68 Pt    0.00095   -0.00440   -0.11363
 69 O    -0.05185   -0.14719    0.62745
 70 O     0.04669   -0.14517    0.62738
 71 O     0.00048   -0.02515   -0.00254
 72 N     0.00317   -0.16850    0.18832
 73 N     0.02363    0.27372   -0.24140
 74 O     0.02236   -0.05183    0.11640

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.248052    3.159101   26.357731    ( 0.0000,  0.0000,  0.0000)
  73 N      3.269880    3.963610   25.553555    ( 0.0000,  0.0000,  0.0000)
  74 O      3.295412    4.812869   24.708501    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -4.34   +inf  -418.594339    3      1      
iter:   2  04:06:24  -4.52  -3.47  -418.650232    2      1      
iter:   3  04:11:02  -4.68  -2.70  -418.592241    2      1      
iter:   4  04:15:40  -5.45  -4.50  -418.592363    2      1      
iter:   5  04:20:18  -5.79  -4.60  -418.592046    2      1      
iter:   6  04:24:55  -6.09  -4.59  -418.592306    2      1      
iter:   7  04:29:33  -6.43  -4.87  -418.592256    2      1      
iter:   8  04:34:11  -6.74  -5.09  -418.592236    2      1      
iter:   9  04:38:51  -6.93  -5.15  -418.592248    2      1      
iter:  10  04:43:30  -7.57  -5.00  -418.592243    2      1      

Converged after 10 iterations.

Dipole moment: (-55.903129, -33.076993, 0.049811) |e|*Ang

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

Kinetic:        +23.942078
Potential:     -141.260389
External:        +0.000000
XC:            -311.484050
Entropy (-ST):   -1.629001
Local:          +11.024619
--------------------------
Free energy:   -419.406744
Extrapolated:  -418.592243

Fermi level: -6.49562

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56040    0.14589
  0   343     -6.55699    0.14418
  0   344     -6.54770    0.13941
  0   345     -6.54593    0.13849

  1   342     -6.47033    0.19428
  1   343     -6.46740    0.19108
  1   344     -6.41697    0.13908
  1   345     -6.38051    0.10680



Forces in eV/Ang:
  0 O    -0.00001   -0.01811    1.17979
  1 Pt   -0.00014   -0.00202   -0.39140
  2 Pt   -0.00003   -0.01906   -0.44210
  3 O    -1.68215    0.00037   -0.71818
  4 O     1.68217    0.00037   -0.71822
  5 O     0.00011   -0.04179   -1.39893
  6 O    -0.00004    0.00132    1.77804
  7 Pt   -0.00002    0.01678    0.46991
  8 Pt   -0.00008    0.05896    0.96029
  9 O    -1.58342    0.00421    0.05696
 10 O     1.58330    0.00435    0.05702
 11 O     0.00013    0.01533   -0.61971
 12 O    -0.00053   -0.32450   -0.12678
 13 Pt   -0.00053    0.42253   -0.28778
 14 Pt    0.00073   -0.02177    0.01751
 15 O     0.00389    0.00112    0.01377
 16 O    -0.00229   -0.00032    0.01188
 17 O     0.02228    0.19273   -1.15724
 18 O     0.00069   -0.00879    0.02701
 19 Pt    0.00061    0.01265    0.06555
 20 Pt   -0.00773   -0.58816    0.15060
 21 O    -0.34378    0.55121    0.36670
 22 O     0.34591    0.55047    0.36552
 23 O     0.00002    0.02226   -0.00066
 24 O     0.00002   -0.00086    1.15484
 25 Pt   -0.00016    0.02743   -0.39254
 26 Pt    0.00000   -0.00107   -0.43505
 27 O    -1.69045    0.01327   -0.71774
 28 O     1.69048    0.01328   -0.71779
 29 O     0.00012    0.03554   -1.40100
 30 O    -0.00003   -0.00090    1.82932
 31 Pt   -0.00003    0.01110    0.53977
 32 Pt    0.00017   -0.11863    0.67674
 33 O    -1.60212   -0.01997    0.04462
 34 O     1.60197   -0.02010    0.04465
 35 O     0.00024   -0.01348   -0.69135
 36 O    -0.00075    0.26187    0.05467
 37 Pt    0.00000   -0.20097   -0.06750
 38 Pt   -0.00001    0.01559    0.04465
 39 O     0.05168    0.00233   -0.00398
 40 O    -0.05052    0.00393   -0.00567
 41 O     0.00048   -0.20060   -0.46950
 42 O    -0.00155   -0.03668    0.04432
 43 Pt    0.00139   -0.13066   -0.23234
 44 Pt    0.00118    0.09347   -0.90536
 45 O    -0.08258   -0.15048    0.68216
 46 O     0.08351   -0.15304    0.68011
 47 O     0.00211    0.01802    0.11117
 48 O     0.00002    0.01912    1.17545
 49 Pt   -0.00009   -0.02531   -0.39212
 50 Pt    0.00001    0.02044   -0.44198
 51 O    -1.69070   -0.01369   -0.71862
 52 O     1.69074   -0.01370   -0.71863
 53 O     0.00015    0.00640   -1.41565
 54 O    -0.00004   -0.00203    1.78794
 55 Pt    0.00014   -0.02474    0.52735
 56 Pt    0.00006    0.06250    0.80722
 57 O    -1.61105    0.01361    0.07101
 58 O     1.61099    0.01359    0.07073
 59 O     0.00019   -0.01184   -0.59601
 60 O    -0.00024    0.01601   -0.33031
 61 Pt    0.00031   -0.12261   -0.24831
 62 Pt    0.00014   -0.00585    0.00599
 63 O     0.01906   -0.01016    0.01139
 64 O    -0.01904   -0.01008    0.01078
 65 O    -0.00025   -0.02254   -0.01506
 66 O    -0.00093   -0.00260    0.00711
 67 Pt   -0.00025    0.11017   -0.09914
 68 Pt    0.00097   -0.00469   -0.11041
 69 O    -0.05218   -0.14730    0.62765
 70 O     0.04698   -0.14536    0.62783
 71 O     0.00052   -0.02564   -0.00061
 72 N    -0.00366   -0.12917    0.16437
 73 N     0.02021    0.26890   -0.22562
 74 O     0.01336   -0.05618    0.12338

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.249278    3.156844   26.355547    ( 0.0000,  0.0000,  0.0000)
  73 N      3.271492    3.963292   25.553051    ( 0.0000,  0.0000,  0.0000)
  74 O      3.297443    4.813750   24.709969    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:30:31  -4.30   +inf  -418.606164    2      1      
iter:   2  05:35:08  -3.78  -3.04  -419.024168    3      1      
iter:   3  05:39:46  -4.02  -2.28  -418.592161    3      1      
iter:   4  05:44:24  -4.85  -4.02  -418.592863    3      1      
iter:   5  05:49:03  -5.36  -4.41  -418.592303    2      1      
iter:   6  05:53:41  -5.70  -4.48  -418.592379    2      1      
iter:   7  05:58:20  -6.12  -4.70  -418.592405    2      1      
iter:   8  06:02:59  -6.60  -4.73  -418.592367    2      1      
iter:   9  06:07:36  -6.91  -4.74  -418.592380    2      1      
iter:  10  06:12:13  -7.10  -4.80  -418.592454    2      1      
iter:  11  06:16:51  -7.13  -4.97  -418.592338    2      1      
iter:  12  06:21:28  -7.54  -5.20  -418.592374    2      1      

Converged after 12 iterations.

Dipole moment: (-55.902885, -33.076168, 0.048030) |e|*Ang

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

Kinetic:        +24.003900
Potential:     -141.314357
External:        +0.000000
XC:            -311.493378
Entropy (-ST):   -1.628972
Local:          +11.025946
--------------------------
Free energy:   -419.406860
Extrapolated:  -418.592374

Fermi level: -6.49711

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56196    0.14593
  0   343     -6.55852    0.14419
  0   344     -6.54908    0.13935
  0   345     -6.54739    0.13847

  1   342     -6.47175    0.19420
  1   343     -6.46897    0.19116
  1   344     -6.41839    0.13900
  1   345     -6.38202    0.10681



Forces in eV/Ang:
  0 O    -0.00001   -0.01812    1.18033
  1 Pt   -0.00014   -0.00204   -0.39087
  2 Pt   -0.00003   -0.01910   -0.44133
  3 O    -1.68273    0.00035   -0.71798
  4 O     1.68275    0.00035   -0.71802
  5 O     0.00011   -0.04179   -1.39890
  6 O    -0.00004    0.00129    1.77631
  7 Pt   -0.00002    0.01674    0.46946
  8 Pt   -0.00008    0.05895    0.95987
  9 O    -1.58349    0.00421    0.05696
 10 O     1.58337    0.00435    0.05702
 11 O     0.00013    0.01532   -0.61992
 12 O    -0.00053   -0.32470   -0.12660
 13 Pt   -0.00053    0.42250   -0.28794
 14 Pt    0.00074   -0.02184    0.01791
 15 O     0.00404    0.00110    0.01397
 16 O    -0.00243   -0.00034    0.01207
 17 O     0.02232    0.19286   -1.16032
 18 O     0.00069   -0.00886    0.02748
 19 Pt    0.00065    0.01266    0.06385
 20 Pt   -0.00779   -0.58901    0.14687
 21 O    -0.34338    0.55115    0.36618
 22 O     0.34551    0.55041    0.36499
 23 O     0.00004    0.02197   -0.00241
 24 O     0.00002   -0.00085    1.15537
 25 Pt   -0.00016    0.02745   -0.39199
 26 Pt    0.00000   -0.00105   -0.43426
 27 O    -1.69100    0.01327   -0.71754
 28 O     1.69103    0.01328   -0.71759
 29 O     0.00012    0.03552   -1.40097
 30 O    -0.00003   -0.00091    1.82773
 31 Pt   -0.00003    0.01117    0.53938
 32 Pt    0.00017   -0.11863    0.67636
 33 O    -1.60221   -0.01993    0.04462
 34 O     1.60205   -0.02006    0.04465
 35 O     0.00024   -0.01347   -0.69140
 36 O    -0.00075    0.26199    0.05477
 37 Pt   -0.00001   -0.20099   -0.06799
 38 Pt   -0.00000    0.01565    0.04475
 39 O     0.05192    0.00239   -0.00396
 40 O    -0.05075    0.00399   -0.00567
 41 O     0.00049   -0.20082   -0.47356
 42 O    -0.00153   -0.03683    0.04481
 43 Pt    0.00148   -0.13078   -0.23448
 44 Pt    0.00108    0.09416   -0.90932
 45 O    -0.08235   -0.15038    0.68199
 46 O     0.08324   -0.15293    0.68005
 47 O     0.00225    0.01814    0.10946
 48 O     0.00002    0.01912    1.17599
 49 Pt   -0.00009   -0.02532   -0.39160
 50 Pt    0.00001    0.02045   -0.44122
 51 O    -1.69127   -0.01368   -0.71843
 52 O     1.69132   -0.01369   -0.71844
 53 O     0.00015    0.00643   -1.41566
 54 O    -0.00004   -0.00199    1.78617
 55 Pt    0.00014   -0.02477    0.52698
 56 Pt    0.00006    0.06250    0.80681
 57 O    -1.61111    0.01357    0.07100
 58 O     1.61106    0.01354    0.07072
 59 O     0.00019   -0.01183   -0.59615
 60 O    -0.00025    0.01607   -0.33022
 61 Pt    0.00030   -0.12256   -0.24874
 62 Pt    0.00015   -0.00584    0.00624
 63 O     0.01916   -0.01020    0.01149
 64 O    -0.01914   -0.01012    0.01087
 65 O    -0.00024   -0.02248   -0.01766
 66 O    -0.00093   -0.00240    0.00761
 67 Pt   -0.00018    0.11029   -0.10090
 68 Pt    0.00093   -0.00441   -0.11295
 69 O    -0.05190   -0.14735    0.62709
 70 O     0.04664   -0.14545    0.62732
 71 O     0.00054   -0.02543   -0.00205
 72 N    -0.01262   -0.10533    0.16024
 73 N     0.00917    0.22384   -0.18520
 74 O    -0.00395   -0.03049    0.08152

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.249690    3.155713   26.355261    ( 0.0000,  0.0000,  0.0000)
  73 N      3.272163    3.963612   25.552261    ( 0.0000,  0.0000,  0.0000)
  74 O      3.298099    4.813886   24.710882    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:03:50  -4.83   +inf  -418.592024    3      1      
iter:   2  07:08:28  -5.42  -3.93  -418.594709    3      1      
iter:   3  07:13:05  -5.57  -3.76  -418.593762    3      1      
iter:   4  07:17:43  -5.77  -3.61  -418.592184    2      1      
iter:   5  07:22:21  -5.79  -3.84  -418.592711    3      1      
iter:   6  07:26:59  -6.52  -4.58  -418.592622    2      1      
iter:   7  07:31:36  -6.24  -4.86  -418.592544    3      1      
iter:   8  07:36:14  -6.32  -4.86  -418.592539    2      1      
iter:   9  07:40:50  -6.95  -5.04  -418.592573    2      1      
iter:  10  07:45:28  -7.37  -5.25  -418.592590    2      1      
iter:  11  07:50:05  -7.74  -5.26  -418.592567    2      1      

Converged after 11 iterations.

Dipole moment: (-55.902895, -33.074637, 0.045687) |e|*Ang

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

Kinetic:        +23.926354
Potential:     -141.249256
External:        +0.000000
XC:            -311.481428
Entropy (-ST):   -1.629021
Local:          +11.026273
--------------------------
Free energy:   -419.407077
Extrapolated:  -418.592567

Fermi level: -6.49907

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56388    0.14590
  0   343     -6.56046    0.14418
  0   344     -6.55109    0.13937
  0   345     -6.54936    0.13847

  1   342     -6.47378    0.19427
  1   343     -6.47092    0.19115
  1   344     -6.42038    0.13904
  1   345     -6.38397    0.10680



Forces in eV/Ang:
  0 O    -0.00001   -0.01813    1.18003
  1 Pt   -0.00014   -0.00204   -0.39080
  2 Pt   -0.00003   -0.01908   -0.44130
  3 O    -1.68241    0.00035   -0.71782
  4 O     1.68244    0.00035   -0.71786
  5 O     0.00011   -0.04180   -1.39847
  6 O    -0.00004    0.00129    1.77776
  7 Pt   -0.00002    0.01678    0.47030
  8 Pt   -0.00008    0.05892    0.96065
  9 O    -1.58349    0.00424    0.05755
 10 O     1.58337    0.00438    0.05761
 11 O     0.00013    0.01531   -0.61903
 12 O    -0.00052   -0.32473   -0.12595
 13 Pt   -0.00054    0.42248   -0.28728
 14 Pt    0.00074   -0.02183    0.01796
 15 O     0.00390    0.00111    0.01440
 16 O    -0.00229   -0.00033    0.01250
 17 O     0.02228    0.19280   -1.15840
 18 O     0.00070   -0.00882    0.02773
 19 Pt    0.00060    0.01269    0.06478
 20 Pt   -0.00766   -0.58895    0.14862
 21 O    -0.34367    0.55117    0.36620
 22 O     0.34582    0.55041    0.36490
 23 O    -0.00008    0.02213   -0.00159
 24 O     0.00002   -0.00086    1.15505
 25 Pt   -0.00016    0.02746   -0.39193
 26 Pt    0.00000   -0.00105   -0.43428
 27 O    -1.69070    0.01329   -0.71738
 28 O     1.69073    0.01330   -0.71743
 29 O     0.00012    0.03551   -1.40054
 30 O    -0.00003   -0.00094    1.82897
 31 Pt   -0.00002    0.01111    0.54020
 32 Pt    0.00017   -0.11867    0.67704
 33 O    -1.60221   -0.01998    0.04520
 34 O     1.60205   -0.02011    0.04524
 35 O     0.00024   -0.01349   -0.69056
 36 O    -0.00075    0.26189    0.05561
 37 Pt   -0.00002   -0.20067   -0.06704
 38 Pt   -0.00000    0.01564    0.04499
 39 O     0.05178    0.00238   -0.00339
 40 O    -0.05061    0.00398   -0.00509
 41 O     0.00043   -0.20072   -0.47183
 42 O    -0.00156   -0.03672    0.04499
 43 Pt    0.00124   -0.13104   -0.23355
 44 Pt    0.00150    0.09423   -0.90745
 45 O    -0.08247   -0.15027    0.68193
 46 O     0.08345   -0.15287    0.67972
 47 O     0.00192    0.01816    0.11075
 48 O     0.00003    0.01913    1.17568
 49 Pt   -0.00010   -0.02532   -0.39156
 50 Pt    0.00001    0.02044   -0.44122
 51 O    -1.69097   -0.01370   -0.71826
 52 O     1.69102   -0.01370   -0.71826
 53 O     0.00015    0.00645   -1.41524
 54 O    -0.00004   -0.00196    1.78750
 55 Pt    0.00014   -0.02475    0.52779
 56 Pt    0.00006    0.06257    0.80759
 57 O    -1.61110    0.01359    0.07160
 58 O     1.61104    0.01356    0.07132
 59 O     0.00019   -0.01181   -0.59526
 60 O    -0.00023    0.01623   -0.32951
 61 Pt    0.00029   -0.12288   -0.24771
 62 Pt    0.00015   -0.00585    0.00643
 63 O     0.01909   -0.01020    0.01204
 64 O    -0.01906   -0.01012    0.01142
 65 O    -0.00025   -0.02258   -0.01612
 66 O    -0.00092   -0.00255    0.00782
 67 Pt   -0.00034    0.11046   -0.10016
 68 Pt    0.00095   -0.00431   -0.11193
 69 O    -0.05211   -0.14751    0.62733
 70 O     0.04692   -0.14549    0.62727
 71 O     0.00049   -0.02559   -0.00135
 72 N    -0.00094   -0.00118    0.04599
 73 N     0.00979    0.05322   -0.01893
 74 O    -0.00392    0.03131    0.00858

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.250736    3.153734   26.354277    ( 0.0000,  0.0000,  0.0000)
  73 N      3.273753    3.963131   25.551637    ( 0.0000,  0.0000,  0.0000)
  74 O      3.299413    4.814733   24.712201    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -4.47   +inf  -418.598237    3      1      
iter:   2  08:32:40  -4.15  -3.22  -418.771919    2      1      
iter:   3  08:37:18  -4.43  -2.46  -418.592967    3      1      
iter:   4  08:41:55  -5.24  -4.35  -418.592455    2      1      
iter:   5  08:46:33  -5.56  -4.50  -418.593028    3      1      
iter:   6  08:51:10  -6.03  -4.31  -418.592540    2      1      
iter:   7  08:55:47  -6.51  -4.65  -418.592587    2      1      
iter:   8  09:00:25  -6.88  -4.89  -418.592543    2      1      
iter:   9  09:05:02  -6.96  -4.56  -418.592529    2      1      
iter:  10  09:09:40  -7.19  -4.69  -418.592552    2      1      
iter:  11  09:14:18  -7.27  -5.09  -418.592512    2      1      
iter:  12  09:18:56  -7.55  -5.21  -418.592566    2      1      

Converged after 12 iterations.

Dipole moment: (-55.902777, -33.074013, 0.044860) |e|*Ang

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

Kinetic:        +23.832089
Potential:     -141.171452
External:        +0.000000
XC:            -311.464153
Entropy (-ST):   -1.628915
Local:          +11.025407
--------------------------
Free energy:   -419.407024
Extrapolated:  -418.592566

Fermi level: -6.50008

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56493    0.14593
  0   343     -6.56145    0.14417
  0   344     -6.55202    0.13934
  0   345     -6.55034    0.13846

  1   342     -6.47466    0.19413
  1   343     -6.47194    0.19116
  1   344     -6.42137    0.13901
  1   345     -6.38495    0.10678



Forces in eV/Ang:
  0 O    -0.00001   -0.01813    1.17998
  1 Pt   -0.00014   -0.00204   -0.39155
  2 Pt   -0.00003   -0.01908   -0.44196
  3 O    -1.68296    0.00035   -0.71789
  4 O     1.68299    0.00035   -0.71792
  5 O     0.00011   -0.04178   -1.39833
  6 O    -0.00004    0.00133    1.77584
  7 Pt   -0.00002    0.01677    0.46950
  8 Pt   -0.00008    0.05894    0.96004
  9 O    -1.58327    0.00425    0.05747
 10 O     1.58316    0.00439    0.05753
 11 O     0.00013    0.01534   -0.61952
 12 O    -0.00052   -0.32464   -0.12627
 13 Pt   -0.00053    0.42248   -0.28774
 14 Pt    0.00074   -0.02187    0.01782
 15 O     0.00416    0.00107    0.01436
 16 O    -0.00256   -0.00037    0.01246
 17 O     0.02231    0.19273   -1.15948
 18 O     0.00069   -0.00880    0.02746
 19 Pt    0.00061    0.01274    0.06561
 20 Pt   -0.00770   -0.58874    0.15034
 21 O    -0.34349    0.55109    0.36666
 22 O     0.34563    0.55033    0.36539
 23 O    -0.00007    0.02229   -0.00111
 24 O     0.00002   -0.00084    1.15501
 25 Pt   -0.00016    0.02744   -0.39267
 26 Pt    0.00000   -0.00104   -0.43493
 27 O    -1.69124    0.01329   -0.71744
 28 O     1.69127    0.01330   -0.71749
 29 O     0.00012    0.03551   -1.40043
 30 O    -0.00003   -0.00095    1.82708
 31 Pt   -0.00002    0.01113    0.53938
 32 Pt    0.00017   -0.11867    0.67647
 33 O    -1.60198   -0.01997    0.04510
 34 O     1.60183   -0.02011    0.04514
 35 O     0.00024   -0.01350   -0.69102
 36 O    -0.00075    0.26197    0.05512
 37 Pt   -0.00002   -0.20067   -0.06764
 38 Pt   -0.00001    0.01571    0.04476
 39 O     0.05205    0.00237   -0.00362
 40 O    -0.05089    0.00397   -0.00533
 41 O     0.00044   -0.20065   -0.47271
 42 O    -0.00156   -0.03677    0.04465
 43 Pt    0.00129   -0.13129   -0.23243
 44 Pt    0.00145    0.09402   -0.90429
 45 O    -0.08232   -0.15021    0.68251
 46 O     0.08330   -0.15281    0.68034
 47 O     0.00202    0.01799    0.11164
 48 O     0.00003    0.01911    1.17564
 49 Pt   -0.00010   -0.02531   -0.39230
 50 Pt    0.00001    0.02043   -0.44189
 51 O    -1.69152   -0.01369   -0.71833
 52 O     1.69157   -0.01370   -0.71834
 53 O     0.00015    0.00643   -1.41511
 54 O    -0.00004   -0.00199    1.78560
 55 Pt    0.00014   -0.02475    0.52699
 56 Pt    0.00006    0.06255    0.80700
 57 O    -1.61087    0.01358    0.07151
 58 O     1.61081    0.01355    0.07123
 59 O     0.00019   -0.01183   -0.59572
 60 O    -0.00024    0.01603   -0.32981
 61 Pt    0.00029   -0.12288   -0.24832
 62 Pt    0.00015   -0.00588    0.00623
 63 O     0.01932   -0.01015    0.01187
 64 O    -0.01929   -0.01007    0.01126
 65 O    -0.00025   -0.02256   -0.01673
 66 O    -0.00093   -0.00253    0.00750
 67 Pt   -0.00034    0.11065   -0.09923
 68 Pt    0.00096   -0.00432   -0.11057
 69 O    -0.05215   -0.14752    0.62783
 70 O     0.04696   -0.14551    0.62784
 71 O     0.00050   -0.02562   -0.00084
 72 N    -0.00150    0.05964   -0.01295
 73 N    -0.00191   -0.02161    0.06479
 74 O    -0.00830    0.03661   -0.01427

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.251760    3.151729   26.352571    ( 0.0000,  0.0000,  0.0000)
  73 N      3.275180    3.962251   25.551526    ( 0.0000,  0.0000,  0.0000)
  74 O      3.300886    4.815572   24.713257    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:28:58  -4.48   +inf  -418.591071    3      1      
iter:   2  10:33:35  -4.95  -3.72  -418.606672    3      1      
iter:   3  10:38:12  -5.15  -3.09  -418.594548    3      1      
iter:   4  10:42:50  -5.63  -3.69  -418.592446    3      1      
iter:   5  10:47:27  -5.97  -4.78  -418.592383    2      1      
iter:   6  10:52:05  -6.38  -4.88  -418.592493    2      1      
iter:   7  10:56:43  -6.79  -4.82  -418.592432    2      1      
iter:   8  11:01:21  -7.06  -4.99  -418.592465    2      1      
iter:   9  11:05:58  -7.09  -5.25  -418.592485    2      1      
iter:  10  11:10:35  -7.58  -5.16  -418.592411    2      1      

Converged after 10 iterations.

Dipole moment: (-55.902624, -33.074058, 0.044559) |e|*Ang

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

Kinetic:        +23.864993
Potential:     -141.201449
External:        +0.000000
XC:            -311.465839
Entropy (-ST):   -1.629052
Local:          +11.024410
--------------------------
Free energy:   -419.406937
Extrapolated:  -418.592411

Fermi level: -6.50002

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56487    0.14592
  0   343     -6.56143    0.14419
  0   344     -6.55196    0.13933
  0   345     -6.55028    0.13846

  1   342     -6.47472    0.19425
  1   343     -6.47195    0.19123
  1   344     -6.42126    0.13897
  1   345     -6.38493    0.10681



Forces in eV/Ang:
  0 O    -0.00001   -0.01813    1.18024
  1 Pt   -0.00014   -0.00203   -0.39039
  2 Pt   -0.00003   -0.01908   -0.44106
  3 O    -1.68257    0.00036   -0.71770
  4 O     1.68260    0.00036   -0.71773
  5 O     0.00011   -0.04178   -1.39797
  6 O    -0.00004    0.00131    1.77740
  7 Pt   -0.00002    0.01677    0.47024
  8 Pt   -0.00008    0.05892    0.96045
  9 O    -1.58362    0.00422    0.05779
 10 O     1.58350    0.00436    0.05785
 11 O     0.00013    0.01533   -0.61902
 12 O    -0.00053   -0.32480   -0.12577
 13 Pt   -0.00053    0.42251   -0.28804
 14 Pt    0.00074   -0.02184    0.01760
 15 O     0.00387    0.00114    0.01421
 16 O    -0.00227   -0.00031    0.01232
 17 O     0.02232    0.19280   -1.16091
 18 O     0.00070   -0.00881    0.02754
 19 Pt    0.00064    0.01272    0.06404
 20 Pt   -0.00777   -0.58909    0.14759
 21 O    -0.34335    0.55108    0.36614
 22 O     0.34548    0.55035    0.36496
 23 O     0.00002    0.02213   -0.00230
 24 O     0.00002   -0.00086    1.15528
 25 Pt   -0.00016    0.02745   -0.39151
 26 Pt    0.00000   -0.00106   -0.43399
 27 O    -1.69085    0.01328   -0.71725
 28 O     1.69088    0.01329   -0.71730
 29 O     0.00012    0.03552   -1.40002
 30 O    -0.00003   -0.00091    1.82882
 31 Pt   -0.00003    0.01114    0.54014
 32 Pt    0.00017   -0.11862    0.67683
 33 O    -1.60232   -0.01995    0.04545
 34 O     1.60217   -0.02008    0.04548
 35 O     0.00024   -0.01348   -0.69058
 36 O    -0.00075    0.26191    0.05567
 37 Pt   -0.00001   -0.20073   -0.06815
 38 Pt   -0.00001    0.01562    0.04455
 39 O     0.05176    0.00233   -0.00370
 40 O    -0.05060    0.00394   -0.00540
 41 O     0.00048   -0.20083   -0.47582
 42 O    -0.00154   -0.03681    0.04479
 43 Pt    0.00143   -0.13120   -0.23427
 44 Pt    0.00121    0.09419   -0.90795
 45 O    -0.08228   -0.15033    0.68245
 46 O     0.08317   -0.15289    0.68047
 47 O     0.00229    0.01803    0.11032
 48 O     0.00002    0.01913    1.17590
 49 Pt   -0.00010   -0.02532   -0.39111
 50 Pt    0.00001    0.02045   -0.44094
 51 O    -1.69110   -0.01370   -0.71813
 52 O     1.69115   -0.01371   -0.71813
 53 O     0.00015    0.00642   -1.41472
 54 O    -0.00004   -0.00201    1.78731
 55 Pt    0.00014   -0.02476    0.52773
 56 Pt    0.00006    0.06252    0.80737
 57 O    -1.61126    0.01358    0.07185
 58 O     1.61120    0.01355    0.07157
 59 O     0.00019   -0.01183   -0.59528
 60 O    -0.00024    0.01628   -0.32939
 61 Pt    0.00029   -0.12288   -0.24878
 62 Pt    0.00014   -0.00582    0.00601
 63 O     0.01905   -0.01018    0.01178
 64 O    -0.01902   -0.01010    0.01117
 65 O    -0.00025   -0.02251   -0.01840
 66 O    -0.00093   -0.00248    0.00766
 67 Pt   -0.00025    0.11060   -0.10097
 68 Pt    0.00096   -0.00420   -0.11281
 69 O    -0.05190   -0.14739    0.62708
 70 O     0.04665   -0.14547    0.62733
 71 O     0.00054   -0.02553   -0.00185
 72 N    -0.00893    0.04118    0.01177
 73 N    -0.01068    0.00906    0.03506
 74 O    -0.01875    0.01138   -0.00554

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.253143    3.148803   26.350196    ( 0.0000,  0.0000,  0.0000)
  73 N      3.277101    3.961054   25.551325    ( 0.0000,  0.0000,  0.0000)
  74 O      3.302853    4.816563   24.714756    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:48:15  -4.21   +inf  -418.595147    3      1      
iter:   2  11:52:52  -4.61  -3.56  -418.624014    3      1      
iter:   3  11:57:29  -4.84  -2.83  -418.590969    3      1      
iter:   4  12:02:06  -5.40  -3.74  -418.592367    3      1      
iter:   5  12:06:44  -5.93  -4.74  -418.592275    2      1      
iter:   6  12:11:22  -6.01  -4.78  -418.592268    2      1      
iter:   7  12:16:00  -6.19  -4.94  -418.592294    2      1      
iter:   8  12:20:36  -6.70  -5.13  -418.592277    2      1      
iter:   9  12:25:14  -7.18  -5.26  -418.592315    2      1      
iter:  10  12:29:51  -7.59  -5.07  -418.592244    2      1      

Converged after 10 iterations.

Dipole moment: (-55.902520, -33.074341, 0.045225) |e|*Ang

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

Kinetic:        +23.865239
Potential:     -141.202535
External:        +0.000000
XC:            -311.465145
Entropy (-ST):   -1.629043
Local:          +11.024719
--------------------------
Free energy:   -419.406766
Extrapolated:  -418.592244

Fermi level: -6.49948

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56430    0.14591
  0   343     -6.56086    0.14418
  0   344     -6.55144    0.13934
  0   345     -6.54974    0.13846

  1   342     -6.47418    0.19426
  1   343     -6.47137    0.19119
  1   344     -6.42076    0.13900
  1   345     -6.38437    0.10680



Forces in eV/Ang:
  0 O    -0.00001   -0.01813    1.17991
  1 Pt   -0.00014   -0.00202   -0.39103
  2 Pt   -0.00003   -0.01909   -0.44163
  3 O    -1.68246    0.00036   -0.71807
  4 O     1.68249    0.00036   -0.71810
  5 O     0.00011   -0.04179   -1.39855
  6 O    -0.00004    0.00131    1.77721
  7 Pt   -0.00002    0.01676    0.47032
  8 Pt   -0.00008    0.05893    0.96088
  9 O    -1.58344    0.00423    0.05770
 10 O     1.58332    0.00436    0.05776
 11 O     0.00013    0.01533   -0.61872
 12 O    -0.00053   -0.32469   -0.12529
 13 Pt   -0.00053    0.42251   -0.28703
 14 Pt    0.00074   -0.02179    0.01797
 15 O     0.00398    0.00111    0.01496
 16 O    -0.00238   -0.00033    0.01306
 17 O     0.02232    0.19283   -1.15905
 18 O     0.00069   -0.00879    0.02835
 19 Pt    0.00065    0.01268    0.06487
 20 Pt   -0.00779   -0.58913    0.14790
 21 O    -0.34357    0.55112    0.36642
 22 O     0.34568    0.55039    0.36525
 23 O     0.00001    0.02217   -0.00223
 24 O     0.00002   -0.00086    1.15494
 25 Pt   -0.00016    0.02743   -0.39216
 26 Pt    0.00000   -0.00105   -0.43457
 27 O    -1.69074    0.01328   -0.71762
 28 O     1.69077    0.01329   -0.71767
 29 O     0.00012    0.03552   -1.40059
 30 O    -0.00003   -0.00092    1.82855
 31 Pt   -0.00003    0.01116    0.54025
 32 Pt    0.00017   -0.11864    0.67732
 33 O    -1.60216   -0.01994    0.04536
 34 O     1.60200   -0.02007    0.04540
 35 O     0.00024   -0.01347   -0.69023
 36 O    -0.00075    0.26189    0.05615
 37 Pt   -0.00002   -0.20069   -0.06700
 38 Pt   -0.00000    0.01565    0.04485
 39 O     0.05187    0.00238   -0.00292
 40 O    -0.05071    0.00398   -0.00462
 41 O     0.00049   -0.20081   -0.47329
 42 O    -0.00155   -0.03680    0.04562
 43 Pt    0.00146   -0.13113   -0.23351
 44 Pt    0.00122    0.09441   -0.90705
 45 O    -0.08243   -0.15023    0.68257
 46 O     0.08334   -0.15279    0.68057
 47 O     0.00240    0.01803    0.11036
 48 O     0.00002    0.01913    1.17556
 49 Pt   -0.00010   -0.02532   -0.39177
 50 Pt    0.00001    0.02045   -0.44154
 51 O    -1.69101   -0.01369   -0.71851
 52 O     1.69106   -0.01370   -0.71851
 53 O     0.00015    0.00642   -1.41529
 54 O    -0.00004   -0.00200    1.78702
 55 Pt    0.00014   -0.02477    0.52784
 56 Pt    0.00006    0.06253    0.80783
 57 O    -1.61106    0.01357    0.07176
 58 O     1.61100    0.01354    0.07148
 59 O     0.00019   -0.01184   -0.59495
 60 O    -0.00024    0.01621   -0.32890
 61 Pt    0.00029   -0.12291   -0.24767
 62 Pt    0.00014   -0.00589    0.00641
 63 O     0.01914   -0.01020    0.01255
 64 O    -0.01911   -0.01012    0.01194
 65 O    -0.00025   -0.02257   -0.01647
 66 O    -0.00093   -0.00250    0.00849
 67 Pt   -0.00025    0.11058   -0.09997
 68 Pt    0.00098   -0.00427   -0.11232
 69 O    -0.05211   -0.14753    0.62737
 70 O     0.04685   -0.14559    0.62766
 71 O     0.00055   -0.02557   -0.00184
 72 N    -0.00704    0.02347    0.01743
 73 N    -0.02060    0.04469   -0.00119
 74 O    -0.02386   -0.01541    0.00578

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.254420    3.145865   26.347592    ( 0.0000,  0.0000,  0.0000)
  73 N      3.278522    3.960079   25.550986    ( 0.0000,  0.0000,  0.0000)
  74 O      3.304354    4.816884   24.716074    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:35:35  -4.30   +inf  -418.594560    3      1      
iter:   2  13:40:14  -4.95  -3.77  -418.590021    3      1      
iter:   3  13:44:53  -5.32  -3.62  -418.592506    3      1      
iter:   4  13:49:30  -5.79  -3.82  -418.592125    2      1      
iter:   5  13:54:10  -5.99  -4.63  -418.592097    2      1      
iter:   6  13:58:49  -6.16  -4.55  -418.592126    2      1      
iter:   7  14:03:28  -6.41  -4.95  -418.592128    2      1      
iter:   8  14:08:06  -6.63  -5.14  -418.592140    2      1      
iter:   9  14:12:44  -7.11  -5.09  -418.592116    2      1      
iter:  10  14:17:22  -7.55  -5.38  -418.592156    2      1      

Converged after 10 iterations.

Dipole moment: (-55.902478, -33.074020, 0.044586) |e|*Ang

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

Kinetic:        +23.936742
Potential:     -141.262871
External:        +0.000000
XC:            -311.477855
Entropy (-ST):   -1.628926
Local:          +11.026291
--------------------------
Free energy:   -419.406620
Extrapolated:  -418.592156

Fermi level: -6.49998

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56479    0.14591
  0   343     -6.56134    0.14417
  0   344     -6.55199    0.13937
  0   345     -6.55026    0.13847

  1   342     -6.47461    0.19418
  1   343     -6.47184    0.19116
  1   344     -6.42129    0.13904
  1   345     -6.38487    0.10679



Forces in eV/Ang:
  0 O    -0.00001   -0.01812    1.18028
  1 Pt   -0.00014   -0.00203   -0.39102
  2 Pt   -0.00003   -0.01909   -0.44138
  3 O    -1.68262    0.00035   -0.71793
  4 O     1.68264    0.00035   -0.71797
  5 O     0.00011   -0.04179   -1.39847
  6 O    -0.00004    0.00131    1.77712
  7 Pt   -0.00002    0.01676    0.47019
  8 Pt   -0.00008    0.05892    0.96053
  9 O    -1.58326    0.00423    0.05761
 10 O     1.58314    0.00437    0.05768
 11 O     0.00013    0.01533   -0.61899
 12 O    -0.00053   -0.32475   -0.12569
 13 Pt   -0.00053    0.42252   -0.28700
 14 Pt    0.00074   -0.02179    0.01836
 15 O     0.00409    0.00111    0.01453
 16 O    -0.00249   -0.00033    0.01263
 17 O     0.02231    0.19286   -1.15876
 18 O     0.00070   -0.00874    0.02797
 19 Pt    0.00065    0.01266    0.06426
 20 Pt   -0.00778   -0.58955    0.14565
 21 O    -0.34375    0.55117    0.36610
 22 O     0.34588    0.55043    0.36487
 23 O    -0.00002    0.02202   -0.00337
 24 O     0.00002   -0.00085    1.15531
 25 Pt   -0.00016    0.02744   -0.39214
 26 Pt    0.00000   -0.00105   -0.43432
 27 O    -1.69089    0.01329   -0.71749
 28 O     1.69092    0.01329   -0.71754
 29 O     0.00012    0.03552   -1.40054
 30 O    -0.00003   -0.00091    1.82844
 31 Pt   -0.00003    0.01115    0.54011
 32 Pt    0.00017   -0.11862    0.67695
 33 O    -1.60198   -0.01995    0.04528
 34 O     1.60182   -0.02008    0.04532
 35 O     0.00024   -0.01347   -0.69051
 36 O    -0.00076    0.26199    0.05576
 37 Pt   -0.00003   -0.20067   -0.06695
 38 Pt   -0.00000    0.01564    0.04527
 39 O     0.05196    0.00238   -0.00332
 40 O    -0.05079    0.00398   -0.00503
 41 O     0.00046   -0.20086   -0.47272
 42 O    -0.00154   -0.03682    0.04521
 43 Pt    0.00142   -0.13118   -0.23509
 44 Pt    0.00129    0.09507   -0.90994
 45 O    -0.08262   -0.15022    0.68160
 46 O     0.08352   -0.15278    0.67959
 47 O     0.00233    0.01817    0.10904
 48 O     0.00002    0.01912    1.17594
 49 Pt   -0.00010   -0.02532   -0.39176
 50 Pt    0.00001    0.02045   -0.44128
 51 O    -1.69117   -0.01369   -0.71837
 52 O     1.69122   -0.01370   -0.71838
 53 O     0.00015    0.00643   -1.41522
 54 O    -0.00004   -0.00200    1.78693
 55 Pt    0.00014   -0.02476    0.52770
 56 Pt    0.00006    0.06253    0.80746
 57 O    -1.61088    0.01357    0.07168
 58 O     1.61082    0.01355    0.07140
 59 O     0.00019   -0.01185   -0.59523
 60 O    -0.00024    0.01616   -0.32931
 61 Pt    0.00028   -0.12294   -0.24761
 62 Pt    0.00015   -0.00588    0.00675
 63 O     0.01924   -0.01020    0.01210
 64 O    -0.01922   -0.01012    0.01149
 65 O    -0.00025   -0.02257   -0.01576
 66 O    -0.00092   -0.00253    0.00811
 67 Pt   -0.00028    0.11063   -0.10080
 68 Pt    0.00096   -0.00427   -0.11358
 69 O    -0.05227   -0.14754    0.62701
 70 O     0.04701   -0.14560    0.62720
 71 O     0.00053   -0.02553   -0.00282
 72 N    -0.00604    0.01324    0.01326
 73 N    -0.02560    0.04381   -0.01039
 74 O    -0.02474   -0.00372   -0.00755

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.255737    3.142890   26.344936    ( 0.0000,  0.0000,  0.0000)
  73 N      3.279971    3.959081   25.550636    ( 0.0000,  0.0000,  0.0000)
  74 O      3.305899    4.817311   24.717361    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -4.29   +inf  -418.592536    2      1      
iter:   2  15:02:12  -4.66  -3.57  -418.625298    3      1      
iter:   3  15:06:49  -4.94  -2.82  -418.592824    2      1      
iter:   4  15:11:26  -5.57  -4.18  -418.591975    3      1      
iter:   5  15:16:04  -5.93  -4.66  -418.592005    2      1      
iter:   6  15:20:41  -6.08  -4.65  -418.592045    2      1      
iter:   7  15:25:20  -6.33  -4.80  -418.592018    2      1      
iter:   8  15:29:58  -6.65  -4.90  -418.592024    2      1      
iter:   9  15:34:36  -7.09  -5.01  -418.592028    2      1      
iter:  10  15:39:15  -7.45  -5.32  -418.592020    2      1      

Converged after 10 iterations.

Dipole moment: (-55.902453, -33.073801, 0.044549) |e|*Ang

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

Kinetic:        +23.978049
Potential:     -141.295795
External:        +0.000000
XC:            -311.486199
Entropy (-ST):   -1.629000
Local:          +11.026425
--------------------------
Free energy:   -419.406520
Extrapolated:  -418.592020

Fermi level: -6.49987

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56466    0.14590
  0   343     -6.56125    0.14418
  0   344     -6.55190    0.13938
  0   345     -6.55016    0.13847

  1   342     -6.47456    0.19424
  1   343     -6.47175    0.19118
  1   344     -6.42118    0.13904
  1   345     -6.38478    0.10680



Forces in eV/Ang:
  0 O    -0.00001   -0.01812    1.18041
  1 Pt   -0.00015   -0.00203   -0.39070
  2 Pt   -0.00003   -0.01909   -0.44109
  3 O    -1.68231    0.00036   -0.71780
  4 O     1.68233    0.00036   -0.71783
  5 O     0.00011   -0.04177   -1.39858
  6 O    -0.00004    0.00131    1.77791
  7 Pt   -0.00002    0.01677    0.47018
  8 Pt   -0.00007    0.05893    0.96045
  9 O    -1.58343    0.00423    0.05730
 10 O     1.58332    0.00437    0.05736
 11 O     0.00012    0.01533   -0.61950
 12 O    -0.00053   -0.32477   -0.12633
 13 Pt   -0.00053    0.42252   -0.28774
 14 Pt    0.00074   -0.02181    0.01776
 15 O     0.00387    0.00113    0.01399
 16 O    -0.00227   -0.00031    0.01209
 17 O     0.02231    0.19286   -1.15927
 18 O     0.00070   -0.00879    0.02728
 19 Pt    0.00064    0.01267    0.06393
 20 Pt   -0.00776   -0.58970    0.14548
 21 O    -0.34376    0.55117    0.36572
 22 O     0.34589    0.55044    0.36451
 23 O    -0.00003    0.02202   -0.00333
 24 O     0.00002   -0.00086    1.15544
 25 Pt   -0.00016    0.02745   -0.39182
 26 Pt    0.00000   -0.00106   -0.43402
 27 O    -1.69059    0.01328   -0.71736
 28 O     1.69062    0.01328   -0.71741
 29 O     0.00012    0.03552   -1.40065
 30 O    -0.00003   -0.00092    1.82929
 31 Pt   -0.00003    0.01114    0.54008
 32 Pt    0.00017   -0.11863    0.67687
 33 O    -1.60215   -0.01995    0.04497
 34 O     1.60199   -0.02008    0.04500
 35 O     0.00024   -0.01348   -0.69103
 36 O    -0.00075    0.26196    0.05513
 37 Pt   -0.00003   -0.20061   -0.06775
 38 Pt   -0.00001    0.01562    0.04468
 39 O     0.05172    0.00234   -0.00383
 40 O    -0.05055    0.00394   -0.00554
 41 O     0.00046   -0.20090   -0.47336
 42 O    -0.00154   -0.03682    0.04453
 43 Pt    0.00139   -0.13122   -0.23536
 44 Pt    0.00135    0.09524   -0.90951
 45 O    -0.08262   -0.15022    0.68151
 46 O     0.08354   -0.15279    0.67946
 47 O     0.00239    0.01815    0.10924
 48 O     0.00002    0.01912    1.17607
 49 Pt   -0.00010   -0.02532   -0.39143
 50 Pt    0.00001    0.02045   -0.44099
 51 O    -1.69085   -0.01369   -0.71824
 52 O     1.69090   -0.01370   -0.71824
 53 O     0.00015    0.00641   -1.41534
 54 O    -0.00004   -0.00200    1.78777
 55 Pt    0.00014   -0.02476    0.52767
 56 Pt    0.00007    0.06252    0.80739
 57 O    -1.61106    0.01357    0.07136
 58 O     1.61100    0.01355    0.07108
 59 O     0.00019   -0.01183   -0.59574
 60 O    -0.00024    0.01622   -0.32993
 61 Pt    0.00028   -0.12301   -0.24837
 62 Pt    0.00014   -0.00584    0.00614
 63 O     0.01903   -0.01018    0.01155
 64 O    -0.01900   -0.01011    0.01094
 65 O    -0.00025   -0.02251   -0.01639
 66 O    -0.00093   -0.00248    0.00742
 67 Pt   -0.00032    0.11065   -0.10102
 68 Pt    0.00099   -0.00424   -0.11388
 69 O    -0.05231   -0.14759    0.62667
 70 O     0.04705   -0.14564    0.62688
 71 O     0.00053   -0.02552   -0.00278
 72 N    -0.00707   -0.01056    0.00979
 73 N    -0.03291    0.04494   -0.02223
 74 O    -0.02201    0.00049   -0.00995

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.256860    3.139724   26.342034    ( 0.0000,  0.0000,  0.0000)
  73 N      3.280689    3.958090   25.550340    ( 0.0000,  0.0000,  0.0000)
  74 O      3.306970    4.817730   24.717990    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -4.35   +inf  -418.596967    2      1      
iter:   2  16:26:14  -4.23  -3.29  -418.726241    3      1      
iter:   3  16:30:51  -4.47  -2.52  -418.591668    3      1      
iter:   4  16:35:30  -5.28  -4.26  -418.592175    2      1      
iter:   5  16:40:08  -5.74  -4.66  -418.591931    2      1      
iter:   6  16:44:45  -6.00  -4.73  -418.592000    2      1      
iter:   7  16:49:23  -6.33  -4.84  -418.592018    2      1      
iter:   8  16:54:01  -6.63  -5.04  -418.591994    2      1      
iter:   9  16:58:40  -6.79  -5.13  -418.592037    2      1      
iter:  10  17:03:17  -7.16  -4.46  -418.592057    2      1      
iter:  11  17:07:55  -7.46  -5.16  -418.591974    2      1      

Converged after 11 iterations.

Dipole moment: (-55.902492, -33.074075, 0.046005) |e|*Ang

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

Kinetic:        +23.957382
Potential:     -141.277207
External:        +0.000000
XC:            -311.483114
Entropy (-ST):   -1.629023
Local:          +11.025476
--------------------------
Free energy:   -419.406485
Extrapolated:  -418.591974

Fermi level: -6.49883

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56366    0.14592
  0   343     -6.56022    0.14418
  0   344     -6.55078    0.13934
  0   345     -6.54909    0.13846

  1   342     -6.47349    0.19422
  1   343     -6.47076    0.19124
  1   344     -6.42008    0.13898
  1   345     -6.38374    0.10681



Forces in eV/Ang:
  0 O    -0.00001   -0.01812    1.18018
  1 Pt   -0.00015   -0.00202   -0.39091
  2 Pt   -0.00003   -0.01908   -0.44138
  3 O    -1.68257    0.00036   -0.71799
  4 O     1.68259    0.00036   -0.71803
  5 O     0.00011   -0.04177   -1.39877
  6 O    -0.00004    0.00132    1.77653
  7 Pt   -0.00002    0.01676    0.46950
  8 Pt   -0.00007    0.05890    0.96004
  9 O    -1.58356    0.00422    0.05702
 10 O     1.58345    0.00436    0.05708
 11 O     0.00012    0.01533   -0.61993
 12 O    -0.00053   -0.32484   -0.12658
 13 Pt   -0.00053    0.42255   -0.28820
 14 Pt    0.00074   -0.02183    0.01764
 15 O     0.00397    0.00112    0.01395
 16 O    -0.00237   -0.00033    0.01205
 17 O     0.02231    0.19288   -1.16079
 18 O     0.00070   -0.00883    0.02736
 19 Pt    0.00065    0.01261    0.06399
 20 Pt   -0.00777   -0.58965    0.14645
 21 O    -0.34343    0.55112    0.36583
 22 O     0.34555    0.55039    0.36461
 23 O    -0.00002    0.02212   -0.00232
 24 O     0.00002   -0.00086    1.15522
 25 Pt   -0.00016    0.02744   -0.39203
 26 Pt    0.00000   -0.00107   -0.43431
 27 O    -1.69085    0.01327   -0.71755
 28 O     1.69088    0.01328   -0.71760
 29 O     0.00012    0.03552   -1.40082
 30 O    -0.00003   -0.00092    1.82791
 31 Pt   -0.00003    0.01114    0.53940
 32 Pt    0.00017   -0.11862    0.67648
 33 O    -1.60227   -0.01994    0.04467
 34 O     1.60211   -0.02007    0.04471
 35 O     0.00024   -0.01348   -0.69145
 36 O    -0.00075    0.26196    0.05489
 37 Pt   -0.00003   -0.20056   -0.06824
 38 Pt   -0.00000    0.01564    0.04460
 39 O     0.05187    0.00235   -0.00398
 40 O    -0.05070    0.00396   -0.00569
 41 O     0.00047   -0.20095   -0.47589
 42 O    -0.00153   -0.03681    0.04463
 43 Pt    0.00140   -0.13120   -0.23484
 44 Pt    0.00132    0.09512   -0.90781
 45 O    -0.08231   -0.15025    0.68192
 46 O     0.08320   -0.15281    0.67992
 47 O     0.00243    0.01812    0.11050
 48 O     0.00003    0.01912    1.17583
 49 Pt   -0.00010   -0.02532   -0.39164
 50 Pt    0.00001    0.02046   -0.44127
 51 O    -1.69111   -0.01369   -0.71844
 52 O     1.69116   -0.01369   -0.71844
 53 O     0.00015    0.00640   -1.41552
 54 O    -0.00004   -0.00201    1.78643
 55 Pt    0.00014   -0.02476    0.52700
 56 Pt    0.00007    0.06254    0.80698
 57 O    -1.61119    0.01357    0.07106
 58 O     1.61113    0.01355    0.07078
 59 O     0.00019   -0.01183   -0.59618
 60 O    -0.00024    0.01628   -0.33021
 61 Pt    0.00027   -0.12309   -0.24893
 62 Pt    0.00015   -0.00585    0.00602
 63 O     0.01913   -0.01018    0.01148
 64 O    -0.01910   -0.01010    0.01087
 65 O    -0.00025   -0.02251   -0.01807
 66 O    -0.00092   -0.00245    0.00750
 67 Pt   -0.00029    0.11069   -0.10071
 68 Pt    0.00097   -0.00428   -0.11303
 69 O    -0.05203   -0.14755    0.62685
 70 O     0.04675   -0.14562    0.62709
 71 O     0.00054   -0.02562   -0.00182
 72 N    -0.01763   -0.02580    0.03933
 73 N    -0.03118    0.07120   -0.06083
 74 O    -0.02540   -0.01739    0.01580

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.257756    3.136734   26.339372    ( 0.0000,  0.0000,  0.0000)
  73 N      3.281240    3.957189   25.549898    ( 0.0000,  0.0000,  0.0000)
  74 O      3.307823    4.817888   24.718709    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -4.43   +inf  -418.593678    3      1      
iter:   2  17:54:54  -4.87  -3.72  -418.606301    3      1      
iter:   3  17:59:32  -5.06  -3.00  -418.590922    2      1      
iter:   4  18:04:09  -5.63  -3.90  -418.591963    3      1      
iter:   5  18:08:46  -6.07  -4.87  -418.591922    2      1      
iter:   6  18:13:23  -6.21  -4.78  -418.591945    2      1      
iter:   7  18:18:00  -6.47  -5.09  -418.591935    2      1      
iter:   8  18:22:40  -6.77  -5.16  -418.591931    2      1      
iter:   9  18:27:19  -7.12  -5.12  -418.591971    2      1      
iter:  10  18:31:57  -7.50  -5.28  -418.591912    2      1      

Converged after 10 iterations.

Dipole moment: (-55.902544, -33.073879, 0.045882) |e|*Ang

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

Kinetic:        +23.969807
Potential:     -141.288543
External:        +0.000000
XC:            -311.485358
Entropy (-ST):   -1.629017
Local:          +11.026691
--------------------------
Free energy:   -419.406420
Extrapolated:  -418.591912

Fermi level: -6.49886

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56366    0.14590
  0   343     -6.56022    0.14417
  0   344     -6.55086    0.13937
  0   345     -6.54913    0.13846

  1   342     -6.47356    0.19426
  1   343     -6.47076    0.19120
  1   344     -6.42015    0.13902
  1   345     -6.38376    0.10680



Forces in eV/Ang:
  0 O    -0.00001   -0.01813    1.18001
  1 Pt   -0.00015   -0.00203   -0.39077
  2 Pt   -0.00003   -0.01910   -0.44140
  3 O    -1.68236    0.00036   -0.71797
  4 O     1.68239    0.00036   -0.71800
  5 O     0.00011   -0.04177   -1.39853
  6 O    -0.00004    0.00132    1.77775
  7 Pt   -0.00002    0.01676    0.47041
  8 Pt   -0.00007    0.05893    0.96076
  9 O    -1.58344    0.00423    0.05770
 10 O     1.58332    0.00437    0.05776
 11 O     0.00012    0.01533   -0.61859
 12 O    -0.00053   -0.32476   -0.12533
 13 Pt   -0.00053    0.42254   -0.28691
 14 Pt    0.00074   -0.02181    0.01819
 15 O     0.00390    0.00112    0.01482
 16 O    -0.00229   -0.00032    0.01292
 17 O     0.02230    0.19280   -1.15883
 18 O     0.00070   -0.00877    0.02802
 19 Pt    0.00063    0.01261    0.06478
 20 Pt   -0.00772   -0.58961    0.14689
 21 O    -0.34369    0.55113    0.36621
 22 O     0.34582    0.55039    0.36498
 23 O    -0.00006    0.02214   -0.00264
 24 O     0.00002   -0.00085    1.15505
 25 Pt   -0.00016    0.02744   -0.39187
 26 Pt    0.00000   -0.00105   -0.43432
 27 O    -1.69063    0.01327   -0.71752
 28 O     1.69067    0.01328   -0.71757
 29 O     0.00012    0.03551   -1.40057
 30 O    -0.00003   -0.00091    1.82917
 31 Pt   -0.00003    0.01116    0.54033
 32 Pt    0.00017   -0.11862    0.67715
 33 O    -1.60216   -0.01993    0.04537
 34 O     1.60201   -0.02006    0.04540
 35 O     0.00024   -0.01347   -0.69012
 36 O    -0.00075    0.26196    0.05608
 37 Pt   -0.00003   -0.20058   -0.06689
 38 Pt   -0.00000    0.01562    0.04502
 39 O     0.05175    0.00235   -0.00299
 40 O    -0.05058    0.00396   -0.00470
 41 O     0.00045   -0.20085   -0.47318
 42 O    -0.00155   -0.03685    0.04530
 43 Pt    0.00133   -0.13122   -0.23434
 44 Pt    0.00144    0.09526   -0.90753
 45 O    -0.08252   -0.15014    0.68205
 46 O     0.08344   -0.15272    0.67998
 47 O     0.00235    0.01812    0.11000
 48 O     0.00003    0.01913    1.17567
 49 Pt   -0.00010   -0.02531   -0.39149
 50 Pt    0.00001    0.02046   -0.44130
 51 O    -1.69090   -0.01369   -0.71841
 52 O     1.69095   -0.01369   -0.71841
 53 O     0.00015    0.00642   -1.41529
 54 O    -0.00004   -0.00201    1.78759
 55 Pt    0.00014   -0.02477    0.52793
 56 Pt    0.00007    0.06252    0.80770
 57 O    -1.61107    0.01356    0.07176
 58 O     1.61101    0.01353    0.07148
 59 O     0.00019   -0.01184   -0.59482
 60 O    -0.00024    0.01622   -0.32892
 61 Pt    0.00027   -0.12306   -0.24756
 62 Pt    0.00015   -0.00584    0.00656
 63 O     0.01907   -0.01019    0.01241
 64 O    -0.01904   -0.01011    0.01180
 65 O    -0.00025   -0.02253   -0.01586
 66 O    -0.00092   -0.00247    0.00819
 67 Pt   -0.00034    0.11071   -0.09994
 68 Pt    0.00099   -0.00430   -0.11250
 69 O    -0.05230   -0.14764    0.62728
 70 O     0.04704   -0.14567    0.62747
 71 O     0.00053   -0.02562   -0.00218
 72 N    -0.02789   -0.01867    0.05815
 73 N    -0.02774    0.06472   -0.07739
 74 O    -0.02421   -0.01608    0.01896

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.258345    3.134136   26.337053    ( 0.0000,  0.0000,  0.0000)
  73 N      3.281510    3.956177   25.549384    ( 0.0000,  0.0000,  0.0000)
  74 O      3.308377    4.817902   24.719163    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:42:06  -4.56   +inf  -418.595107    2      1      
iter:   2  19:46:45  -4.56  -3.46  -418.648512    3      1      
iter:   3  19:51:25  -4.80  -2.70  -418.590972    3      1      
iter:   4  19:56:05  -5.49  -4.05  -418.591882    3      1      
iter:   5  20:00:42  -6.01  -4.82  -418.591814    2      1      
iter:   6  20:05:20  -6.23  -4.94  -418.591810    2      1      
iter:   7  20:09:57  -6.45  -4.92  -418.591847    2      1      
iter:   8  20:14:35  -6.80  -5.25  -418.591833    2      1      
iter:   9  20:19:13  -7.27  -5.30  -418.591829    2      1      
iter:  10  20:23:51  -7.62  -5.17  -418.591850    2      1      

Converged after 10 iterations.

Dipole moment: (-55.902594, -33.073817, 0.046290) |e|*Ang

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

Kinetic:        +23.978400
Potential:     -141.295543
External:        +0.000000
XC:            -311.486886
Entropy (-ST):   -1.628914
Local:          +11.026636
--------------------------
Free energy:   -419.406307
Extrapolated:  -418.591850

Fermi level: -6.49877

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56364    0.14593
  0   343     -6.56014    0.14418
  0   344     -6.55068    0.13932
  0   345     -6.54901    0.13845

  1   342     -6.47335    0.19412
  1   343     -6.47070    0.19123
  1   344     -6.42002    0.13898
  1   345     -6.38366    0.10679



Forces in eV/Ang:
  0 O    -0.00001   -0.01812    1.18026
  1 Pt   -0.00015   -0.00203   -0.39134
  2 Pt   -0.00003   -0.01909   -0.44183
  3 O    -1.68302    0.00036   -0.71815
  4 O     1.68305    0.00036   -0.71819
  5 O     0.00011   -0.04176   -1.39885
  6 O    -0.00004    0.00133    1.77469
  7 Pt   -0.00002    0.01676    0.46877
  8 Pt   -0.00007    0.05890    0.95938
  9 O    -1.58347    0.00423    0.05663
 10 O     1.58335    0.00436    0.05669
 11 O     0.00013    0.01533   -0.61991
 12 O    -0.00053   -0.32489   -0.12652
 13 Pt   -0.00053    0.42258   -0.28801
 14 Pt    0.00075   -0.02186    0.01787
 15 O     0.00411    0.00110    0.01411
 16 O    -0.00251   -0.00035    0.01221
 17 O     0.02232    0.19288   -1.16081
 18 O     0.00070   -0.00880    0.02782
 19 Pt    0.00063    0.01257    0.06451
 20 Pt   -0.00770   -0.58977    0.14683
 21 O    -0.34345    0.55111    0.36613
 22 O     0.34558    0.55036    0.36487
 23 O    -0.00009    0.02210   -0.00240
 24 O     0.00002   -0.00086    1.15530
 25 Pt   -0.00016    0.02743   -0.39246
 26 Pt    0.00000   -0.00106   -0.43477
 27 O    -1.69130    0.01327   -0.71772
 28 O     1.69133    0.01328   -0.71777
 29 O     0.00012    0.03552   -1.40092
 30 O    -0.00003   -0.00092    1.82605
 31 Pt   -0.00003    0.01115    0.53865
 32 Pt    0.00017   -0.11862    0.67581
 33 O    -1.60217   -0.01993    0.04428
 34 O     1.60202   -0.02007    0.04431
 35 O     0.00024   -0.01348   -0.69142
 36 O    -0.00076    0.26203    0.05488
 37 Pt   -0.00003   -0.20056   -0.06806
 38 Pt   -0.00000    0.01567    0.04481
 39 O     0.05203    0.00238   -0.00389
 40 O    -0.05086    0.00398   -0.00560
 41 O     0.00045   -0.20096   -0.47592
 42 O    -0.00155   -0.03683    0.04509
 43 Pt    0.00128   -0.13122   -0.23460
 44 Pt    0.00151    0.09538   -0.90771
 45 O    -0.08230   -0.15018    0.68218
 46 O     0.08323   -0.15276    0.68007
 47 O     0.00230    0.01811    0.11021
 48 O     0.00003    0.01912    1.17592
 49 Pt   -0.00010   -0.02531   -0.39207
 50 Pt    0.00001    0.02045   -0.44172
 51 O    -1.69156   -0.01368   -0.71860
 52 O     1.69161   -0.01369   -0.71861
 53 O     0.00015    0.00640   -1.41560
 54 O    -0.00004   -0.00201    1.78457
 55 Pt    0.00014   -0.02476    0.52625
 56 Pt    0.00007    0.06253    0.80633
 57 O    -1.61109    0.01356    0.07068
 58 O     1.61103    0.01354    0.07040
 59 O     0.00019   -0.01184   -0.59616
 60 O    -0.00024    0.01625   -0.33020
 61 Pt    0.00027   -0.12312   -0.24874
 62 Pt    0.00015   -0.00585    0.00625
 63 O     0.01927   -0.01018    0.01162
 64 O    -0.01924   -0.01011    0.01101
 65 O    -0.00025   -0.02252   -0.01778
 66 O    -0.00092   -0.00247    0.00797
 67 Pt   -0.00036    0.11074   -0.10031
 68 Pt    0.00099   -0.00428   -0.11261
 69 O    -0.05209   -0.14761    0.62716
 70 O     0.04684   -0.14563    0.62728
 71 O     0.00052   -0.02558   -0.00201
 72 N    -0.03671   -0.02128    0.07700
 73 N    -0.02302    0.06601   -0.09505
 74 O    -0.02445   -0.01822    0.02514

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.258165    3.133583   26.336912    ( 0.0000,  0.0000,  0.0000)
  73 N      3.281522    3.955880   25.548858    ( 0.0000,  0.0000,  0.0000)
  74 O      3.308326    4.817469   24.719720    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:15:24  -5.24   +inf  -418.595103    2      1      
iter:   2  21:20:03  -4.24  -3.25  -418.752367    3      1      
iter:   3  21:24:41  -4.41  -2.50  -418.592806    2      1      
iter:   4  21:29:20  -5.22  -4.16  -418.591536    3      1      
iter:   5  21:33:59  -5.74  -4.31  -418.591833    2      1      
iter:   6  21:38:37  -6.13  -4.71  -418.591803    2      1      
iter:   7  21:43:15  -6.65  -4.71  -418.591839    2      1      
iter:   8  21:47:53  -7.13  -5.06  -418.591850    2      1      
iter:   9  21:52:31  -7.07  -4.99  -418.591770    2      1      
iter:  10  21:57:08  -7.31  -4.76  -418.592013    2      1      
iter:  11  22:01:46  -7.32  -4.86  -418.591846    2      1      
iter:  12  22:06:24  -8.02  -5.48  -418.591856    2      1      

Converged after 12 iterations.

Dipole moment: (-55.902527, -33.073061, 0.044561) |e|*Ang

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

Kinetic:        +24.002079
Potential:     -141.314149
External:        +0.000000
XC:            -311.493390
Entropy (-ST):   -1.628966
Local:          +11.028086
--------------------------
Free energy:   -419.406339
Extrapolated:  -418.591856

Fermi level: -6.49999

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56480    0.14591
  0   343     -6.56136    0.14417
  0   344     -6.55197    0.13936
  0   345     -6.55025    0.13846

  1   342     -6.47464    0.19420
  1   343     -6.47190    0.19122
  1   344     -6.42127    0.13901
  1   345     -6.38488    0.10679



Forces in eV/Ang:
  0 O    -0.00000   -0.01813    1.18035
  1 Pt   -0.00015   -0.00203   -0.39044
  2 Pt   -0.00003   -0.01909   -0.44083
  3 O    -1.68260    0.00036   -0.71769
  4 O     1.68263    0.00036   -0.71772
  5 O     0.00011   -0.04177   -1.39801
  6 O    -0.00004    0.00131    1.77756
  7 Pt   -0.00002    0.01676    0.47034
  8 Pt   -0.00007    0.05890    0.96063
  9 O    -1.58342    0.00422    0.05775
 10 O     1.58330    0.00436    0.05781
 11 O     0.00012    0.01532   -0.61844
 12 O    -0.00052   -0.32477   -0.12523
 13 Pt   -0.00053    0.42256   -0.28720
 14 Pt    0.00074   -0.02182    0.01817
 15 O     0.00396    0.00111    0.01451
 16 O    -0.00236   -0.00033    0.01261
 17 O     0.02230    0.19279   -1.15926
 18 O     0.00070   -0.00880    0.02797
 19 Pt    0.00060    0.01258    0.06472
 20 Pt   -0.00765   -0.58981    0.14714
 21 O    -0.34367    0.55116    0.36628
 22 O     0.34581    0.55041    0.36499
 23 O    -0.00013    0.02210   -0.00280
 24 O     0.00002   -0.00085    1.15537
 25 Pt   -0.00016    0.02744   -0.39155
 26 Pt    0.00000   -0.00106   -0.43376
 27 O    -1.69088    0.01328   -0.71724
 28 O     1.69091    0.01329   -0.71729
 29 O     0.00012    0.03552   -1.40007
 30 O    -0.00003   -0.00092    1.82895
 31 Pt   -0.00003    0.01116    0.54026
 32 Pt    0.00017   -0.11861    0.67702
 33 O    -1.60213   -0.01994    0.04541
 34 O     1.60197   -0.02007    0.04545
 35 O     0.00024   -0.01347   -0.68995
 36 O    -0.00075    0.26198    0.05615
 37 Pt   -0.00004   -0.20056   -0.06723
 38 Pt   -0.00000    0.01564    0.04501
 39 O     0.05183    0.00235   -0.00336
 40 O    -0.05067    0.00396   -0.00506
 41 O     0.00042   -0.20087   -0.47428
 42 O    -0.00156   -0.03683    0.04525
 43 Pt    0.00119   -0.13133   -0.23464
 44 Pt    0.00169    0.09550   -0.90771
 45 O    -0.08245   -0.15011    0.68188
 46 O     0.08341   -0.15271    0.67967
 47 O     0.00217    0.01813    0.10977
 48 O     0.00003    0.01913    1.17601
 49 Pt   -0.00010   -0.02531   -0.39117
 50 Pt    0.00001    0.02045   -0.44073
 51 O    -1.69115   -0.01370   -0.71812
 52 O     1.69119   -0.01370   -0.71813
 53 O     0.00015    0.00642   -1.41476
 54 O    -0.00004   -0.00199    1.78741
 55 Pt    0.00014   -0.02477    0.52786
 56 Pt    0.00007    0.06254    0.80756
 57 O    -1.61105    0.01357    0.07182
 58 O     1.61099    0.01355    0.07154
 59 O     0.00019   -0.01183   -0.59468
 60 O    -0.00023    0.01620   -0.32880
 61 Pt    0.00027   -0.12312   -0.24796
 62 Pt    0.00015   -0.00585    0.00655
 63 O     0.01912   -0.01018    0.01206
 64 O    -0.01909   -0.01010    0.01145
 65 O    -0.00025   -0.02252   -0.01647
 66 O    -0.00092   -0.00246    0.00816
 67 Pt   -0.00044    0.11082   -0.10027
 68 Pt    0.00101   -0.00418   -0.11257
 69 O    -0.05225   -0.14772    0.62743
 70 O     0.04702   -0.14568    0.62743
 71 O     0.00049   -0.02557   -0.00251
 72 N    -0.03167    0.01048    0.03672
 73 N    -0.02444   -0.01033   -0.02513
 74 O    -0.02040    0.02576   -0.02159

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.257769    3.132026   26.336151    ( 0.0000,  0.0000,  0.0000)
  73 N      3.281238    3.954664   25.547991    ( 0.0000,  0.0000,  0.0000)
  74 O      3.308095    4.817021   24.719999    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:25:36  -4.91   +inf  -418.592158    3      1      
iter:   2  22:30:15  -5.15  -3.76  -418.604938    3      1      
iter:   3  22:34:54  -5.27  -3.02  -418.592237    2      1      
iter:   4  22:39:31  -5.97  -4.46  -418.591623    2      1      
iter:   5  22:44:08  -6.23  -4.53  -418.591868    3      1      
iter:   6  22:48:45  -6.92  -4.98  -418.591889    2      1      
iter:   7  22:53:22  -7.03  -5.17  -418.591845    2      1      
iter:   8  22:57:59  -7.05  -5.22  -418.591857    2      1      
iter:   9  23:02:37  -7.52  -4.95  -418.591894    2      1      

Converged after 9 iterations.

Dipole moment: (-55.902536, -33.072805, 0.044826) |e|*Ang

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

Kinetic:        +23.960191
Potential:     -141.277634
External:        +0.000000
XC:            -311.487245
Entropy (-ST):   -1.628901
Local:          +11.027245
--------------------------
Free energy:   -419.406345
Extrapolated:  -418.591894

Fermi level: -6.50026

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56521    0.14597
  0   343     -6.56165    0.14418
  0   344     -6.55201    0.13924
  0   345     -6.55045    0.13842

  1   342     -6.47480    0.19408
  1   343     -6.47225    0.19130
  1   344     -6.42143    0.13890
  1   345     -6.38513    0.10678



Forces in eV/Ang:
  0 O    -0.00000   -0.01813    1.18028
  1 Pt   -0.00015   -0.00203   -0.39139
  2 Pt   -0.00003   -0.01908   -0.44185
  3 O    -1.68369    0.00036   -0.71784
  4 O     1.68372    0.00036   -0.71788
  5 O     0.00011   -0.04173   -1.39825
  6 O    -0.00004    0.00138    1.77294
  7 Pt   -0.00002    0.01677    0.46850
  8 Pt   -0.00007    0.05893    0.95930
  9 O    -1.58346    0.00424    0.05701
 10 O     1.58334    0.00438    0.05707
 11 O     0.00013    0.01538   -0.61991
 12 O    -0.00052   -0.32495   -0.12630
 13 Pt   -0.00053    0.42263   -0.28864
 14 Pt    0.00074   -0.02194    0.01737
 15 O     0.00419    0.00111    0.01410
 16 O    -0.00258   -0.00033    0.01220
 17 O     0.02233    0.19284   -1.16314
 18 O     0.00070   -0.00882    0.02780
 19 Pt    0.00059    0.01260    0.06477
 20 Pt   -0.00762   -0.58981    0.14826
 21 O    -0.34312    0.55101    0.36627
 22 O     0.34527    0.55025    0.36496
 23 O    -0.00016    0.02218   -0.00166
 24 O     0.00002   -0.00085    1.15533
 25 Pt   -0.00016    0.02745   -0.39247
 26 Pt    0.00000   -0.00105   -0.43476
 27 O    -1.69196    0.01328   -0.71739
 28 O     1.69200    0.01329   -0.71744
 29 O     0.00012    0.03551   -1.40031
 30 O    -0.00003   -0.00092    1.82423
 31 Pt   -0.00003    0.01115    0.53834
 32 Pt    0.00017   -0.11862    0.67567
 33 O    -1.60217   -0.01993    0.04465
 34 O     1.60202   -0.02006    0.04469
 35 O     0.00024   -0.01348   -0.69144
 36 O    -0.00076    0.26202    0.05497
 37 Pt   -0.00003   -0.20054   -0.06893
 38 Pt   -0.00000    0.01567    0.04425
 39 O     0.05219    0.00234   -0.00411
 40 O    -0.05102    0.00395   -0.00581
 41 O     0.00042   -0.20100   -0.47924
 42 O    -0.00157   -0.03687    0.04502
 43 Pt    0.00114   -0.13146   -0.23398
 44 Pt    0.00174    0.09535   -0.90614
 45 O    -0.08197   -0.15012    0.68298
 46 O     0.08296   -0.15273    0.68071
 47 O     0.00211    0.01806    0.11122
 48 O     0.00003    0.01913    1.17594
 49 Pt   -0.00010   -0.02533   -0.39209
 50 Pt    0.00001    0.02044   -0.44175
 51 O    -1.69224   -0.01370   -0.71827
 52 O     1.69228   -0.01370   -0.71828
 53 O     0.00015    0.00638   -1.41503
 54 O    -0.00004   -0.00207    1.78277
 55 Pt    0.00014   -0.02477    0.52593
 56 Pt    0.00007    0.06251    0.80623
 57 O    -1.61110    0.01354    0.07105
 58 O     1.61104    0.01351    0.07077
 59 O     0.00019   -0.01188   -0.59615
 60 O    -0.00024    0.01630   -0.33005
 61 Pt    0.00027   -0.12320   -0.24955
 62 Pt    0.00015   -0.00577    0.00573
 63 O     0.01938   -0.01016    0.01153
 64 O    -0.01935   -0.01009    0.01092
 65 O    -0.00025   -0.02247   -0.01998
 66 O    -0.00092   -0.00243    0.00795
 67 Pt   -0.00046    0.11092   -0.10010
 68 Pt    0.00101   -0.00413   -0.11172
 69 O    -0.05191   -0.14766    0.62746
 70 O     0.04670   -0.14561    0.62744
 71 O     0.00048   -0.02559   -0.00135
 72 N    -0.03305    0.03027    0.01428
 73 N    -0.02080   -0.03650    0.01199
 74 O    -0.01900    0.02856   -0.02720

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                  NO               
             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      3.256951    3.129056   26.334734    ( 0.0000,  0.0000,  0.0000)
  73 N      3.280659    3.952269   25.546329    ( 0.0000,  0.0000,  0.0000)
  74 O      3.307610    4.816140   24.720516    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:44:59  -4.25   +inf  -418.624751    3      1      
iter:   2  23:49:37  -3.36  -2.81  -419.771218    2      1      
iter:   3  23:54:15  -3.66  -2.07  -418.595594    3      1      
iter:   4  23:58:52  -4.43  -3.59  -418.592531    2      1      
iter:   5  00:03:30  -4.94  -4.09  -418.593136    3      1      
iter:   6  00:08:07  -5.36  -4.13  -418.591710    2      1      
iter:   7  00:12:45  -5.79  -4.55  -418.591767    2      1      
iter:   8  00:17:23  -6.24  -4.63  -418.591873    2      1      
iter:   9  00:22:02  -6.56  -4.85  -418.591826    2      1      
iter:  10  00:26:40  -7.34  -4.57  -418.591977    2      1      
iter:  11  00:31:18  -7.05  -4.57  -418.591746    2      1      
iter:  12  00:35:56  -7.29  -4.92  -418.591861    2      1      
iter:  13  00:40:35  -7.41  -5.14  -418.591823    2      1      

Converged after 13 iterations.

Dipole moment: (-55.902483, -33.072376, 0.043575) |e|*Ang

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

Kinetic:        +23.904052
Potential:     -141.231099
External:        +0.000000
XC:            -311.477537
Entropy (-ST):   -1.628967
Local:          +11.027245
--------------------------
Free energy:   -419.406307
Extrapolated:  -418.591823

Fermi level: -6.50116

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.56603    0.14594
  0   343     -6.56254    0.14418
  0   344     -6.55303    0.13930
  0   345     -6.55139    0.13844

  1   342     -6.47576    0.19416
  1   343     -6.47312    0.19127
  1   344     -6.42238    0.13895
  1   345     -6.38604    0.10679


