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

User:   hao@node058.cluster
Date:   Wed Jan 19 04:12:49 2022
Arch:   x86_64
Pid:    42132
Python: 3.6.12
gpaw:   /software/kemi/gpaw/1.5.1/gpaw
_gpaw:  /software/kemi/gpaw/1.5.1/bin/gpaw-python
ase:    /software/kemi/ase/3.17.0/ase (version 3.17.0)
numpy:  /opt/rh/rh-python36/root/usr/lib64/python3.6/site-packages/numpy (version 1.13.1)
scipy:  /opt/rh/rh-python36/root/usr/lib64/python3.6/site-packages/scipy (version 0.19.1)
units:  Angstrom and eV
cores:  120

Input parameters:
  h: 0.18
  kpts: [3 3 1]
  xc: RPBE

System changes: positions, numbers, cell, pbc, initial_charges, initial_magmoms 

Initialize ...

O-setup:
  name: Oxygen
  id: 08071ca1eed670e7821b24b7eb4d558c
  Z: 8
  valence: 6
  core: 2
  charge: 0.0
  file: /software/kemi/gpaw-setups/0.9.20000/O.RPBE.gz
  cutoffs: 0.67(comp), 1.17(filt), 0.83(core), lmax=2
  valence states:
                energy  radius
    2s(2.00)   -24.041   0.688
    2p(4.00)    -8.984   0.598
    *s           3.170   0.688
    *p          18.228   0.598
    *d           0.000   0.619

  Using partial waves for O as LCAO basis

Pt-setup:
  name: Platinum
  id: f04f522592575c47ad794f6b4a415b4b
  Z: 78
  valence: 16
  core: 62
  charge: 0.0
  file: /software/kemi/gpaw-setups/0.9.20000/Pt.RPBE.gz
  cutoffs: 1.29(comp), 2.26(filt), 2.26(core), lmax=2
  valence states:
                energy  radius
    6s(1.00)    -5.516   1.307
    5p(6.00)   -55.971   1.371
    6p(0.00)    -0.856   1.371
    5d(9.00)    -6.087   1.307
    *s          21.695   1.307
    *d          21.125   1.307

  Using partial waves for Pt as LCAO basis

N-setup:
  name: Nitrogen
  id: ee8436d228dc42b9589ef0e60c8ce05c
  Z: 7
  valence: 5
  core: 2
  charge: 0.0
  file: /software/kemi/gpaw-setups/0.9.20000/N.RPBE.gz
  cutoffs: 0.58(comp), 1.11(filt), 0.96(core), lmax=2
  valence states:
                energy  radius
    2s(2.00)   -18.658   0.603
    2p(3.00)    -7.050   0.529
    *s           8.553   0.603
    *p          20.161   0.529
    *d           0.000   0.577

  Using partial waves for N as LCAO basis

Reference energy: -12110383.864724

Spin-paired calculation

Occupation numbers:
  Fermi-Dirac: width=0.1000 eV

Convergence criteria:
  Maximum total energy change: 0.0005 eV / electron
  Maximum integral of absolute density change: 0.0001 electrons
  Maximum integral of absolute eigenstate change: 4e-08 eV^2
  Maximum number of iterations: 333

Symmetries present (total): 2

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

9 k-points: 3 x 3 x 1 Monkhorst-Pack grid
4 k-points in the irreducible part of the Brillouin zone
       k-points in crystal coordinates                weights
   0:     0.00000000    0.00000000    0.00000000          1/9
   1:     0.00000000    0.33333333    0.00000000          2/9
   2:     0.33333333    0.00000000    0.00000000          2/9
   3:     0.33333333    0.33333333    0.00000000          4/9

Wave functions: Uniform real-space grid
  Kinetic energy operator: 6*3+1=19 point O(h^6) finite-difference Laplacian
  ScaLapack parameters: grid=1x1, blocksize=None
  Wavefunction extrapolation:
    Improved wavefunction reuse through dual PAW basis 

Eigensolver
   Davidson(niter=2, smin=None, normalize=True) 

Densities:
  Coarse grid: 36*56*184 grid
  Fine grid: 72*112*368 grid
  Total Charge: 0.000000 

Density mixing:
  Method: separate
  Backend: pulay
  Linear mixing parameter: 0.05
  Mixing with 5 old densities
  Damping of long wave oscillations: 50 

Hamiltonian:
  XC and Coulomb potentials evaluated on a 72*112*368 grid
  Using the RPBE Exchange-Correlation functional
  Interpolation: tri-quintic (5. degree polynomial)
  Poisson solver: FastPoissonSolver using
    6*3+1=19 point O(h^6) finite-difference Laplacian stencil;
    FFT axes: [0, 1];
    FST axes: [2].
 

XC parameters: RPBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 136.12 MiB
  Calculator: 871.48 MiB
    Density: 59.13 MiB
      Arrays: 12.18 MiB
      Localized functions: 42.34 MiB
      Mixer: 4.61 MiB
    Hamiltonian: 10.65 MiB
      Arrays: 7.97 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 2.68 MiB
    Wavefunctions: 801.70 MiB
      Arrays psit_nG: 382.06 MiB
      Eigensolver: 412.84 MiB
      Projections: 1.14 MiB
      Projectors: 5.66 MiB

Total number of cores used: 24
Parallelization over k-points: 4
Domain decomposition: 1 x 1 x 6

Number of atoms: 74
Number of atomic orbitals: 488
Number of bands in calculation: 414
Bands to converge: occupied states only
Number of valence electrons: 682

... initialized

Initializing position-dependent things.

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

                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
          O      N   Pt            
            Pt   O     O           
                   PtO             
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  PtO       O             
            O   O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.318465   24.336288    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.207894   24.039304    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:15:23  +0.87   +inf  -535.526615    4      1      
iter:   2  04:17:18  -0.13  -1.04  -493.781096    36     1      
iter:   3  04:19:12  +0.14  -1.11  -607.974980    34     1      
iter:   4  04:21:07  -0.30  -1.01  -419.493108    37     1      
iter:   5  04:23:02  -0.75  -1.45  -422.456448    36     1      
iter:   6  04:24:56  -1.58  -1.43  -420.963882    4      1      
iter:   7  04:26:51  -1.95  -1.44  -418.006813    3      1      
iter:   8  04:28:45  -1.88  -1.49  -417.829533    3      1      
iter:   9  04:30:40  -1.64  -1.54  -430.896638    35     1      
iter:  10  04:32:35  -1.64  -1.47  -417.312100    4      1      
iter:  11  04:34:30  -1.69  -1.62  -416.824748    4      1      
iter:  12  04:36:25  -2.26  -1.76  -415.181806    3      1      
iter:  13  04:38:19  -2.25  -1.84  -416.313379    3      1      
iter:  14  04:40:14  -2.35  -1.85  -414.925734    3      1      
iter:  15  04:42:08  -2.20  -2.00  -414.146029    4      1      
iter:  16  04:44:02  -2.34  -2.29  -414.125375    3      1      
iter:  17  04:45:56  -3.04  -2.46  -414.105124    3      1      
iter:  18  04:47:49  -2.91  -2.44  -414.159037    3      1      
iter:  19  04:49:43  -3.25  -2.54  -414.157862    3      1      
iter:  20  04:51:36  -3.53  -2.49  -414.080358    3      1      
iter:  21  04:53:30  -3.45  -2.81  -414.089398    3      1      
iter:  22  04:55:23  -3.97  -2.81  -414.081197    3      1      
iter:  23  04:57:17  -4.04  -2.99  -414.076104    3      1      
iter:  24  04:59:11  -4.27  -3.08  -414.076874    3      1      
iter:  25  05:01:06  -4.32  -3.31  -414.080106    3      1      
iter:  26  05:03:01  -4.69  -3.27  -414.079086    3      1      
iter:  27  05:04:56  -5.02  -3.39  -414.077651    2      1      
iter:  28  05:06:50  -5.08  -3.53  -414.077383    2      1      
iter:  29  05:08:45  -5.21  -3.65  -414.078168    3      1      
iter:  30  05:10:40  -5.42  -3.61  -414.077481    2      1      
iter:  31  05:12:35  -5.49  -3.80  -414.078112    2      1      
iter:  32  05:14:29  -5.79  -3.92  -414.077492    2      1      
iter:  33  05:16:25  -5.91  -4.09  -414.077844    2      1      
iter:  34  05:18:20  -6.37  -4.25  -414.077719    2      1      
iter:  35  05:20:15  -6.57  -4.32  -414.077685    2      1      
iter:  36  05:22:10  -6.52  -4.36  -414.077596    2      1      
iter:  37  05:24:05  -6.50  -4.48  -414.077466    2      1      
iter:  38  05:26:00  -7.11  -4.62  -414.077643    2      1      
iter:  39  05:27:56  -6.94  -4.68  -414.077523    2      1      
iter:  40  05:29:51  -7.34  -4.81  -414.077609    2      1      
iter:  41  05:31:46  -7.50  -4.88  -414.077635    2      1      

Converged after 41 iterations.

Dipole moment: (-55.962954, -32.543170, 0.027665) |e|*Ang

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

Kinetic:        +11.656797
Potential:     -131.753886
External:        +0.000000
XC:            -303.706279
Entropy (-ST):   -1.566201
Local:          +10.508834
--------------------------
Free energy:   -414.860735
Extrapolated:  -414.077635

Fermi level: -6.51114

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57990    0.14787
  0   340     -6.56548    0.14058
  0   341     -6.56451    0.14008
  0   342     -6.53527    0.12445

  1   339     -6.48566    0.19406
  1   340     -6.43734    0.14375
  1   341     -6.40279    0.11238
  1   342     -6.39699    0.10758



Forces in eV/Ang:
  0 O     0.00000   -0.01743    1.17484
  1 Pt    0.00000   -0.00253   -0.37500
  2 Pt    0.00000   -0.01905   -0.43415
  3 O    -1.68200    0.00024   -0.71791
  4 O     1.68200    0.00024   -0.71791
  5 O     0.00000   -0.01152   -1.38707
  6 O     0.00000   -0.00267    1.76648
  7 Pt   -0.00000    0.01390    0.45082
  8 Pt    0.00000   -0.04023    0.75319
  9 O    -1.58067    0.00052    0.05094
 10 O     1.58067    0.00052    0.05094
 11 O     0.00000   -0.00888   -0.56636
 12 O    -0.00000    0.00901    0.13605
 13 Pt   -0.00000    0.28775   -0.03755
 14 Pt    0.00000   -0.02020    0.00878
 15 O    -0.00060    0.01045    0.00321
 16 O     0.00060    0.01045    0.00321
 17 O    -0.00000    0.01771   -1.07341
 18 O    -0.00000    0.00120    0.02498
 19 Pt    0.00000   -0.02281    0.12848
 20 Pt    0.00000   -0.05446    0.18782
 21 O    -0.21194    0.38565    0.22166
 22 O     0.21194    0.38565    0.22166
 23 O     0.00000   -0.01645   -0.09013
 24 O     0.00000   -0.00095    1.15076
 25 Pt   -0.00000    0.01700   -0.37799
 26 Pt    0.00000   -0.00015   -0.43472
 27 O    -1.69056    0.01338   -0.71721
 28 O     1.69056    0.01338   -0.71721
 29 O    -0.00000    0.04560   -1.38867
 30 O     0.00000   -0.00454    1.83211
 31 Pt   -0.00000    0.01916    0.51049
 32 Pt    0.00000   -0.14094    0.57787
 33 O    -1.61375   -0.01902    0.07001
 34 O     1.61375   -0.01902    0.07001
 35 O     0.00000   -0.03245   -0.52529
 36 O    -0.00000    0.21986   -0.11820
 37 Pt    0.00000   -0.32413   -0.04170
 38 Pt    0.00000   -0.00377   -0.01066
 39 O     0.01033    0.01150    0.01546
 40 O    -0.01033    0.01150    0.01546
 41 O     0.00000    0.00058    0.00396
 42 O    -0.00000    0.03312   -0.01779
 43 Pt    0.00000   -0.00722    0.09164
 44 Pt    0.00000   -0.09769    0.03230
 45 O    -0.19814   -0.38606    0.18921
 46 O     0.19814   -0.38606    0.18921
 47 O     0.00000   -0.02216   -0.05832
 48 O    -0.00000    0.02226    1.17276
 49 Pt    0.00000   -0.02255   -0.37709
 50 Pt   -0.00000    0.02112   -0.43612
 51 O    -1.68988   -0.01394   -0.71742
 52 O     1.68988   -0.01394   -0.71742
 53 O     0.00000   -0.01134   -1.40567
 54 O     0.00000   -0.00204    1.77462
 55 Pt    0.00000   -0.01216    0.51625
 56 Pt   -0.00000    0.12262    0.65360
 57 O    -1.61378    0.01378    0.09077
 58 O     1.61378    0.01378    0.09077
 59 O     0.00000   -0.02122   -0.51669
 60 O     0.00000   -0.21021   -0.11687
 61 Pt   -0.00000    0.01246   -0.09350
 62 Pt   -0.00000    0.01739   -0.00593
 63 O    -0.01497   -0.00769    0.00291
 64 O     0.01497   -0.00769    0.00291
 65 O     0.00000    0.00008    0.00226
 66 O     0.00000   -0.01281   -0.00551
 67 Pt   -0.00000    0.00600    0.02709
 68 Pt   -0.00000    0.15494    0.01994
 69 O    -0.00954   -0.00123   -0.02933
 70 O     0.00954   -0.00123   -0.02933
 71 O    -0.00000    0.00800   -0.05349
 72 N     0.00000   -5.09405   -1.13906
 73 N    -0.00000    5.08347    1.42576

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
          O      N   Pt            
            Pt   O     O           
                   PtO             
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  PtO       O             
            O   O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.295905   24.331857    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.229968   24.045821    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:49:15  -2.18   +inf  -417.889399    33     1      
iter:   2  05:51:21  -1.42  -1.87  -465.653833    36     1      
iter:   3  05:53:31  -1.80  -1.29  -415.590996    34     1      
iter:   4  05:55:42  -2.52  -2.07  -414.993488    36     1      
iter:   5  05:57:54  -3.02  -2.24  -414.391738    4      1      
iter:   6  06:00:07  -3.41  -2.66  -414.336413    3      1      
iter:   7  06:02:20  -3.32  -2.82  -414.304233    3      1      
iter:   8  06:04:32  -3.74  -2.70  -414.269940    2      1      
iter:   9  06:06:44  -3.80  -2.89  -414.245779    3      1      
iter:  10  06:08:57  -3.56  -2.96  -414.216978    3      1      
iter:  11  06:11:09  -3.51  -3.34  -414.207859    3      1      
iter:  12  06:13:20  -3.92  -3.16  -414.207067    3      1      
iter:  13  06:15:33  -4.49  -3.39  -414.202602    3      1      
iter:  14  06:17:45  -4.71  -3.56  -414.204185    3      1      
iter:  15  06:19:59  -4.75  -3.42  -414.201368    3      1      
iter:  16  06:22:11  -4.83  -3.66  -414.200410    3      1      
iter:  17  06:24:23  -5.16  -3.71  -414.200758    3      1      
iter:  18  06:26:36  -5.40  -3.71  -414.199595    3      1      
iter:  19  06:28:49  -5.46  -4.00  -414.200199    3      1      
iter:  20  06:31:01  -5.64  -4.19  -414.199542    3      1      
iter:  21  06:33:14  -5.92  -4.06  -414.199857    2      1      
iter:  22  06:35:26  -6.34  -4.42  -414.199823    2      1      
iter:  23  06:37:37  -6.72  -4.37  -414.199836    2      1      
iter:  24  06:39:50  -7.21  -4.57  -414.199898    2      1      
iter:  25  06:42:01  -7.05  -4.55  -414.199697    2      1      
iter:  26  06:44:14  -7.22  -4.63  -414.199783    2      1      
iter:  27  06:46:25  -7.31  -4.72  -414.199702    2      1      
iter:  28  06:48:35  -7.27  -4.72  -414.199756    2      1      
iter:  29  06:50:48  -7.66  -4.98  -414.199768    2      1      

Converged after 29 iterations.

Dipole moment: (-55.962898, -32.544693, 0.032306) |e|*Ang

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

Kinetic:        +18.732443
Potential:     -137.469959
External:        +0.000000
XC:            -305.177863
Entropy (-ST):   -1.565914
Local:          +10.498568
--------------------------
Free energy:   -414.982725
Extrapolated:  -414.199768

Fermi level: -6.50715

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57581    0.14782
  0   340     -6.56141    0.14053
  0   341     -6.56043    0.14003
  0   342     -6.53159    0.12462

  1   339     -6.48165    0.19404
  1   340     -6.43325    0.14365
  1   341     -6.39837    0.11201
  1   342     -6.39355    0.10802



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17392
  1 Pt    0.00000   -0.00251   -0.37420
  2 Pt    0.00000   -0.01905   -0.43280
  3 O    -1.68300    0.00024   -0.71818
  4 O     1.68300    0.00024   -0.71818
  5 O     0.00000   -0.01146   -1.38692
  6 O     0.00000   -0.00269    1.76728
  7 Pt   -0.00000    0.01396    0.45052
  8 Pt    0.00000   -0.04045    0.75371
  9 O    -1.58096    0.00048    0.05126
 10 O     1.58096    0.00048    0.05126
 11 O     0.00000   -0.00886   -0.56652
 12 O    -0.00000    0.00898    0.13578
 13 Pt   -0.00000    0.28619   -0.03709
 14 Pt    0.00000   -0.02004    0.00937
 15 O    -0.00024    0.01057    0.00382
 16 O     0.00024    0.01057    0.00382
 17 O    -0.00000    0.01775   -1.06881
 18 O    -0.00000    0.00144    0.02467
 19 Pt    0.00000   -0.02410    0.12494
 20 Pt    0.00000   -0.06689    0.15155
 21 O    -0.21247    0.38689    0.22237
 22 O     0.21247    0.38689    0.22237
 23 O     0.00000   -0.01508   -0.08451
 24 O     0.00000   -0.00092    1.14984
 25 Pt   -0.00000    0.01703   -0.37714
 26 Pt    0.00000   -0.00016   -0.43333
 27 O    -1.69157    0.01338   -0.71749
 28 O     1.69157    0.01338   -0.71749
 29 O    -0.00000    0.04555   -1.38871
 30 O     0.00000   -0.00454    1.83286
 31 Pt   -0.00000    0.01913    0.51026
 32 Pt    0.00000   -0.14081    0.57851
 33 O    -1.61399   -0.01898    0.07035
 34 O     1.61399   -0.01898    0.07035
 35 O     0.00000   -0.03245   -0.52543
 36 O    -0.00000    0.22013   -0.11925
 37 Pt    0.00000   -0.32250   -0.04138
 38 Pt    0.00000   -0.00395   -0.00992
 39 O     0.01066    0.01146    0.01615
 40 O    -0.01066    0.01146    0.01615
 41 O     0.00000    0.00028    0.00609
 42 O    -0.00000    0.03278   -0.01786
 43 Pt    0.00000   -0.00621    0.08795
 44 Pt    0.00000   -0.08863    0.02040
 45 O    -0.19945   -0.38784    0.19463
 46 O     0.19945   -0.38784    0.19463
 47 O     0.00000   -0.02306   -0.05473
 48 O    -0.00000    0.02228    1.17183
 49 Pt    0.00000   -0.02259   -0.37630
 50 Pt   -0.00000    0.02112   -0.43480
 51 O    -1.69090   -0.01393   -0.71770
 52 O     1.69090   -0.01393   -0.71770
 53 O     0.00000   -0.01135   -1.40550
 54 O     0.00000   -0.00202    1.77545
 55 Pt    0.00000   -0.01219    0.51597
 56 Pt   -0.00000    0.12271    0.65386
 57 O    -1.61406    0.01378    0.09112
 58 O     1.61406    0.01378    0.09112
 59 O     0.00000   -0.02125   -0.51672
 60 O     0.00000   -0.21030   -0.11731
 61 Pt   -0.00000    0.01255   -0.09288
 62 Pt   -0.00000    0.01745   -0.00545
 63 O    -0.01468   -0.00776    0.00324
 64 O     0.01468   -0.00776    0.00324
 65 O     0.00000    0.00012    0.00399
 66 O     0.00000   -0.01243   -0.00510
 67 Pt   -0.00000    0.00666    0.02453
 68 Pt   -0.00000    0.15478    0.01545
 69 O    -0.00964   -0.00194   -0.02975
 70 O     0.00964   -0.00194   -0.02975
 71 O    -0.00000    0.00781   -0.05155
 72 N    -0.00000    0.22980    0.22318
 73 N     0.00000   -0.26437    0.08707

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
          O      N   Pt            
            Pt   O     O           
                   PtO             
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  PtO       O             
            O   O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.311472   24.330329    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.219587   24.041463    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:55:43  -2.59   +inf  -415.333955    35     1      
iter:   2  06:57:54  -1.95  -2.11  -433.982181    3      1      
iter:   3  07:00:07  -2.42  -1.51  -414.535476    34     1      
iter:   4  07:02:19  -2.94  -2.36  -414.252876    3      1      
iter:   5  07:04:32  -3.52  -2.82  -414.216986    3      1      
iter:   6  07:06:43  -3.77  -2.96  -414.195402    3      1      
iter:   7  07:08:55  -4.09  -3.32  -414.194111    3      1      
iter:   8  07:11:07  -4.06  -3.10  -414.171689    3      1      
iter:   9  07:13:19  -3.70  -3.45  -414.166079    3      1      
iter:  10  07:15:31  -4.04  -3.48  -414.161727    3      1      
iter:  11  07:17:40  -4.60  -3.63  -414.162498    3      1      
iter:  12  07:19:53  -5.23  -3.59  -414.161904    3      1      
iter:  13  07:22:05  -5.23  -3.71  -414.161503    3      1      
iter:  14  07:24:16  -5.31  -3.71  -414.162379    2      1      
iter:  15  07:26:26  -5.60  -3.95  -414.161899    3      1      
iter:  16  07:28:38  -5.45  -3.99  -414.162335    3      1      
iter:  17  07:30:50  -5.21  -3.88  -414.161442    3      1      
iter:  18  07:33:02  -5.61  -3.99  -414.161449    3      1      
iter:  19  07:35:14  -6.06  -4.12  -414.161230    2      1      
iter:  20  07:37:26  -6.32  -4.34  -414.160940    2      1      
iter:  21  07:39:38  -7.01  -4.48  -414.161122    2      1      
iter:  22  07:41:50  -7.08  -4.55  -414.160967    2      1      
iter:  23  07:44:03  -6.93  -4.62  -414.161131    2      1      
iter:  24  07:46:16  -6.88  -4.69  -414.161043    2      1      
iter:  25  07:48:28  -7.48  -4.68  -414.161085    2      1      

Converged after 25 iterations.

Dipole moment: (-55.962925, -32.544896, 0.032385) |e|*Ang

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

Kinetic:        +14.678326
Potential:     -134.212977
External:        +0.000000
XC:            -304.336827
Entropy (-ST):   -1.565919
Local:          +10.493353
--------------------------
Free energy:   -414.944044
Extrapolated:  -414.161085

Fermi level: -6.50784

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57667    0.14791
  0   340     -6.56203    0.14050
  0   341     -6.56103    0.13999
  0   342     -6.53210    0.12452

  1   339     -6.48216    0.19385
  1   340     -6.43394    0.14365
  1   341     -6.39927    0.11219
  1   342     -6.39392    0.10776



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17524
  1 Pt    0.00000   -0.00254   -0.37558
  2 Pt    0.00000   -0.01904   -0.43502
  3 O    -1.68400    0.00024   -0.71870
  4 O     1.68400    0.00024   -0.71870
  5 O     0.00000   -0.01149   -1.38687
  6 O     0.00000   -0.00270    1.76420
  7 Pt   -0.00000    0.01393    0.45007
  8 Pt    0.00000   -0.04032    0.75238
  9 O    -1.58058    0.00051    0.05093
 10 O     1.58058    0.00051    0.05093
 11 O     0.00000   -0.00885   -0.56665
 12 O    -0.00000    0.00904    0.13635
 13 Pt   -0.00000    0.28721   -0.03840
 14 Pt    0.00000   -0.02021    0.00753
 15 O    -0.00044    0.01047    0.00290
 16 O     0.00044    0.01047    0.00290
 17 O    -0.00000    0.01774   -1.07238
 18 O    -0.00000    0.00106    0.02594
 19 Pt    0.00000   -0.02389    0.12793
 20 Pt    0.00000   -0.05980    0.18177
 21 O    -0.21186    0.38572    0.22158
 22 O     0.21186    0.38572    0.22158
 23 O     0.00000   -0.01686   -0.09268
 24 O     0.00000   -0.00094    1.15117
 25 Pt   -0.00000    0.01703   -0.37856
 26 Pt    0.00000   -0.00016   -0.43558
 27 O    -1.69258    0.01338   -0.71801
 28 O     1.69258    0.01338   -0.71801
 29 O    -0.00000    0.04558   -1.38861
 30 O     0.00000   -0.00454    1.82983
 31 Pt   -0.00000    0.01916    0.50978
 32 Pt    0.00000   -0.14089    0.57721
 33 O    -1.61364   -0.01902    0.07003
 34 O     1.61364   -0.01902    0.07003
 35 O     0.00000   -0.03247   -0.52553
 36 O    -0.00000    0.22004   -0.11828
 37 Pt    0.00000   -0.32370   -0.04268
 38 Pt    0.00000   -0.00369   -0.01188
 39 O     0.01049    0.01148    0.01497
 40 O    -0.01049    0.01148    0.01497
 41 O     0.00000    0.00041    0.00388
 42 O    -0.00000    0.03344   -0.01703
 43 Pt    0.00000   -0.00648    0.08955
 44 Pt    0.00000   -0.09368    0.03212
 45 O    -0.19758   -0.38649    0.18787
 46 O     0.19758   -0.38649    0.18787
 47 O     0.00000   -0.02140   -0.06075
 48 O    -0.00000    0.02227    1.17315
 49 Pt    0.00000   -0.02256   -0.37768
 50 Pt   -0.00000    0.02112   -0.43700
 51 O    -1.69189   -0.01394   -0.71822
 52 O     1.69189   -0.01394   -0.71822
 53 O     0.00000   -0.01134   -1.40551
 54 O     0.00000   -0.00200    1.77240
 55 Pt    0.00000   -0.01219    0.51552
 56 Pt   -0.00000    0.12266    0.65275
 57 O    -1.61372    0.01378    0.09080
 58 O     1.61372    0.01378    0.09080
 59 O     0.00000   -0.02123   -0.51696
 60 O     0.00000   -0.21035   -0.11665
 61 Pt   -0.00000    0.01260   -0.09446
 62 Pt   -0.00000    0.01734   -0.00707
 63 O    -0.01489   -0.00768    0.00255
 64 O     0.01489   -0.00768    0.00255
 65 O     0.00000    0.00014    0.00199
 66 O     0.00000   -0.01290   -0.00483
 67 Pt   -0.00000    0.00656    0.02742
 68 Pt   -0.00000    0.15491    0.02229
 69 O    -0.00927   -0.00121   -0.02941
 70 O     0.00927   -0.00121   -0.02941
 71 O    -0.00000    0.00771   -0.05502
 72 N     0.00000   -3.01343   -0.56326
 73 N    -0.00000    2.93647    0.86758

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
          O      N   Pt            
            Pt   O     O           
                   PtO             
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  PtO       O             
            O   O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.298718   24.325870    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.233911   24.044849    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:54:14  -2.57   +inf  -415.997843    35     1      
iter:   2  07:56:26  -1.72  -2.02  -442.851976    35     1      
iter:   3  07:58:37  -2.12  -1.43  -414.603356    37     1      
iter:   4  08:00:49  -2.78  -2.30  -414.454068    4      1      
iter:   5  08:03:00  -3.43  -2.50  -414.273979    3      1      
iter:   6  08:05:13  -3.62  -2.84  -414.238914    3      1      
iter:   7  08:07:24  -3.69  -3.11  -414.229205    3      1      
iter:   8  08:09:37  -4.20  -2.99  -414.220284    2      1      
iter:   9  08:11:49  -4.34  -3.29  -414.210929    3      1      
iter:  10  08:14:01  -3.87  -3.34  -414.204616    3      1      
iter:  11  08:16:13  -4.09  -3.51  -414.199091    3      1      
iter:  12  08:18:24  -4.32  -3.53  -414.200159    3      1      
iter:  13  08:20:36  -4.75  -3.65  -414.199264    3      1      
iter:  14  08:22:48  -5.05  -3.70  -414.198796    2      1      
iter:  15  08:25:00  -5.39  -3.48  -414.198060    3      1      
iter:  16  08:27:12  -5.42  -3.77  -414.197291    3      1      
iter:  17  08:29:23  -5.45  -3.91  -414.198710    2      1      
iter:  18  08:31:34  -5.75  -3.95  -414.197338    3      1      
iter:  19  08:33:45  -5.97  -4.22  -414.197470    3      1      
iter:  20  08:35:56  -6.19  -4.23  -414.197504    2      1      
iter:  21  08:38:09  -6.66  -4.49  -414.197473    2      1      
iter:  22  08:40:21  -6.66  -4.34  -414.197569    3      1      
iter:  23  08:42:33  -7.20  -4.73  -414.197476    2      1      
iter:  24  08:44:44  -7.32  -4.76  -414.197598    2      1      
iter:  25  08:46:56  -7.38  -4.75  -414.197541    2      1      
iter:  26  08:49:09  -7.56  -5.00  -414.197540    2      1      

Converged after 26 iterations.

Dipole moment: (-55.962828, -32.544719, 0.033103) |e|*Ang

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

Kinetic:        +19.218645
Potential:     -137.870252
External:        +0.000000
XC:            -305.261628
Entropy (-ST):   -1.565864
Local:          +10.498627
--------------------------
Free energy:   -414.980472
Extrapolated:  -414.197540

Fermi level: -6.50650

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57514    0.14782
  0   340     -6.56074    0.14053
  0   341     -6.55976    0.14002
  0   342     -6.53091    0.12461

  1   339     -6.48099    0.19404
  1   340     -6.43260    0.14365
  1   341     -6.39772    0.11201
  1   342     -6.39287    0.10800



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17448
  1 Pt    0.00000   -0.00253   -0.37494
  2 Pt    0.00000   -0.01905   -0.43420
  3 O    -1.68315    0.00023   -0.71854
  4 O     1.68315    0.00023   -0.71854
  5 O     0.00000   -0.01147   -1.38694
  6 O     0.00000   -0.00269    1.76715
  7 Pt   -0.00000    0.01388    0.45110
  8 Pt    0.00000   -0.04043    0.75378
  9 O    -1.58092    0.00048    0.05123
 10 O     1.58092    0.00048    0.05123
 11 O     0.00000   -0.00886   -0.56642
 12 O    -0.00000    0.00911    0.13618
 13 Pt   -0.00000    0.28592   -0.03789
 14 Pt    0.00000   -0.02008    0.00821
 15 O    -0.00080    0.01043    0.00329
 16 O     0.00080    0.01043    0.00329
 17 O    -0.00000    0.01775   -1.07053
 18 O    -0.00000    0.00127    0.02579
 19 Pt    0.00000   -0.02391    0.12826
 20 Pt    0.00000   -0.06794    0.15246
 21 O    -0.21205    0.38709    0.22459
 22 O     0.21205    0.38709    0.22459
 23 O     0.00000   -0.01444   -0.08517
 24 O     0.00000   -0.00092    1.15039
 25 Pt   -0.00000    0.01704   -0.37789
 26 Pt    0.00000   -0.00015   -0.43476
 27 O    -1.69171    0.01340   -0.71785
 28 O     1.69171    0.01340   -0.71785
 29 O    -0.00000    0.04554   -1.38871
 30 O     0.00000   -0.00465    1.83276
 31 Pt   -0.00000    0.01919    0.51081
 32 Pt    0.00000   -0.14086    0.57860
 33 O    -1.61394   -0.01900    0.07031
 34 O     1.61394   -0.01900    0.07031
 35 O     0.00000   -0.03250   -0.52513
 36 O    -0.00000    0.21965   -0.11850
 37 Pt    0.00000   -0.32239   -0.04229
 38 Pt    0.00000   -0.00386   -0.01123
 39 O     0.01011    0.01160    0.01557
 40 O    -0.01011    0.01160    0.01557
 41 O     0.00000    0.00032    0.00402
 42 O    -0.00000    0.03276   -0.01698
 43 Pt    0.00000   -0.00629    0.09163
 44 Pt    0.00000   -0.08805    0.02321
 45 O    -0.19949   -0.38802    0.19656
 46 O     0.19949   -0.38802    0.19656
 47 O     0.00000   -0.02418   -0.05499
 48 O    -0.00000    0.02228    1.17238
 49 Pt    0.00000   -0.02259   -0.37706
 50 Pt   -0.00000    0.02111   -0.43622
 51 O    -1.69105   -0.01395   -0.71806
 52 O     1.69105   -0.01395   -0.71806
 53 O     0.00000   -0.01133   -1.40548
 54 O     0.00000   -0.00191    1.77535
 55 Pt    0.00000   -0.01217    0.51662
 56 Pt   -0.00000    0.12274    0.65392
 57 O    -1.61400    0.01380    0.09109
 58 O     1.61400    0.01380    0.09109
 59 O     0.00000   -0.02121   -0.51647
 60 O     0.00000   -0.20993   -0.11646
 61 Pt   -0.00000    0.01266   -0.09336
 62 Pt   -0.00000    0.01741   -0.00664
 63 O    -0.01528   -0.00776    0.00288
 64 O     0.01528   -0.00776    0.00288
 65 O     0.00000    0.00012    0.00181
 66 O     0.00000   -0.01220   -0.00414
 67 Pt   -0.00000    0.00656    0.02761
 68 Pt   -0.00000    0.15456    0.01904
 69 O    -0.00968   -0.00210   -0.02821
 70 O     0.00968   -0.00210   -0.02821
 71 O    -0.00000    0.00831   -0.05175
 72 N    -0.00000    0.54002    0.33337
 73 N     0.00000   -0.57677   -0.00019

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
          O      N   Pt            
            Pt   O     O           
                   PtO             
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  PtO       O             
            O   O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.302101   24.321630    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.236341   24.043685    ( 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  08:54:00  -4.16   +inf  -414.197280    3      1      
iter:   2  08:56:12  -4.77  -3.70  -414.212415    2      1      
iter:   3  08:58:23  -5.00  -2.98  -414.196674    2      1      
iter:   4  09:00:35  -5.53  -4.52  -414.195982    2      1      
iter:   5  09:02:47  -5.68  -4.35  -414.196620    3      1      
iter:   6  09:04:58  -6.14  -4.64  -414.196534    2      1      
iter:   7  09:07:10  -6.57  -4.82  -414.196484    2      1      
iter:   8  09:09:22  -6.62  -5.00  -414.196462    2      1      
iter:   9  09:11:33  -7.31  -4.71  -414.196485    2      1      
iter:  10  09:13:45  -7.28  -4.69  -414.196478    2      1      
iter:  11  09:15:55  -7.62  -5.24  -414.196475    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962947, -32.544638, 0.033250) |e|*Ang

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

Kinetic:        +19.149175
Potential:     -137.806346
External:        +0.000000
XC:            -305.254608
Entropy (-ST):   -1.565918
Local:          +10.498263
--------------------------
Free energy:   -414.979434
Extrapolated:  -414.196475

Fermi level: -6.50656

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57520    0.14782
  0   340     -6.56081    0.14053
  0   341     -6.55983    0.14003
  0   342     -6.53096    0.12460

  1   339     -6.48107    0.19405
  1   340     -6.43265    0.14365
  1   341     -6.39780    0.11204
  1   342     -6.39290    0.10797



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17436
  1 Pt    0.00000   -0.00254   -0.37468
  2 Pt    0.00000   -0.01905   -0.43348
  3 O    -1.68311    0.00023   -0.71838
  4 O     1.68311    0.00023   -0.71838
  5 O     0.00000   -0.01146   -1.38676
  6 O     0.00000   -0.00271    1.76755
  7 Pt   -0.00000    0.01389    0.45145
  8 Pt    0.00000   -0.04043    0.75391
  9 O    -1.58080    0.00049    0.05137
 10 O     1.58080    0.00049    0.05137
 11 O     0.00000   -0.00886   -0.56626
 12 O    -0.00000    0.00904    0.13660
 13 Pt   -0.00000    0.28620   -0.03788
 14 Pt    0.00000   -0.02011    0.00811
 15 O    -0.00076    0.01052    0.00345
 16 O     0.00076    0.01052    0.00345
 17 O    -0.00000    0.01785   -1.07073
 18 O    -0.00000    0.00111    0.02609
 19 Pt    0.00000   -0.02423    0.12781
 20 Pt    0.00000   -0.06834    0.15566
 21 O    -0.21218    0.38658    0.22421
 22 O     0.21218    0.38658    0.22421
 23 O     0.00000   -0.01531   -0.08746
 24 O     0.00000   -0.00092    1.15028
 25 Pt   -0.00000    0.01704   -0.37765
 26 Pt    0.00000   -0.00015   -0.43402
 27 O    -1.69168    0.01339   -0.71769
 28 O     1.69168    0.01339   -0.71769
 29 O    -0.00000    0.04555   -1.38854
 30 O     0.00000   -0.00454    1.83317
 31 Pt   -0.00000    0.01919    0.51120
 32 Pt    0.00000   -0.14082    0.57880
 33 O    -1.61382   -0.01901    0.07047
 34 O     1.61382   -0.01901    0.07047
 35 O     0.00000   -0.03243   -0.52503
 36 O    -0.00000    0.21994   -0.11822
 37 Pt    0.00000   -0.32275   -0.04225
 38 Pt    0.00000   -0.00379   -0.01139
 39 O     0.01017    0.01148    0.01567
 40 O    -0.01017    0.01148    0.01567
 41 O     0.00000    0.00028    0.00420
 42 O    -0.00000    0.03313   -0.01688
 43 Pt    0.00000   -0.00610    0.08952
 44 Pt    0.00000   -0.08763    0.02318
 45 O    -0.19828   -0.38752    0.19266
 46 O     0.19828   -0.38752    0.19266
 47 O     0.00000   -0.02319   -0.05689
 48 O    -0.00000    0.02228    1.17227
 49 Pt    0.00000   -0.02257   -0.37680
 50 Pt   -0.00000    0.02111   -0.43548
 51 O    -1.69101   -0.01395   -0.71790
 52 O     1.69101   -0.01395   -0.71790
 53 O     0.00000   -0.01135   -1.40535
 54 O     0.00000   -0.00200    1.77575
 55 Pt    0.00000   -0.01219    0.51695
 56 Pt   -0.00000    0.12271    0.65412
 57 O    -1.61389    0.01379    0.09127
 58 O     1.61389    0.01379    0.09127
 59 O     0.00000   -0.02127   -0.51639
 60 O     0.00000   -0.21015   -0.11627
 61 Pt   -0.00000    0.01271   -0.09360
 62 Pt   -0.00000    0.01737   -0.00670
 63 O    -0.01519   -0.00773    0.00304
 64 O     0.01519   -0.00773    0.00304
 65 O     0.00000    0.00004    0.00211
 66 O     0.00000   -0.01244   -0.00429
 67 Pt   -0.00000    0.00676    0.02717
 68 Pt   -0.00000    0.15469    0.01997
 69 O    -0.00975   -0.00179   -0.02821
 70 O     0.00975   -0.00179   -0.02821
 71 O    -0.00000    0.00819   -0.05239
 72 N    -0.00000    0.47269    0.36270
 73 N     0.00000   -0.54010    0.02393

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.307642   24.314977    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.240029   24.041594    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:33:06  -3.76   +inf  -414.194795    3      1      
iter:   2  09:35:18  -4.58  -3.93  -414.198794    3      1      
iter:   3  09:37:29  -5.02  -3.34  -414.196094    2      1      
iter:   4  09:39:41  -5.43  -4.08  -414.194805    2      1      
iter:   5  09:41:52  -5.39  -4.33  -414.195473    3      1      
iter:   6  09:44:03  -5.60  -4.11  -414.195179    2      1      
iter:   7  09:46:15  -6.06  -4.57  -414.195015    2      1      
iter:   8  09:48:27  -6.26  -4.89  -414.194986    2      1      
iter:   9  09:50:39  -6.58  -4.52  -414.194895    2      1      
iter:  10  09:52:50  -7.04  -4.85  -414.195061    2      1      
iter:  11  09:55:00  -7.59  -5.15  -414.194958    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962965, -32.544230, 0.033545) |e|*Ang

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

Kinetic:        +19.017955
Potential:     -137.693891
External:        +0.000000
XC:            -305.233406
Entropy (-ST):   -1.566050
Local:          +10.497408
--------------------------
Free energy:   -414.977983
Extrapolated:  -414.194958

Fermi level: -6.50649

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57529    0.14789
  0   340     -6.56064    0.14048
  0   341     -6.55965    0.13997
  0   342     -6.53092    0.12461

  1   339     -6.48101    0.19406
  1   340     -6.43251    0.14357
  1   341     -6.39775    0.11205
  1   342     -6.39281    0.10795



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17416
  1 Pt    0.00000   -0.00253   -0.37486
  2 Pt    0.00000   -0.01905   -0.43372
  3 O    -1.68355    0.00024   -0.71838
  4 O     1.68355    0.00024   -0.71838
  5 O     0.00000   -0.01148   -1.38660
  6 O     0.00000   -0.00270    1.76591
  7 Pt   -0.00000    0.01395    0.45069
  8 Pt    0.00000   -0.04038    0.75364
  9 O    -1.58110    0.00050    0.05123
 10 O     1.58110    0.00050    0.05123
 11 O     0.00000   -0.00886   -0.56682
 12 O    -0.00000    0.00907    0.13605
 13 Pt   -0.00000    0.28631   -0.03920
 14 Pt    0.00000   -0.02011    0.00727
 15 O    -0.00061    0.01056    0.00308
 16 O     0.00061    0.01056    0.00308
 17 O    -0.00000    0.01788   -1.07290
 18 O    -0.00000    0.00115    0.02590
 19 Pt    0.00000   -0.02426    0.12795
 20 Pt    0.00000   -0.06816    0.15768
 21 O    -0.21177    0.38640    0.22444
 22 O     0.21177    0.38640    0.22444
 23 O     0.00000   -0.01517   -0.08586
 24 O     0.00000   -0.00093    1.15008
 25 Pt   -0.00000    0.01703   -0.37782
 26 Pt    0.00000   -0.00016   -0.43426
 27 O    -1.69212    0.01338   -0.71768
 28 O     1.69212    0.01338   -0.71768
 29 O    -0.00000    0.04558   -1.38831
 30 O     0.00000   -0.00451    1.83153
 31 Pt   -0.00000    0.01914    0.51042
 32 Pt    0.00000   -0.14082    0.57850
 33 O    -1.61414   -0.01900    0.07033
 34 O     1.61414   -0.01900    0.07033
 35 O     0.00000   -0.03244   -0.52569
 36 O    -0.00000    0.21985   -0.11868
 37 Pt    0.00000   -0.32298   -0.04347
 38 Pt    0.00000   -0.00382   -0.01197
 39 O     0.01031    0.01142    0.01527
 40 O    -0.01031    0.01142    0.01527
 41 O     0.00000    0.00022    0.00178
 42 O    -0.00000    0.03334   -0.01713
 43 Pt    0.00000   -0.00609    0.08941
 44 Pt    0.00000   -0.08762    0.02355
 45 O    -0.19735   -0.38733    0.19128
 46 O     0.19735   -0.38733    0.19128
 47 O     0.00000   -0.02336   -0.05572
 48 O    -0.00000    0.02228    1.17206
 49 Pt    0.00000   -0.02258   -0.37695
 50 Pt   -0.00000    0.02112   -0.43571
 51 O    -1.69144   -0.01394   -0.71789
 52 O     1.69144   -0.01394   -0.71789
 53 O     0.00000   -0.01136   -1.40514
 54 O     0.00000   -0.00205    1.77410
 55 Pt    0.00000   -0.01219    0.51611
 56 Pt   -0.00000    0.12266    0.65386
 57 O    -1.61422    0.01378    0.09109
 58 O     1.61422    0.01378    0.09109
 59 O     0.00000   -0.02126   -0.51704
 60 O     0.00000   -0.21006   -0.11673
 61 Pt   -0.00000    0.01279   -0.09484
 62 Pt   -0.00000    0.01741   -0.00734
 63 O    -0.01497   -0.00772    0.00273
 64 O     0.01497   -0.00772    0.00273
 65 O     0.00000    0.00007   -0.00064
 66 O     0.00000   -0.01269   -0.00452
 67 Pt   -0.00000    0.00677    0.02679
 68 Pt   -0.00000    0.15444    0.02057
 69 O    -0.00919   -0.00168   -0.02824
 70 O     0.00919   -0.00168   -0.02824
 71 O    -0.00000    0.00821   -0.05141
 72 N    -0.00000    0.38211    0.33794
 73 N     0.00000   -0.42341    0.03609

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.312041   24.308083    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.245188   24.039623    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:11:49  -3.68   +inf  -414.254074    3      1      
iter:   2  10:13:56  -3.21  -2.75  -415.641941    3      1      
iter:   3  10:16:04  -3.52  -2.03  -414.193555    3      1      
iter:   4  10:18:12  -4.25  -3.23  -414.196381    3      1      
iter:   5  10:20:19  -4.97  -3.71  -414.193530    3      1      
iter:   6  10:22:28  -5.18  -3.89  -414.192351    2      1      
iter:   7  10:24:35  -5.63  -4.22  -414.192607    2      1      
iter:   8  10:26:43  -5.52  -4.10  -414.192826    3      1      
iter:   9  10:28:51  -6.14  -4.25  -414.192447    2      1      
iter:  10  10:30:57  -6.23  -4.58  -414.192653    2      1      
iter:  11  10:33:02  -6.59  -4.61  -414.192488    2      1      
iter:  12  10:35:10  -6.78  -4.63  -414.192575    2      1      
iter:  13  10:37:18  -7.14  -4.82  -414.192501    2      1      
iter:  14  10:39:26  -7.30  -4.94  -414.192448    2      1      
iter:  15  10:41:34  -7.37  -4.75  -414.192685    2      1      
iter:  16  10:43:41  -7.44  -4.58  -414.192444    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962928, -32.543517, 0.033066) |e|*Ang

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

Kinetic:        +19.372815
Potential:     -137.976689
External:        +0.000000
XC:            -305.303980
Entropy (-ST):   -1.565990
Local:          +10.498405
--------------------------
Free energy:   -414.975439
Extrapolated:  -414.192444

Fermi level: -6.50666

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57533    0.14783
  0   340     -6.56086    0.14051
  0   341     -6.55987    0.13999
  0   342     -6.53102    0.12458

  1   339     -6.48118    0.19406
  1   340     -6.43273    0.14362
  1   341     -6.39793    0.11205
  1   342     -6.39289    0.10788



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17434
  1 Pt    0.00000   -0.00253   -0.37503
  2 Pt    0.00000   -0.01905   -0.43339
  3 O    -1.68353    0.00025   -0.71836
  4 O     1.68353    0.00025   -0.71836
  5 O     0.00000   -0.01149   -1.38656
  6 O     0.00000   -0.00268    1.76654
  7 Pt   -0.00000    0.01388    0.45032
  8 Pt    0.00000   -0.04036    0.75377
  9 O    -1.58082    0.00047    0.05108
 10 O     1.58082    0.00047    0.05108
 11 O     0.00000   -0.00887   -0.56710
 12 O    -0.00000    0.00915    0.13646
 13 Pt   -0.00000    0.28624   -0.03928
 14 Pt    0.00000   -0.02018    0.00765
 15 O    -0.00020    0.01049    0.00288
 16 O     0.00020    0.01049    0.00288
 17 O    -0.00000    0.01786   -1.07476
 18 O    -0.00000    0.00103    0.02594
 19 Pt    0.00000   -0.02399    0.12797
 20 Pt    0.00000   -0.06799    0.15608
 21 O    -0.21147    0.38618    0.22539
 22 O     0.21147    0.38618    0.22539
 23 O     0.00000   -0.01477   -0.08790
 24 O     0.00000   -0.00094    1.15025
 25 Pt   -0.00000    0.01703   -0.37799
 26 Pt    0.00000   -0.00017   -0.43391
 27 O    -1.69210    0.01338   -0.71767
 28 O     1.69210    0.01338   -0.71767
 29 O    -0.00000    0.04557   -1.38826
 30 O     0.00000   -0.00457    1.83226
 31 Pt   -0.00000    0.01919    0.51003
 32 Pt    0.00000   -0.14081    0.57856
 33 O    -1.61387   -0.01899    0.07018
 34 O     1.61387   -0.01899    0.07018
 35 O     0.00000   -0.03245   -0.52592
 36 O    -0.00000    0.21997   -0.11857
 37 Pt    0.00000   -0.32300   -0.04373
 38 Pt    0.00000   -0.00380   -0.01185
 39 O     0.01079    0.01148    0.01491
 40 O    -0.01079    0.01148    0.01491
 41 O     0.00000    0.00020    0.00310
 42 O    -0.00000    0.03301   -0.01705
 43 Pt    0.00000   -0.00612    0.08969
 44 Pt    0.00000   -0.08833    0.02448
 45 O    -0.19740   -0.38702    0.19280
 46 O     0.19740   -0.38702    0.19280
 47 O     0.00000   -0.02408   -0.05698
 48 O    -0.00000    0.02227    1.17224
 49 Pt    0.00000   -0.02258   -0.37711
 50 Pt   -0.00000    0.02113   -0.43536
 51 O    -1.69141   -0.01395   -0.71788
 52 O     1.69141   -0.01395   -0.71788
 53 O     0.00000   -0.01134   -1.40510
 54 O     0.00000   -0.00201    1.77485
 55 Pt    0.00000   -0.01217    0.51579
 56 Pt   -0.00000    0.12264    0.65392
 57 O    -1.61394    0.01381    0.09094
 58 O     1.61394    0.01381    0.09094
 59 O     0.00000   -0.02124   -0.51723
 60 O     0.00000   -0.21024   -0.11665
 61 Pt   -0.00000    0.01286   -0.09480
 62 Pt   -0.00000    0.01746   -0.00716
 63 O    -0.01461   -0.00771    0.00242
 64 O     0.01461   -0.00771    0.00242
 65 O     0.00000    0.00010    0.00058
 66 O     0.00000   -0.01223   -0.00443
 67 Pt   -0.00000    0.00656    0.02740
 68 Pt   -0.00000    0.15479    0.02091
 69 O    -0.00923   -0.00184   -0.02710
 70 O     0.00923   -0.00184   -0.02710
 71 O    -0.00000    0.00848   -0.05230
 72 N    -0.00000    0.68669    0.36875
 73 N     0.00000   -0.66462   -0.08129

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.317750   24.301599    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.249422   24.037119    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:51:49  -3.74   +inf  -414.197346    3      1      
iter:   2  10:53:56  -4.14  -3.29  -414.309429    3      1      
iter:   3  10:56:04  -4.30  -2.55  -414.191155    3      1      
iter:   4  10:58:12  -5.04  -4.06  -414.192061    3      1      
iter:   5  11:00:19  -5.33  -4.35  -414.191011    2      1      
iter:   6  11:02:25  -5.53  -4.40  -414.191465    3      1      
iter:   7  11:04:32  -5.98  -4.42  -414.191524    2      1      
iter:   8  11:06:40  -6.32  -4.76  -414.191519    2      1      
iter:   9  11:08:48  -6.71  -4.52  -414.191468    2      1      
iter:  10  11:10:56  -6.71  -4.07  -414.191592    2      1      
iter:  11  11:13:03  -6.86  -4.84  -414.191266    2      1      
iter:  12  11:15:10  -7.17  -4.75  -414.191447    2      1      
iter:  13  11:17:17  -7.73  -5.12  -414.191446    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962922, -32.543432, 0.033666) |e|*Ang

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

Kinetic:        +19.297580
Potential:     -137.912534
External:        +0.000000
XC:            -305.290532
Entropy (-ST):   -1.565915
Local:          +10.496997
--------------------------
Free energy:   -414.974403
Extrapolated:  -414.191446

Fermi level: -6.50628

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57494    0.14783
  0   340     -6.56051    0.14052
  0   341     -6.55953    0.14002
  0   342     -6.53058    0.12455

  1   339     -6.48080    0.19406
  1   340     -6.43238    0.14365
  1   341     -6.39758    0.11208
  1   342     -6.39240    0.10779



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17418
  1 Pt    0.00000   -0.00253   -0.37481
  2 Pt    0.00000   -0.01905   -0.43368
  3 O    -1.68342    0.00025   -0.71835
  4 O     1.68342    0.00025   -0.71835
  5 O     0.00000   -0.01151   -1.38654
  6 O     0.00000   -0.00270    1.76683
  7 Pt   -0.00000    0.01396    0.45175
  8 Pt    0.00000   -0.04034    0.75437
  9 O    -1.58095    0.00051    0.05171
 10 O     1.58095    0.00051    0.05171
 11 O     0.00000   -0.00886   -0.56572
 12 O    -0.00000    0.00914    0.13712
 13 Pt   -0.00000    0.28623   -0.03769
 14 Pt    0.00000   -0.02008    0.00833
 15 O    -0.00058    0.01058    0.00371
 16 O     0.00058    0.01058    0.00371
 17 O    -0.00000    0.01795   -1.07090
 18 O    -0.00000    0.00119    0.02654
 19 Pt    0.00000   -0.02414    0.12846
 20 Pt    0.00000   -0.06817    0.15680
 21 O    -0.21209    0.38665    0.22436
 22 O     0.21209    0.38665    0.22436
 23 O     0.00000   -0.01524   -0.08692
 24 O     0.00000   -0.00094    1.15009
 25 Pt   -0.00000    0.01703   -0.37779
 26 Pt    0.00000   -0.00016   -0.43421
 27 O    -1.69199    0.01338   -0.71766
 28 O     1.69199    0.01338   -0.71766
 29 O    -0.00000    0.04559   -1.38826
 30 O     0.00000   -0.00449    1.83249
 31 Pt   -0.00000    0.01914    0.51148
 32 Pt    0.00000   -0.14084    0.57923
 33 O    -1.61401   -0.01901    0.07081
 34 O     1.61401   -0.01901    0.07081
 35 O     0.00000   -0.03243   -0.52459
 36 O    -0.00000    0.21987   -0.11762
 37 Pt    0.00000   -0.32314   -0.04189
 38 Pt    0.00000   -0.00388   -0.01103
 39 O     0.01031    0.01139    0.01589
 40 O    -0.01031    0.01139    0.01589
 41 O     0.00000    0.00010    0.00547
 42 O    -0.00000    0.03332   -0.01645
 43 Pt    0.00000   -0.00619    0.08889
 44 Pt    0.00000   -0.08746    0.02276
 45 O    -0.19688   -0.38754    0.18871
 46 O     0.19688   -0.38754    0.18871
 47 O     0.00000   -0.02316   -0.05674
 48 O    -0.00000    0.02227    1.17209
 49 Pt    0.00000   -0.02257   -0.37690
 50 Pt   -0.00000    0.02112   -0.43564
 51 O    -1.69131   -0.01395   -0.71786
 52 O     1.69131   -0.01395   -0.71786
 53 O     0.00000   -0.01134   -1.40513
 54 O     0.00000   -0.00206    1.77505
 55 Pt    0.00000   -0.01220    0.51718
 56 Pt   -0.00000    0.12265    0.65461
 57 O    -1.61407    0.01378    0.09157
 58 O     1.61407    0.01378    0.09157
 59 O     0.00000   -0.02127   -0.51594
 60 O     0.00000   -0.21012   -0.11568
 61 Pt   -0.00000    0.01297   -0.09327
 62 Pt   -0.00000    0.01744   -0.00637
 63 O    -0.01489   -0.00771    0.00334
 64 O     0.01489   -0.00771    0.00334
 65 O     0.00000    0.00009    0.00239
 66 O     0.00000   -0.01272   -0.00383
 67 Pt   -0.00000    0.00678    0.02730
 68 Pt   -0.00000    0.15417    0.02067
 69 O    -0.00967   -0.00155   -0.02858
 70 O     0.00967   -0.00155   -0.02858
 71 O    -0.00000    0.00809   -0.05222
 72 N    -0.00000    0.60728    0.38284
 73 N     0.00000   -0.60837   -0.05934

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.323339   24.295182    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.253985   24.034350    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:30:42  -3.74   +inf  -414.193824    3      1      
iter:   2  11:32:49  -4.27  -3.38  -414.265525    3      1      
iter:   3  11:34:57  -4.54  -2.65  -414.190041    3      1      
iter:   4  11:37:04  -5.25  -4.28  -414.190674    3      1      
iter:   5  11:39:12  -5.38  -4.29  -414.189573    2      1      
iter:   6  11:41:17  -5.60  -4.41  -414.190168    3      1      
iter:   7  11:43:24  -6.10  -4.54  -414.190128    2      1      
iter:   8  11:45:31  -6.44  -4.82  -414.190146    2      1      
iter:   9  11:47:39  -6.83  -4.51  -414.190083    2      1      
iter:  10  11:49:46  -6.72  -4.09  -414.190186    2      1      
iter:  11  11:51:54  -7.15  -5.00  -414.189992    2      1      
iter:  12  11:54:01  -7.42  -4.93  -414.190122    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962915, -32.543026, 0.033469) |e|*Ang

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

Kinetic:        +19.302013
Potential:     -137.915047
External:        +0.000000
XC:            -305.290846
Entropy (-ST):   -1.565856
Local:          +10.496686
--------------------------
Free energy:   -414.973050
Extrapolated:  -414.190122

Fermi level: -6.50648

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57512    0.14782
  0   340     -6.56074    0.14054
  0   341     -6.55976    0.14003
  0   342     -6.53073    0.12452

  1   339     -6.48096    0.19402
  1   340     -6.43260    0.14368
  1   341     -6.39780    0.11211
  1   342     -6.39250    0.10772



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17416
  1 Pt    0.00000   -0.00254   -0.37493
  2 Pt    0.00000   -0.01905   -0.43384
  3 O    -1.68339    0.00024   -0.71843
  4 O     1.68339    0.00024   -0.71843
  5 O     0.00000   -0.01152   -1.38643
  6 O     0.00000   -0.00270    1.76697
  7 Pt   -0.00000    0.01395    0.45171
  8 Pt    0.00000   -0.04033    0.75426
  9 O    -1.58089    0.00048    0.05173
 10 O     1.58089    0.00048    0.05173
 11 O     0.00000   -0.00887   -0.56555
 12 O    -0.00000    0.00916    0.13747
 13 Pt   -0.00000    0.28617   -0.03741
 14 Pt    0.00000   -0.02006    0.00881
 15 O    -0.00058    0.01059    0.00381
 16 O     0.00058    0.01059    0.00381
 17 O    -0.00000    0.01804   -1.07149
 18 O    -0.00000    0.00121    0.02644
 19 Pt    0.00000   -0.02412    0.12862
 20 Pt    0.00000   -0.06871    0.15375
 21 O    -0.21214    0.38651    0.22461
 22 O     0.21214    0.38651    0.22461
 23 O     0.00000   -0.01555   -0.08759
 24 O     0.00000   -0.00095    1.15009
 25 Pt   -0.00000    0.01703   -0.37792
 26 Pt    0.00000   -0.00016   -0.43438
 27 O    -1.69196    0.01338   -0.71773
 28 O     1.69196    0.01338   -0.71773
 29 O    -0.00000    0.04562   -1.38813
 30 O     0.00000   -0.00449    1.83259
 31 Pt   -0.00000    0.01915    0.51143
 32 Pt    0.00000   -0.14082    0.57904
 33 O    -1.61394   -0.01899    0.07082
 34 O     1.61394   -0.01899    0.07082
 35 O     0.00000   -0.03243   -0.52450
 36 O    -0.00000    0.21991   -0.11742
 37 Pt    0.00000   -0.32319   -0.04156
 38 Pt    0.00000   -0.00395   -0.01052
 39 O     0.01033    0.01137    0.01601
 40 O    -0.01033    0.01137    0.01601
 41 O     0.00000   -0.00007    0.00598
 42 O    -0.00000    0.03324   -0.01654
 43 Pt    0.00000   -0.00615    0.08772
 44 Pt    0.00000   -0.08694    0.02055
 45 O    -0.19602   -0.38729    0.18659
 46 O     0.19602   -0.38729    0.18659
 47 O     0.00000   -0.02298   -0.05727
 48 O    -0.00000    0.02228    1.17208
 49 Pt    0.00000   -0.02256   -0.37700
 50 Pt   -0.00000    0.02112   -0.43579
 51 O    -1.69128   -0.01395   -0.71794
 52 O     1.69128   -0.01395   -0.71794
 53 O     0.00000   -0.01136   -1.40502
 54 O     0.00000   -0.00206    1.77512
 55 Pt    0.00000   -0.01220    0.51710
 56 Pt   -0.00000    0.12262    0.65443
 57 O    -1.61402    0.01380    0.09155
 58 O     1.61402    0.01380    0.09155
 59 O     0.00000   -0.02127   -0.51587
 60 O     0.00000   -0.21018   -0.11558
 61 Pt   -0.00000    0.01307   -0.09294
 62 Pt   -0.00000    0.01749   -0.00590
 63 O    -0.01488   -0.00771    0.00340
 64 O     0.01488   -0.00771    0.00340
 65 O     0.00000    0.00012    0.00290
 66 O     0.00000   -0.01267   -0.00391
 67 Pt   -0.00000    0.00676    0.02743
 68 Pt   -0.00000    0.15416    0.02069
 69 O    -0.00974   -0.00145   -0.02845
 70 O     0.00974   -0.00145   -0.02845
 71 O    -0.00000    0.00818   -0.05239
 72 N    -0.00000    0.59667    0.38342
 73 N     0.00000   -0.60770   -0.04303

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.329480   24.288856    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.258201   24.031390    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:08:38  -3.71   +inf  -414.187358    3      1      
iter:   2  12:10:46  -4.51  -3.61  -414.197029    3      1      
iter:   3  12:12:53  -4.92  -3.43  -414.191870    3      1      
iter:   4  12:15:01  -5.38  -3.42  -414.189585    2      1      
iter:   5  12:17:08  -5.47  -4.34  -414.189795    3      1      
iter:   6  12:19:16  -5.60  -4.11  -414.189623    3      1      
iter:   7  12:21:22  -5.91  -4.40  -414.189375    2      1      
iter:   8  12:23:29  -6.17  -4.86  -414.189309    3      1      
iter:   9  12:25:36  -6.49  -4.67  -414.189318    2      1      
iter:  10  12:27:42  -7.01  -4.96  -414.189356    2      1      
iter:  11  12:29:49  -7.55  -4.78  -414.189370    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962947, -32.542985, 0.033938) |e|*Ang

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

Kinetic:        +19.083286
Potential:     -137.729861
External:        +0.000000
XC:            -305.254891
Entropy (-ST):   -1.565925
Local:          +10.495058
--------------------------
Free energy:   -414.972333
Extrapolated:  -414.189370

Fermi level: -6.50599

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57458    0.14779
  0   340     -6.56028    0.14055
  0   341     -6.55930    0.14005
  0   342     -6.53018    0.12448

  1   339     -6.48055    0.19411
  1   340     -6.43214    0.14370
  1   341     -6.39736    0.11214
  1   342     -6.39189    0.10762



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17402
  1 Pt    0.00000   -0.00253   -0.37486
  2 Pt    0.00000   -0.01906   -0.43372
  3 O    -1.68313    0.00025   -0.71839
  4 O     1.68313    0.00025   -0.71839
  5 O     0.00000   -0.01152   -1.38662
  6 O     0.00000   -0.00266    1.76779
  7 Pt   -0.00000    0.01395    0.45151
  8 Pt    0.00000   -0.04023    0.75406
  9 O    -1.58086    0.00049    0.05146
 10 O     1.58086    0.00049    0.05146
 11 O     0.00000   -0.00883   -0.56636
 12 O    -0.00000    0.00917    0.13652
 13 Pt   -0.00000    0.28631   -0.03809
 14 Pt    0.00000   -0.02006    0.00799
 15 O    -0.00060    0.01056    0.00329
 16 O     0.00060    0.01056    0.00329
 17 O    -0.00000    0.01797   -1.07045
 18 O    -0.00000    0.00122    0.02553
 19 Pt    0.00000   -0.02405    0.12902
 20 Pt    0.00000   -0.06710    0.15960
 21 O    -0.21223    0.38644    0.22430
 22 O     0.21223    0.38644    0.22430
 23 O     0.00000   -0.01509   -0.08595
 24 O     0.00000   -0.00095    1.14994
 25 Pt   -0.00000    0.01701   -0.37782
 26 Pt    0.00000   -0.00016   -0.43423
 27 O    -1.69169    0.01337   -0.71769
 28 O     1.69169    0.01337   -0.71769
 29 O    -0.00000    0.04562   -1.38824
 30 O     0.00000   -0.00451    1.83354
 31 Pt   -0.00000    0.01917    0.51121
 32 Pt    0.00000   -0.14090    0.57889
 33 O    -1.61395   -0.01897    0.07056
 34 O     1.61395   -0.01897    0.07056
 35 O     0.00000   -0.03244   -0.52526
 36 O    -0.00000    0.21980   -0.11827
 37 Pt    0.00000   -0.32338   -0.04213
 38 Pt    0.00000   -0.00394   -0.01142
 39 O     0.01030    0.01138    0.01547
 40 O    -0.01030    0.01138    0.01547
 41 O     0.00000   -0.00007    0.00670
 42 O    -0.00000    0.03321   -0.01742
 43 Pt    0.00000   -0.00630    0.08886
 44 Pt    0.00000   -0.08800    0.02342
 45 O    -0.19592   -0.38719    0.18568
 46 O     0.19592   -0.38719    0.18568
 47 O     0.00000   -0.02343   -0.05597
 48 O    -0.00000    0.02228    1.17193
 49 Pt    0.00000   -0.02256   -0.37691
 50 Pt   -0.00000    0.02114   -0.43566
 51 O    -1.69100   -0.01394   -0.71790
 52 O     1.69100   -0.01394   -0.71790
 53 O     0.00000   -0.01137   -1.40518
 54 O     0.00000   -0.00209    1.77599
 55 Pt    0.00000   -0.01222    0.51692
 56 Pt   -0.00000    0.12259    0.65433
 57 O    -1.61401    0.01376    0.09133
 58 O     1.61401    0.01376    0.09133
 59 O     0.00000   -0.02129   -0.51659
 60 O     0.00000   -0.21006   -0.11641
 61 Pt   -0.00000    0.01308   -0.09375
 62 Pt   -0.00000    0.01749   -0.00683
 63 O    -0.01490   -0.00769    0.00288
 64 O     0.01490   -0.00769    0.00288
 65 O     0.00000    0.00016    0.00304
 66 O     0.00000   -0.01269   -0.00483
 67 Pt   -0.00000    0.00678    0.02756
 68 Pt   -0.00000    0.15409    0.02103
 69 O    -0.00980   -0.00136   -0.02867
 70 O     0.00980   -0.00136   -0.02867
 71 O    -0.00000    0.00823   -0.05167
 72 N    -0.00000    0.46720    0.31347
 73 N     0.00000   -0.47649    0.00125

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.335340   24.282130    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.262987   24.028532    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:48:46  -3.70   +inf  -414.188857    3      1      
iter:   2  12:50:54  -4.52  -3.87  -414.194741    2      1      
iter:   3  12:53:01  -4.95  -3.20  -414.188018    2      1      
iter:   4  12:55:08  -5.40  -4.14  -414.189031    3      1      
iter:   5  12:57:15  -5.43  -4.17  -414.188189    2      1      
iter:   6  12:59:22  -5.66  -4.32  -414.188275    2      1      
iter:   7  13:01:30  -6.08  -4.62  -414.188149    2      1      
iter:   8  13:03:37  -6.32  -4.70  -414.188111    2      1      
iter:   9  13:05:44  -6.60  -4.58  -414.188258    2      1      
iter:  10  13:07:52  -7.17  -4.65  -414.188179    2      1      
iter:  11  13:09:59  -7.76  -5.06  -414.188174    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962920, -32.542315, 0.033403) |e|*Ang

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

Kinetic:        +19.109310
Potential:     -137.752842
External:        +0.000000
XC:            -305.256507
Entropy (-ST):   -1.565927
Local:          +10.494828
--------------------------
Free energy:   -414.971138
Extrapolated:  -414.188174

Fermi level: -6.50639

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57503    0.14782
  0   340     -6.56066    0.14054
  0   341     -6.55967    0.14003
  0   342     -6.53055    0.12447

  1   339     -6.48096    0.19412
  1   340     -6.43252    0.14369
  1   341     -6.39778    0.11216
  1   342     -6.39221    0.10755



Forces in eV/Ang:
  0 O     0.00000   -0.01741    1.17418
  1 Pt    0.00000   -0.00251   -0.37497
  2 Pt    0.00000   -0.01901   -0.43385
  3 O    -1.68323    0.00029   -0.71848
  4 O     1.68323    0.00029   -0.71848
  5 O     0.00000   -0.01156   -1.38686
  6 O     0.00000   -0.00273    1.76705
  7 Pt   -0.00000    0.01382    0.45107
  8 Pt    0.00000   -0.04031    0.75377
  9 O    -1.58086    0.00038    0.05123
 10 O     1.58086    0.00038    0.05123
 11 O     0.00000   -0.00890   -0.56673
 12 O    -0.00000    0.00920    0.13661
 13 Pt   -0.00000    0.28611   -0.03863
 14 Pt    0.00000   -0.02007    0.00787
 15 O    -0.00057    0.01050    0.00313
 16 O     0.00057    0.01050    0.00313
 17 O    -0.00000    0.01809   -1.07155
 18 O    -0.00000    0.00125    0.02576
 19 Pt    0.00000   -0.02391    0.12814
 20 Pt    0.00000   -0.06777    0.15425
 21 O    -0.21221    0.38644    0.22433
 22 O     0.21221    0.38644    0.22433
 23 O     0.00000   -0.01557   -0.08771
 24 O     0.00000   -0.00099    1.15010
 25 Pt   -0.00000    0.01702   -0.37801
 26 Pt    0.00000   -0.00023   -0.43431
 27 O    -1.69182    0.01335   -0.71778
 28 O     1.69182    0.01335   -0.71778
 29 O    -0.00000    0.04567   -1.38848
 30 O     0.00000   -0.00440    1.83300
 31 Pt   -0.00000    0.01924    0.51074
 32 Pt    0.00000   -0.14075    0.57861
 33 O    -1.61393   -0.01892    0.07031
 34 O     1.61393   -0.01892    0.07031
 35 O     0.00000   -0.03233   -0.52567
 36 O    -0.00000    0.21989   -0.11828
 37 Pt    0.00000   -0.32331   -0.04257
 38 Pt    0.00000   -0.00384   -0.01163
 39 O     0.01035    0.01143    0.01530
 40 O    -0.01035    0.01143    0.01530
 41 O     0.00000   -0.00023    0.00604
 42 O    -0.00000    0.03324   -0.01730
 43 Pt    0.00000   -0.00636    0.08632
 44 Pt    0.00000   -0.08741    0.01969
 45 O    -0.19512   -0.38704    0.18333
 46 O     0.19512   -0.38704    0.18333
 47 O     0.00000   -0.02303   -0.05728
 48 O    -0.00000    0.02228    1.17208
 49 Pt    0.00000   -0.02258   -0.37699
 50 Pt   -0.00000    0.02116   -0.43567
 51 O    -1.69108   -0.01397   -0.71799
 52 O     1.69108   -0.01397   -0.71799
 53 O     0.00000   -0.01137   -1.40536
 54 O     0.00000   -0.00212    1.77571
 55 Pt    0.00000   -0.01215    0.51655
 56 Pt   -0.00000    0.12253    0.65406
 57 O    -1.61404    0.01382    0.09111
 58 O     1.61404    0.01382    0.09111
 59 O     0.00000   -0.02133   -0.51707
 60 O     0.00000   -0.21017   -0.11655
 61 Pt   -0.00000    0.01320   -0.09430
 62 Pt   -0.00000    0.01739   -0.00710
 63 O    -0.01494   -0.00768    0.00269
 64 O     0.01494   -0.00768    0.00269
 65 O     0.00000    0.00017    0.00208
 66 O     0.00000   -0.01273   -0.00460
 67 Pt   -0.00000    0.00676    0.02682
 68 Pt   -0.00000    0.15400    0.02011
 69 O    -0.00978   -0.00130   -0.02874
 70 O     0.00978   -0.00130   -0.02874
 71 O    -0.00000    0.00822   -0.05239
 72 N    -0.00000    0.46400    0.29876
 73 N     0.00000   -0.45411    0.03623

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.341696   24.275143    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.267877   24.025808    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:28:46  -3.67   +inf  -414.187303    3      1      
iter:   2  13:30:54  -4.53  -4.24  -414.187753    2      1      
iter:   3  13:33:01  -5.04  -3.86  -414.187333    2      1      
iter:   4  13:35:08  -5.17  -3.85  -414.187031    3      1      
iter:   5  13:37:15  -5.34  -4.12  -414.187637    3      1      
iter:   6  13:39:22  -5.88  -4.31  -414.187040    2      1      
iter:   7  13:41:29  -6.19  -4.64  -414.187079    2      1      
iter:   8  13:43:35  -6.22  -4.81  -414.186993    2      1      
iter:   9  13:45:42  -6.49  -4.58  -414.187205    2      1      
iter:  10  13:47:49  -6.95  -4.35  -414.187067    2      1      
iter:  11  13:49:55  -7.74  -5.03  -414.187027    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962927, -32.541963, 0.033321) |e|*Ang

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

Kinetic:        +19.026165
Potential:     -137.680432
External:        +0.000000
XC:            -305.243445
Entropy (-ST):   -1.566034
Local:          +10.493703
--------------------------
Free energy:   -414.970044
Extrapolated:  -414.187027

Fermi level: -6.50643

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57512    0.14784
  0   340     -6.56070    0.14054
  0   341     -6.55971    0.14003
  0   342     -6.53058    0.12446

  1   339     -6.48105    0.19417
  1   340     -6.43255    0.14367
  1   341     -6.39788    0.11221
  1   342     -6.39218    0.10750



Forces in eV/Ang:
  0 O     0.00000   -0.01744    1.17403
  1 Pt    0.00000   -0.00256   -0.37461
  2 Pt    0.00000   -0.01905   -0.43365
  3 O    -1.68292    0.00024   -0.71843
  4 O     1.68292    0.00024   -0.71843
  5 O     0.00000   -0.01155   -1.38670
  6 O     0.00000   -0.00269    1.76815
  7 Pt   -0.00000    0.01394    0.45142
  8 Pt    0.00000   -0.04022    0.75386
  9 O    -1.58103    0.00048    0.05127
 10 O     1.58103    0.00048    0.05127
 11 O     0.00000   -0.00886   -0.56669
 12 O    -0.00000    0.00920    0.13663
 13 Pt   -0.00000    0.28616   -0.03878
 14 Pt    0.00000   -0.02003    0.00775
 15 O    -0.00081    0.01053    0.00312
 16 O     0.00081    0.01053    0.00312
 17 O    -0.00000    0.01813   -1.07195
 18 O    -0.00000    0.00132    0.02563
 19 Pt    0.00000   -0.02411    0.12840
 20 Pt    0.00000   -0.06773    0.15492
 21 O    -0.21208    0.38632    0.22443
 22 O     0.21208    0.38632    0.22443
 23 O     0.00000   -0.01558   -0.08658
 24 O     0.00000   -0.00094    1.14996
 25 Pt   -0.00000    0.01703   -0.37762
 26 Pt    0.00000   -0.00015   -0.43417
 27 O    -1.69150    0.01338   -0.71772
 28 O     1.69150    0.01338   -0.71772
 29 O    -0.00000    0.04564   -1.38836
 30 O     0.00000   -0.00449    1.83378
 31 Pt   -0.00000    0.01916    0.51111
 32 Pt    0.00000   -0.14092    0.57867
 33 O    -1.61412   -0.01898    0.07036
 34 O     1.61412   -0.01898    0.07036
 35 O     0.00000   -0.03241   -0.52558
 36 O    -0.00000    0.21979   -0.11808
 37 Pt    0.00000   -0.32345   -0.04267
 38 Pt    0.00000   -0.00393   -0.01159
 39 O     0.01009    0.01140    0.01533
 40 O    -0.01009    0.01140    0.01533
 41 O     0.00000   -0.00030    0.00565
 42 O    -0.00000    0.03318   -0.01732
 43 Pt    0.00000   -0.00622    0.08597
 44 Pt    0.00000   -0.08731    0.01960
 45 O    -0.19412   -0.38689    0.18138
 46 O     0.19412   -0.38689    0.18138
 47 O     0.00000   -0.02302   -0.05646
 48 O    -0.00000    0.02226    1.17194
 49 Pt    0.00000   -0.02254   -0.37669
 50 Pt   -0.00000    0.02111   -0.43557
 51 O    -1.69081   -0.01394   -0.71796
 52 O     1.69081   -0.01394   -0.71796
 53 O     0.00000   -0.01135   -1.40534
 54 O     0.00000   -0.00208    1.77627
 55 Pt    0.00000   -0.01220    0.51681
 56 Pt   -0.00000    0.12262    0.65413
 57 O    -1.61417    0.01378    0.09114
 58 O     1.61417    0.01378    0.09114
 59 O     0.00000   -0.02129   -0.51693
 60 O     0.00000   -0.21005   -0.11638
 61 Pt   -0.00000    0.01327   -0.09434
 62 Pt   -0.00000    0.01744   -0.00707
 63 O    -0.01511   -0.00768    0.00277
 64 O     0.01511   -0.00768    0.00277
 65 O     0.00000    0.00015    0.00152
 66 O     0.00000   -0.01277   -0.00461
 67 Pt   -0.00000    0.00684    0.02684
 68 Pt   -0.00000    0.15389    0.02078
 69 O    -0.00948   -0.00114   -0.02879
 70 O     0.00948   -0.00114   -0.02879
 71 O    -0.00000    0.00821   -0.05178
 72 N    -0.00000    0.42757    0.32602
 73 N     0.00000   -0.41120    0.08248

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.348263   24.268635    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.273189   24.023157    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:07:54  -3.65   +inf  -414.188985    3      1      
iter:   2  14:10:02  -4.49  -3.72  -414.184034    3      1      
iter:   3  14:12:10  -4.98  -3.58  -414.186273    3      1      
iter:   4  14:14:17  -5.43  -3.65  -414.186370    2      1      
iter:   5  14:16:24  -5.25  -4.16  -414.186106    3      1      
iter:   6  14:18:31  -5.58  -4.17  -414.185966    2      1      
iter:   7  14:20:38  -6.06  -4.58  -414.185804    2      1      
iter:   8  14:22:46  -6.29  -4.75  -414.186191    2      1      
iter:   9  14:24:53  -6.54  -4.47  -414.185735    2      1      
iter:  10  14:27:00  -6.94  -4.74  -414.185872    2      1      
iter:  11  14:29:07  -7.45  -5.08  -414.185805    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962919, -32.541509, 0.033701) |e|*Ang

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

Kinetic:        +18.979203
Potential:     -137.640148
External:        +0.000000
XC:            -305.234993
Entropy (-ST):   -1.566011
Local:          +10.493138
--------------------------
Free energy:   -414.968811
Extrapolated:  -414.185805

Fermi level: -6.50652

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57551    0.14799
  0   340     -6.56061    0.14045
  0   341     -6.55958    0.13992
  0   342     -6.53073    0.12449

  1   339     -6.48100    0.19401
  1   340     -6.43250    0.14354
  1   341     -6.39796    0.11220
  1   342     -6.39224    0.10747



Forces in eV/Ang:
  0 O     0.00000   -0.01743    1.17421
  1 Pt    0.00000   -0.00254   -0.37496
  2 Pt    0.00000   -0.01904   -0.43387
  3 O    -1.68414    0.00024   -0.71839
  4 O     1.68414    0.00024   -0.71839
  5 O     0.00000   -0.01156   -1.38641
  6 O     0.00000   -0.00268    1.76384
  7 Pt   -0.00000    0.01393    0.44991
  8 Pt    0.00000   -0.04018    0.75257
  9 O    -1.58114    0.00050    0.05105
 10 O     1.58114    0.00050    0.05105
 11 O     0.00000   -0.00887   -0.56689
 12 O    -0.00000    0.00924    0.13672
 13 Pt   -0.00000    0.28614   -0.03989
 14 Pt    0.00000   -0.02003    0.00716
 15 O    -0.00056    0.01046    0.00299
 16 O     0.00056    0.01046    0.00299
 17 O    -0.00000    0.01815   -1.07446
 18 O    -0.00000    0.00141    0.02612
 19 Pt    0.00000   -0.02424    0.12820
 20 Pt    0.00000   -0.06754    0.15448
 21 O    -0.21173    0.38616    0.22456
 22 O     0.21173    0.38616    0.22456
 23 O     0.00000   -0.01575   -0.08643
 24 O     0.00000   -0.00095    1.15014
 25 Pt   -0.00000    0.01700   -0.37797
 26 Pt    0.00000   -0.00015   -0.43445
 27 O    -1.69272    0.01338   -0.71769
 28 O     1.69272    0.01338   -0.71769
 29 O    -0.00000    0.04565   -1.38806
 30 O     0.00000   -0.00454    1.82944
 31 Pt   -0.00000    0.01917    0.50958
 32 Pt    0.00000   -0.14100    0.57742
 33 O    -1.61424   -0.01900    0.07013
 34 O     1.61424   -0.01900    0.07013
 35 O     0.00000   -0.03242   -0.52575
 36 O    -0.00000    0.21985   -0.11798
 37 Pt    0.00000   -0.32355   -0.04365
 38 Pt    0.00000   -0.00381   -0.01205
 39 O     0.01033    0.01145    0.01515
 40 O    -0.01033    0.01145    0.01515
 41 O     0.00000   -0.00046    0.00247
 42 O    -0.00000    0.03313   -0.01685
 43 Pt    0.00000   -0.00614    0.08483
 44 Pt    0.00000   -0.08714    0.01839
 45 O    -0.19306   -0.38666    0.17939
 46 O     0.19306   -0.38666    0.17939
 47 O     0.00000   -0.02289   -0.05640
 48 O    -0.00000    0.02226    1.17212
 49 Pt    0.00000   -0.02254   -0.37706
 50 Pt   -0.00000    0.02111   -0.43583
 51 O    -1.69204   -0.01394   -0.71789
 52 O     1.69204   -0.01394   -0.71789
 53 O     0.00000   -0.01136   -1.40506
 54 O     0.00000   -0.00203    1.77194
 55 Pt    0.00000   -0.01220    0.51536
 56 Pt   -0.00000    0.12266    0.65292
 57 O    -1.61425    0.01379    0.09095
 58 O     1.61425    0.01379    0.09095
 59 O     0.00000   -0.02127   -0.51711
 60 O     0.00000   -0.21015   -0.11633
 61 Pt   -0.00000    0.01336   -0.09537
 62 Pt   -0.00000    0.01733   -0.00758
 63 O    -0.01494   -0.00766    0.00267
 64 O     0.01494   -0.00766    0.00267
 65 O     0.00000    0.00019   -0.00214
 66 O     0.00000   -0.01281   -0.00407
 67 Pt   -0.00000    0.00691    0.02643
 68 Pt   -0.00000    0.15375    0.02073
 69 O    -0.00892   -0.00105   -0.02888
 70 O     0.00892   -0.00105   -0.02888
 71 O    -0.00000    0.00824   -0.05152
 72 N    -0.00000    0.35147    0.32790
 73 N     0.00000   -0.37441    0.09980

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.355060   24.261701    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.278471   24.020003    ( 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  14:46:59  -3.58   +inf  -414.233445    3      1      
iter:   2  14:49:06  -3.25  -2.76  -415.568708    3      1      
iter:   3  14:51:14  -3.57  -2.04  -414.186739    3      1      
iter:   4  14:53:21  -4.37  -3.58  -414.186419    3      1      
iter:   5  14:55:28  -4.84  -3.92  -414.184351    2      1      
iter:   6  14:57:34  -5.16  -4.02  -414.184238    3      1      
iter:   7  14:59:42  -5.45  -4.29  -414.184125    3      1      
iter:   8  15:01:47  -5.84  -4.28  -414.184309    2      1      
iter:   9  15:03:54  -6.32  -4.70  -414.184329    2      1      
iter:  10  15:06:01  -6.66  -4.46  -414.183968    2      1      
iter:  11  15:08:08  -6.99  -4.53  -414.184562    2      1      
iter:  12  15:10:16  -6.90  -4.48  -414.184202    2      1      
iter:  13  15:12:23  -7.21  -4.96  -414.184234    2      1      
iter:  14  15:14:29  -7.35  -4.85  -414.184244    2      1      
iter:  15  15:16:33  -7.92  -5.19  -414.184230    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962870, -32.541179, 0.033418) |e|*Ang

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

Kinetic:        +18.879838
Potential:     -137.556720
External:        +0.000000
XC:            -305.217138
Entropy (-ST):   -1.565917
Local:          +10.492748
--------------------------
Free energy:   -414.967189
Extrapolated:  -414.184230

Fermi level: -6.50658

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57532    0.14787
  0   340     -6.56080    0.14051
  0   341     -6.55979    0.13999
  0   342     -6.53063    0.12441

  1   339     -6.48108    0.19404
  1   340     -6.43270    0.14367
  1   341     -6.39806    0.11223
  1   342     -6.39211    0.10731



Forces in eV/Ang:
  0 O     0.00000   -0.01742    1.17420
  1 Pt    0.00000   -0.00254   -0.37512
  2 Pt    0.00000   -0.01905   -0.43392
  3 O    -1.68368    0.00024   -0.71838
  4 O     1.68368    0.00024   -0.71838
  5 O     0.00000   -0.01158   -1.38610
  6 O     0.00000   -0.00267    1.76598
  7 Pt   -0.00000    0.01390    0.45071
  8 Pt    0.00000   -0.04013    0.75344
  9 O    -1.58074    0.00052    0.05131
 10 O     1.58074    0.00052    0.05131
 11 O     0.00000   -0.00887   -0.56613
 12 O    -0.00000    0.00930    0.13742
 13 Pt   -0.00000    0.28624   -0.03829
 14 Pt    0.00000   -0.02004    0.00821
 15 O    -0.00046    0.01041    0.00331
 16 O     0.00046    0.01041    0.00331
 17 O    -0.00000    0.01809   -1.07273
 18 O    -0.00000    0.00145    0.02601
 19 Pt    0.00000   -0.02412    0.12836
 20 Pt    0.00000   -0.06570    0.15758
 21 O    -0.21198    0.38596    0.22417
 22 O     0.21198    0.38596    0.22417
 23 O     0.00000   -0.01543   -0.08763
 24 O     0.00000   -0.00096    1.15013
 25 Pt   -0.00000    0.01700   -0.37814
 26 Pt    0.00000   -0.00016   -0.43447
 27 O    -1.69226    0.01338   -0.71767
 28 O     1.69226    0.01338   -0.71767
 29 O    -0.00000    0.04565   -1.38776
 30 O     0.00000   -0.00457    1.83167
 31 Pt   -0.00000    0.01919    0.51037
 32 Pt    0.00000   -0.14104    0.57823
 33 O    -1.61386   -0.01903    0.07041
 34 O     1.61386   -0.01903    0.07041
 35 O     0.00000   -0.03244   -0.52496
 36 O    -0.00000    0.21998   -0.11747
 37 Pt    0.00000   -0.32379   -0.04210
 38 Pt    0.00000   -0.00391   -0.01133
 39 O     0.01045    0.01147    0.01545
 40 O    -0.01045    0.01147    0.01545
 41 O     0.00000   -0.00045    0.00673
 42 O    -0.00000    0.03266   -0.01693
 43 Pt    0.00000   -0.00629    0.08542
 44 Pt    0.00000   -0.08885    0.02028
 45 O    -0.19343   -0.38649    0.17890
 46 O     0.19343   -0.38649    0.17890
 47 O     0.00000   -0.02328   -0.05721
 48 O    -0.00000    0.02225    1.17212
 49 Pt    0.00000   -0.02253   -0.37722
 50 Pt   -0.00000    0.02112   -0.43585
 51 O    -1.69157   -0.01395   -0.71789
 52 O     1.69157   -0.01395   -0.71789
 53 O     0.00000   -0.01133   -1.40479
 54 O     0.00000   -0.00201    1.77412
 55 Pt    0.00000   -0.01220    0.51618
 56 Pt   -0.00000    0.12265    0.65378
 57 O    -1.61385    0.01379    0.09119
 58 O     1.61385    0.01379    0.09119
 59 O     0.00000   -0.02125   -0.51631
 60 O     0.00000   -0.21034   -0.11581
 61 Pt   -0.00000    0.01348   -0.09395
 62 Pt   -0.00000    0.01744   -0.00679
 63 O    -0.01482   -0.00763    0.00287
 64 O     0.01482   -0.00763    0.00287
 65 O     0.00000    0.00020    0.00170
 66 O     0.00000   -0.01242   -0.00417
 67 Pt   -0.00000    0.00690    0.02696
 68 Pt   -0.00000    0.15402    0.02014
 69 O    -0.00954   -0.00095   -0.02899
 70 O     0.00954   -0.00095   -0.02899
 71 O    -0.00000    0.00834   -0.05249
 72 N    -0.00000    0.24214    0.27047
 73 N     0.00000   -0.28035    0.11054

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.361833   24.254764    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.283938   24.016671    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:29:15  -3.61   +inf  -414.186387    3      1      
iter:   2  15:31:22  -4.10  -3.28  -414.304771    3      1      
iter:   3  15:33:29  -4.41  -2.55  -414.184434    2      1      
iter:   4  15:35:36  -5.08  -3.94  -414.182409    3      1      
iter:   5  15:37:43  -5.21  -4.22  -414.182414    3      1      
iter:   6  15:39:50  -5.46  -4.25  -414.182527    3      1      
iter:   7  15:41:57  -5.97  -4.39  -414.182550    2      1      
iter:   8  15:44:03  -6.35  -4.54  -414.182458    2      1      
iter:   9  15:46:10  -6.59  -4.40  -414.182679    2      1      
iter:  10  15:48:16  -6.62  -4.70  -414.182295    2      1      
iter:  11  15:50:23  -6.95  -4.71  -414.182515    2      1      
iter:  12  15:52:29  -7.37  -4.97  -414.182475    2      1      
iter:  13  15:54:36  -7.76  -5.30  -414.182480    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962893, -32.540846, 0.033618) |e|*Ang

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

Kinetic:        +18.811955
Potential:     -137.499088
External:        +0.000000
XC:            -305.204950
Entropy (-ST):   -1.565930
Local:          +10.492568
--------------------------
Free energy:   -414.965445
Extrapolated:  -414.182480

Fermi level: -6.50636

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57513    0.14788
  0   340     -6.56059    0.14052
  0   341     -6.55959    0.14000
  0   342     -6.53037    0.12438

  1   339     -6.48090    0.19408
  1   340     -6.43249    0.14368
  1   341     -6.39789    0.11227
  1   342     -6.39178    0.10722



Forces in eV/Ang:
  0 O     0.00000   -0.01742    1.17413
  1 Pt    0.00000   -0.00254   -0.37494
  2 Pt    0.00000   -0.01904   -0.43375
  3 O    -1.68362    0.00026   -0.71838
  4 O     1.68362    0.00026   -0.71838
  5 O     0.00000   -0.01160   -1.38615
  6 O     0.00000   -0.00267    1.76640
  7 Pt   -0.00000    0.01389    0.45112
  8 Pt    0.00000   -0.04010    0.75360
  9 O    -1.58083    0.00049    0.05143
 10 O     1.58083    0.00049    0.05143
 11 O     0.00000   -0.00887   -0.56620
 12 O    -0.00000    0.00932    0.13745
 13 Pt   -0.00000    0.28613   -0.03853
 14 Pt    0.00000   -0.02002    0.00800
 15 O    -0.00055    0.01045    0.00331
 16 O     0.00055    0.01045    0.00331
 17 O    -0.00000    0.01810   -1.07246
 18 O    -0.00000    0.00140    0.02594
 19 Pt    0.00000   -0.02390    0.12869
 20 Pt    0.00000   -0.06565    0.15748
 21 O    -0.21202    0.38610    0.22434
 22 O     0.21202    0.38610    0.22434
 23 O     0.00000   -0.01558   -0.08741
 24 O     0.00000   -0.00097    1.15005
 25 Pt   -0.00000    0.01699   -0.37797
 26 Pt    0.00000   -0.00017   -0.43429
 27 O    -1.69220    0.01337   -0.71767
 28 O     1.69220    0.01337   -0.71767
 29 O    -0.00000    0.04567   -1.38776
 30 O     0.00000   -0.00453    1.83217
 31 Pt   -0.00000    0.01920    0.51078
 32 Pt    0.00000   -0.14104    0.57840
 33 O    -1.61396   -0.01899    0.07051
 34 O     1.61396   -0.01899    0.07051
 35 O     0.00000   -0.03241   -0.52505
 36 O    -0.00000    0.21983   -0.11735
 37 Pt    0.00000   -0.32378   -0.04225
 38 Pt    0.00000   -0.00394   -0.01152
 39 O     0.01034    0.01142    0.01546
 40 O    -0.01034    0.01142    0.01546
 41 O     0.00000   -0.00061    0.00710
 42 O    -0.00000    0.03292   -0.01703
 43 Pt    0.00000   -0.00643    0.08477
 44 Pt    0.00000   -0.08814    0.01917
 45 O    -0.19253   -0.38652    0.17649
 46 O     0.19253   -0.38652    0.17649
 47 O     0.00000   -0.02304   -0.05711
 48 O    -0.00000    0.02227    1.17204
 49 Pt    0.00000   -0.02252   -0.37703
 50 Pt   -0.00000    0.02113   -0.43565
 51 O    -1.69150   -0.01395   -0.71789
 52 O     1.69150   -0.01395   -0.71789
 53 O     0.00000   -0.01133   -1.40482
 54 O     0.00000   -0.00205    1.77463
 55 Pt    0.00000   -0.01220    0.51657
 56 Pt   -0.00000    0.12262    0.65396
 57 O    -1.61395    0.01379    0.09131
 58 O     1.61395    0.01379    0.09131
 59 O     0.00000   -0.02128   -0.51640
 60 O     0.00000   -0.21019   -0.11575
 61 Pt   -0.00000    0.01356   -0.09406
 62 Pt   -0.00000    0.01745   -0.00703
 63 O    -0.01487   -0.00763    0.00289
 64 O     0.01487   -0.00763    0.00289
 65 O     0.00000    0.00026    0.00181
 66 O     0.00000   -0.01263   -0.00429
 67 Pt   -0.00000    0.00683    0.02704
 68 Pt   -0.00000    0.15357    0.02051
 69 O    -0.00963   -0.00086   -0.02916
 70 O     0.00963   -0.00086   -0.02916
 71 O    -0.00000    0.00825   -0.05223
 72 N    -0.00000    0.16926    0.26503
 73 N     0.00000   -0.22430    0.10526

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.368483   24.248020    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.289678   24.012778    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:05:04  -3.61   +inf  -414.184812    3      1      
iter:   2  16:07:11  -4.15  -3.31  -414.286499    2      1      
iter:   3  16:09:18  -4.45  -2.58  -414.181184    3      1      
iter:   4  16:11:25  -5.14  -4.23  -414.180023    2      1      
iter:   5  16:13:32  -5.27  -4.20  -414.181067    3      1      
iter:   6  16:15:38  -5.60  -4.18  -414.180492    2      1      
iter:   7  16:17:44  -6.07  -4.45  -414.180572    2      1      
iter:   8  16:19:51  -6.23  -4.64  -414.180457    2      1      
iter:   9  16:21:58  -6.58  -3.95  -414.180498    2      1      
iter:  10  16:24:05  -6.77  -4.52  -414.180534    2      1      
iter:  11  16:26:12  -6.89  -4.95  -414.180446    2      1      
iter:  12  16:28:19  -7.26  -5.01  -414.180562    2      1      
iter:  13  16:30:25  -7.79  -5.16  -414.180524    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962874, -32.540597, 0.033533) |e|*Ang

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

Kinetic:        +18.786131
Potential:     -137.476326
External:        +0.000000
XC:            -305.200504
Entropy (-ST):   -1.565891
Local:          +10.493120
--------------------------
Free energy:   -414.963470
Extrapolated:  -414.180524

Fermi level: -6.50629

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57498    0.14784
  0   340     -6.56058    0.14055
  0   341     -6.55957    0.14003
  0   342     -6.53021    0.12434

  1   339     -6.48088    0.19414
  1   340     -6.43247    0.14373
  1   341     -6.39785    0.11230
  1   342     -6.39155    0.10710



Forces in eV/Ang:
  0 O     0.00000   -0.01742    1.17416
  1 Pt    0.00000   -0.00254   -0.37475
  2 Pt    0.00000   -0.01904   -0.43371
  3 O    -1.68341    0.00028   -0.71839
  4 O     1.68341    0.00028   -0.71839
  5 O     0.00000   -0.01161   -1.38628
  6 O     0.00000   -0.00268    1.76717
  7 Pt   -0.00000    0.01388    0.45167
  8 Pt    0.00000   -0.04008    0.75402
  9 O    -1.58077    0.00046    0.05151
 10 O     1.58077    0.00046    0.05151
 11 O     0.00000   -0.00887   -0.56594
 12 O    -0.00000    0.00935    0.13788
 13 Pt   -0.00000    0.28604   -0.03793
 14 Pt    0.00000   -0.01999    0.00844
 15 O    -0.00055    0.01048    0.00338
 16 O     0.00055    0.01048    0.00338
 17 O    -0.00000    0.01808   -1.07146
 18 O    -0.00000    0.00139    0.02597
 19 Pt    0.00000   -0.02372    0.12878
 20 Pt    0.00000   -0.06512    0.15707
 21 O    -0.21218    0.38601    0.22419
 22 O     0.21218    0.38601    0.22419
 23 O     0.00000   -0.01568   -0.08801
 24 O     0.00000   -0.00099    1.15007
 25 Pt   -0.00000    0.01698   -0.37780
 26 Pt    0.00000   -0.00020   -0.43420
 27 O    -1.69200    0.01335   -0.71768
 28 O     1.69200    0.01335   -0.71768
 29 O    -0.00000    0.04569   -1.38785
 30 O     0.00000   -0.00449    1.83309
 31 Pt   -0.00000    0.01922    0.51132
 32 Pt    0.00000   -0.14103    0.57876
 33 O    -1.61390   -0.01897    0.07060
 34 O     1.61390   -0.01897    0.07060
 35 O     0.00000   -0.03240   -0.52486
 36 O    -0.00000    0.21979   -0.11700
 37 Pt    0.00000   -0.32376   -0.04163
 38 Pt    0.00000   -0.00403   -0.01119
 39 O     0.01033    0.01139    0.01552
 40 O    -0.01033    0.01139    0.01552
 41 O     0.00000   -0.00074    0.00887
 42 O    -0.00000    0.03288   -0.01699
 43 Pt    0.00000   -0.00658    0.08413
 44 Pt    0.00000   -0.08816    0.01851
 45 O    -0.19203   -0.38631    0.17443
 46 O     0.19203   -0.38631    0.17443
 47 O     0.00000   -0.02301   -0.05755
 48 O    -0.00000    0.02228    1.17207
 49 Pt    0.00000   -0.02252   -0.37682
 50 Pt   -0.00000    0.02115   -0.43555
 51 O    -1.69127   -0.01395   -0.71790
 52 O     1.69127   -0.01395   -0.71790
 53 O     0.00000   -0.01133   -1.40491
 54 O     0.00000   -0.00208    1.77557
 55 Pt    0.00000   -0.01220    0.51711
 56 Pt   -0.00000    0.12258    0.65434
 57 O    -1.61392    0.01380    0.09138
 58 O     1.61392    0.01380    0.09138
 59 O     0.00000   -0.02129   -0.51624
 60 O     0.00000   -0.21019   -0.11549
 61 Pt   -0.00000    0.01365   -0.09345
 62 Pt   -0.00000    0.01751   -0.00670
 63 O    -0.01482   -0.00764    0.00292
 64 O     0.01482   -0.00764    0.00292
 65 O     0.00000    0.00028    0.00342
 66 O     0.00000   -0.01257   -0.00422
 67 Pt   -0.00000    0.00680    0.02719
 68 Pt   -0.00000    0.15348    0.02050
 69 O    -0.00995   -0.00076   -0.02933
 70 O     0.00995   -0.00076   -0.02933
 71 O    -0.00000    0.00828   -0.05254
 72 N    -0.00000    0.12114    0.26141
 73 N     0.00000   -0.18279    0.07656

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.375351   24.241542    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.295781   24.007665    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:41:09  -3.59   +inf  -414.178273    3      1      
iter:   2  16:43:16  -4.48  -3.87  -414.185383    3      1      
iter:   3  16:45:23  -4.98  -3.26  -414.179655    2      1      
iter:   4  16:47:29  -5.49  -3.82  -414.178269    2      1      
iter:   5  16:49:37  -5.35  -4.15  -414.179045    3      1      
iter:   6  16:51:43  -5.63  -4.19  -414.178765    2      1      
iter:   7  16:53:50  -6.12  -4.54  -414.178639    2      1      
iter:   8  16:55:55  -6.32  -4.65  -414.178537    2      1      
iter:   9  16:58:01  -6.46  -4.57  -414.178681    2      1      
iter:  10  17:00:08  -7.20  -4.90  -414.178654    2      1      
iter:  11  17:02:14  -7.66  -4.66  -414.178572    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962893, -32.540632, 0.033445) |e|*Ang

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

Kinetic:        +18.716500
Potential:     -137.416524
External:        +0.000000
XC:            -305.188985
Entropy (-ST):   -1.566051
Local:          +10.493463
--------------------------
Free energy:   -414.961597
Extrapolated:  -414.178572

Fermi level: -6.50617

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57492    0.14787
  0   340     -6.56050    0.14058
  0   341     -6.55951    0.14006
  0   342     -6.53008    0.12434

  1   339     -6.48088    0.19427
  1   340     -6.43234    0.14372
  1   341     -6.39782    0.11238
  1   342     -6.39133    0.10701



Forces in eV/Ang:
  0 O     0.00000   -0.01741    1.17385
  1 Pt    0.00000   -0.00255   -0.37431
  2 Pt    0.00000   -0.01904   -0.43345
  3 O    -1.68253    0.00025   -0.71848
  4 O     1.68253    0.00025   -0.71848
  5 O     0.00000   -0.01162   -1.38665
  6 O     0.00000   -0.00267    1.76965
  7 Pt   -0.00000    0.01395    0.45202
  8 Pt    0.00000   -0.04004    0.75398
  9 O    -1.58103    0.00049    0.05158
 10 O     1.58103    0.00049    0.05158
 11 O     0.00000   -0.00888   -0.56643
 12 O    -0.00000    0.00932    0.13724
 13 Pt   -0.00000    0.28567   -0.03871
 14 Pt    0.00000   -0.01998    0.00799
 15 O    -0.00097    0.01054    0.00320
 16 O     0.00097    0.01054    0.00320
 17 O    -0.00000    0.01805   -1.07054
 18 O    -0.00000    0.00147    0.02548
 19 Pt    0.00000   -0.02385    0.12855
 20 Pt    0.00000   -0.06543    0.15465
 21 O    -0.21207    0.38591    0.22436
 22 O     0.21207    0.38591    0.22436
 23 O     0.00000   -0.01588   -0.08684
 24 O     0.00000   -0.00098    1.14979
 25 Pt   -0.00000    0.01698   -0.37736
 26 Pt    0.00000   -0.00016   -0.43398
 27 O    -1.69112    0.01338   -0.71777
 28 O     1.69112    0.01338   -0.71777
 29 O    -0.00000    0.04574   -1.38817
 30 O     0.00000   -0.00445    1.83528
 31 Pt   -0.00000    0.01914    0.51166
 32 Pt    0.00000   -0.14113    0.57864
 33 O    -1.61418   -0.01899    0.07066
 34 O     1.61418   -0.01899    0.07066
 35 O     0.00000   -0.03239   -0.52546
 36 O    -0.00000    0.21947   -0.11726
 37 Pt    0.00000   -0.32340   -0.04224
 38 Pt    0.00000   -0.00404   -0.01129
 39 O     0.00991    0.01132    0.01538
 40 O    -0.00991    0.01132    0.01538
 41 O     0.00000   -0.00088    0.00776
 42 O    -0.00000    0.03306   -0.01748
 43 Pt    0.00000   -0.00652    0.08256
 44 Pt    0.00000   -0.08719    0.01648
 45 O    -0.19042   -0.38591    0.17100
 46 O     0.19042   -0.38591    0.17100
 47 O     0.00000   -0.02276   -0.05667
 48 O    -0.00000    0.02227    1.17177
 49 Pt    0.00000   -0.02251   -0.37637
 50 Pt   -0.00000    0.02111   -0.43531
 51 O    -1.69042   -0.01395   -0.71799
 52 O     1.69042   -0.01395   -0.71799
 53 O     0.00000   -0.01138   -1.40530
 54 O     0.00000   -0.00213    1.77771
 55 Pt    0.00000   -0.01220    0.51733
 56 Pt   -0.00000    0.12265    0.65427
 57 O    -1.61418    0.01379    0.09144
 58 O     1.61418    0.01379    0.09144
 59 O     0.00000   -0.02130   -0.51684
 60 O     0.00000   -0.20982   -0.11584
 61 Pt   -0.00000    0.01369   -0.09401
 62 Pt   -0.00000    0.01751   -0.00688
 63 O    -0.01516   -0.00763    0.00282
 64 O     0.01516   -0.00763    0.00282
 65 O     0.00000    0.00024    0.00217
 66 O     0.00000   -0.01286   -0.00470
 67 Pt   -0.00000    0.00688    0.02667
 68 Pt   -0.00000    0.15330    0.02104
 69 O    -0.00947   -0.00061   -0.02920
 70 O     0.00947   -0.00061   -0.02920
 71 O    -0.00000    0.00820   -0.05169
 72 N    -0.00000    0.06083    0.26243
 73 N     0.00000   -0.13428    0.11435

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.383243   24.234074    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.301986   24.002116    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:16:57  -3.49   +inf  -414.186455    3      1      
iter:   2  17:19:03  -3.84  -3.12  -414.452486    3      1      
iter:   3  17:21:10  -4.14  -2.39  -414.175789    3      1      
iter:   4  17:23:17  -4.81  -3.78  -414.177564    3      1      
iter:   5  17:25:24  -5.23  -4.15  -414.176216    2      1      
iter:   6  17:27:31  -5.33  -4.29  -414.176623    3      1      
iter:   7  17:29:38  -5.76  -4.18  -414.176593    2      1      
iter:   8  17:31:45  -5.93  -4.36  -414.176446    2      1      
iter:   9  17:33:51  -6.25  -4.70  -414.176582    2      1      
iter:  10  17:35:57  -6.50  -4.11  -414.176572    2      1      
iter:  11  17:38:03  -6.66  -4.54  -414.176239    2      1      
iter:  12  17:40:09  -7.29  -4.71  -414.176462    2      1      
iter:  13  17:42:16  -7.48  -5.02  -414.176442    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962908, -32.540822, 0.034435) |e|*Ang

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

Kinetic:        +18.499133
Potential:     -137.234900
External:        +0.000000
XC:            -305.151201
Entropy (-ST):   -1.565890
Local:          +10.493470
--------------------------
Free energy:   -414.959387
Extrapolated:  -414.176442

Fermi level: -6.50556

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57436    0.14790
  0   340     -6.55987    0.14056
  0   341     -6.55886    0.14004
  0   342     -6.52938    0.12428

  1   339     -6.48016    0.19415
  1   340     -6.43174    0.14374
  1   341     -6.39722    0.11239
  1   342     -6.39050    0.10684



Forces in eV/Ang:
  0 O     0.00000   -0.01740    1.17400
  1 Pt    0.00000   -0.00254   -0.37513
  2 Pt    0.00000   -0.01905   -0.43370
  3 O    -1.68344    0.00026   -0.71857
  4 O     1.68344    0.00026   -0.71857
  5 O     0.00000   -0.01162   -1.38703
  6 O     0.00000   -0.00265    1.76694
  7 Pt   -0.00000    0.01392    0.45063
  8 Pt    0.00000   -0.03997    0.75290
  9 O    -1.58077    0.00049    0.05096
 10 O     1.58077    0.00049    0.05096
 11 O     0.00000   -0.00887   -0.56704
 12 O    -0.00000    0.00938    0.13659
 13 Pt   -0.00000    0.28565   -0.03898
 14 Pt    0.00000   -0.01999    0.00779
 15 O    -0.00070    0.01045    0.00301
 16 O     0.00070    0.01045    0.00301
 17 O    -0.00000    0.01784   -1.06906
 18 O    -0.00000    0.00149    0.02537
 19 Pt    0.00000   -0.02375    0.12894
 20 Pt    0.00000   -0.06293    0.16120
 21 O    -0.21206    0.38565    0.22421
 22 O     0.21206    0.38565    0.22421
 23 O     0.00000   -0.01557   -0.08661
 24 O     0.00000   -0.00099    1.14992
 25 Pt   -0.00000    0.01696   -0.37818
 26 Pt    0.00000   -0.00018   -0.43422
 27 O    -1.69202    0.01335   -0.71787
 28 O     1.69202    0.01335   -0.71787
 29 O    -0.00000    0.04574   -1.38854
 30 O     0.00000   -0.00453    1.83274
 31 Pt   -0.00000    0.01918    0.51026
 32 Pt    0.00000   -0.14123    0.57758
 33 O    -1.61394   -0.01898    0.07001
 34 O     1.61394   -0.01898    0.07001
 35 O     0.00000   -0.03242   -0.52600
 36 O    -0.00000    0.21941   -0.11795
 37 Pt    0.00000   -0.32345   -0.04241
 38 Pt    0.00000   -0.00402   -0.01163
 39 O     0.01016    0.01138    0.01512
 40 O    -0.01016    0.01138    0.01512
 41 O     0.00000   -0.00095    0.00891
 42 O    -0.00000    0.03290   -0.01754
 43 Pt    0.00000   -0.00672    0.08318
 44 Pt    0.00000   -0.08834    0.01905
 45 O    -0.19013   -0.38557    0.16946
 46 O     0.19013   -0.38557    0.16946
 47 O     0.00000   -0.02304   -0.05651
 48 O    -0.00000    0.02227    1.17190
 49 Pt    0.00000   -0.02249   -0.37719
 50 Pt   -0.00000    0.02114   -0.43556
 51 O    -1.69131   -0.01393   -0.71809
 52 O     1.69131   -0.01393   -0.71809
 53 O     0.00000   -0.01137   -1.40570
 54 O     0.00000   -0.00208    1.77510
 55 Pt    0.00000   -0.01220    0.51603
 56 Pt   -0.00000    0.12267    0.65324
 57 O    -1.61391    0.01378    0.09082
 58 O     1.61391    0.01378    0.09082
 59 O     0.00000   -0.02127   -0.51737
 60 O     0.00000   -0.20984   -0.11652
 61 Pt   -0.00000    0.01376   -0.09441
 62 Pt   -0.00000    0.01749   -0.00724
 63 O    -0.01496   -0.00760    0.00256
 64 O     0.01496   -0.00760    0.00256
 65 O     0.00000    0.00029    0.00263
 66 O     0.00000   -0.01274   -0.00476
 67 Pt   -0.00000    0.00689    0.02699
 68 Pt   -0.00000    0.15313    0.02094
 69 O    -0.00973   -0.00049   -0.02939
 70 O     0.00973   -0.00049   -0.02939
 71 O    -0.00000    0.00822   -0.05180
 72 N     0.00000   -0.08410    0.23235
 73 N    -0.00000    0.01419    0.13578

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.384886   24.234368    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.306990   23.998121    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:01:48  -3.98   +inf  -414.192600    3      1      
iter:   2  18:03:55  -3.90  -3.12  -414.422968    3      1      
iter:   3  18:06:02  -4.13  -2.40  -414.175748    3      1      
iter:   4  18:08:06  -4.78  -3.37  -414.176747    3      1      
iter:   5  18:10:12  -5.50  -4.12  -414.175732    3      1      
iter:   6  18:12:18  -5.41  -4.00  -414.175240    3      1      
iter:   7  18:14:26  -5.72  -4.27  -414.175773    2      1      
iter:   8  18:16:33  -5.75  -4.36  -414.175679    3      1      
iter:   9  18:18:40  -6.23  -4.52  -414.175803    2      1      
iter:  10  18:20:49  -6.25  -4.33  -414.175945    2      1      
iter:  11  18:22:55  -6.93  -4.15  -414.175550    2      1      
iter:  12  18:25:02  -6.96  -4.57  -414.175801    2      1      
iter:  13  18:27:08  -7.07  -4.79  -414.175740    2      1      
iter:  14  18:29:15  -7.24  -4.94  -414.175707    2      1      
iter:  15  18:31:22  -7.53  -4.84  -414.175637    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962859, -32.540399, 0.032711) |e|*Ang

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

Kinetic:        +18.951664
Potential:     -137.604523
External:        +0.000000
XC:            -305.236832
Entropy (-ST):   -1.566012
Local:          +10.497061
--------------------------
Free energy:   -414.958643
Extrapolated:  -414.175637

Fermi level: -6.50678

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57571    0.14796
  0   340     -6.56105    0.14054
  0   341     -6.56002    0.14001
  0   342     -6.53068    0.12433

  1   339     -6.48146    0.19424
  1   340     -6.43290    0.14367
  1   341     -6.39842    0.11237
  1   342     -6.39175    0.10686



Forces in eV/Ang:
  0 O     0.00000   -0.01740    1.17422
  1 Pt    0.00000   -0.00254   -0.37448
  2 Pt    0.00000   -0.01903   -0.43362
  3 O    -1.68304    0.00026   -0.71858
  4 O     1.68304    0.00026   -0.71858
  5 O     0.00000   -0.01162   -1.38657
  6 O     0.00000   -0.00266    1.76767
  7 Pt   -0.00000    0.01387    0.45113
  8 Pt    0.00000   -0.04002    0.75351
  9 O    -1.58106    0.00045    0.05140
 10 O     1.58106    0.00045    0.05140
 11 O     0.00000   -0.00889   -0.56677
 12 O    -0.00000    0.00933    0.13781
 13 Pt   -0.00000    0.28494   -0.03919
 14 Pt    0.00000   -0.02001    0.00809
 15 O    -0.00065    0.01042    0.00320
 16 O     0.00065    0.01042    0.00320
 17 O    -0.00000    0.01753   -1.07061
 18 O    -0.00000    0.00143    0.02622
 19 Pt    0.00000   -0.02360    0.12765
 20 Pt    0.00000   -0.06242    0.15702
 21 O    -0.21116    0.38502    0.22504
 22 O     0.21116    0.38502    0.22504
 23 O     0.00000   -0.01582   -0.08898
 24 O     0.00000   -0.00100    1.15014
 25 Pt   -0.00000    0.01696   -0.37755
 26 Pt    0.00000   -0.00019   -0.43414
 27 O    -1.69163    0.01337   -0.71786
 28 O     1.69163    0.01337   -0.71786
 29 O    -0.00000    0.04574   -1.38809
 30 O     0.00000   -0.00457    1.83346
 31 Pt   -0.00000    0.01920    0.51075
 32 Pt    0.00000   -0.14130    0.57798
 33 O    -1.61421   -0.01897    0.07048
 34 O     1.61421   -0.01897    0.07048
 35 O     0.00000   -0.03243   -0.52561
 36 O    -0.00000    0.21923   -0.11673
 37 Pt    0.00000   -0.32257   -0.04282
 38 Pt    0.00000   -0.00398   -0.01140
 39 O     0.01027    0.01144    0.01525
 40 O    -0.01027    0.01144    0.01525
 41 O     0.00000   -0.00110    0.00593
 42 O    -0.00000    0.03276   -0.01663
 43 Pt    0.00000   -0.00669    0.08124
 44 Pt    0.00000   -0.08759    0.01687
 45 O    -0.18898   -0.38444    0.17007
 46 O     0.18898   -0.38444    0.17007
 47 O     0.00000   -0.02296   -0.05790
 48 O    -0.00000    0.02228    1.17212
 49 Pt    0.00000   -0.02250   -0.37657
 50 Pt   -0.00000    0.02114   -0.43545
 51 O    -1.69091   -0.01396   -0.71809
 52 O     1.69091   -0.01396   -0.71809
 53 O     0.00000   -0.01137   -1.40523
 54 O     0.00000   -0.00203    1.77596
 55 Pt    0.00000   -0.01218    0.51657
 56 Pt   -0.00000    0.12277    0.65365
 57 O    -1.61421    0.01382    0.09128
 58 O     1.61421    0.01382    0.09128
 59 O     0.00000   -0.02124   -0.51695
 60 O     0.00000   -0.20964   -0.11547
 61 Pt   -0.00000    0.01372   -0.09430
 62 Pt   -0.00000    0.01747   -0.00699
 63 O    -0.01498   -0.00764    0.00281
 64 O     0.01498   -0.00764    0.00281
 65 O     0.00000    0.00029    0.00059
 66 O     0.00000   -0.01250   -0.00371
 67 Pt   -0.00000    0.00675    0.02647
 68 Pt   -0.00000    0.15327    0.02071
 69 O    -0.00901   -0.00069   -0.02826
 70 O     0.00901   -0.00069   -0.02826
 71 O    -0.00000    0.00831   -0.05257
 72 N    -0.00000    0.23009    0.27448
 73 N     0.00000   -0.26931    0.05873

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.394032   24.226903    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.314554   23.989379    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:55:39  -3.33   +inf  -414.174418    3      1      
iter:   2  18:57:46  -4.25  -3.83  -414.177230    2      1      
iter:   3  18:59:53  -4.80  -3.30  -414.173392    2      1      
iter:   4  19:01:59  -5.18  -3.75  -414.174630    3      1      
iter:   5  19:04:07  -5.28  -3.90  -414.172920    2      1      
iter:   6  19:06:14  -5.39  -3.85  -414.173212    3      1      
iter:   7  19:08:20  -5.74  -4.30  -414.172945    2      1      
iter:   8  19:10:27  -5.91  -4.67  -414.172764    3      1      
iter:   9  19:12:33  -6.25  -4.42  -414.173258    2      1      
iter:  10  19:14:36  -6.34  -4.08  -414.172880    2      1      
iter:  11  19:16:42  -6.80  -4.71  -414.172764    2      1      
iter:  12  19:18:49  -7.29  -4.82  -414.172931    2      1      
iter:  13  19:20:56  -7.41  -4.99  -414.172846    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962848, -32.542080, 0.035605) |e|*Ang

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

Kinetic:        +18.646361
Potential:     -137.349908
External:        +0.000000
XC:            -305.181577
Entropy (-ST):   -1.565895
Local:          +10.495226
--------------------------
Free energy:   -414.955793
Extrapolated:  -414.172846

Fermi level: -6.50422

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57308    0.14792
  0   340     -6.55862    0.14061
  0   341     -6.55761    0.14009
  0   342     -6.52797    0.12424

  1   339     -6.47895    0.19429
  1   340     -6.43046    0.14379
  1   341     -6.39595    0.11244
  1   342     -6.38888    0.10661



Forces in eV/Ang:
  0 O     0.00000   -0.01739    1.17434
  1 Pt    0.00000   -0.00254   -0.37406
  2 Pt    0.00000   -0.01906   -0.43271
  3 O    -1.68270    0.00026   -0.71816
  4 O     1.68270    0.00026   -0.71816
  5 O     0.00000   -0.01165   -1.38672
  6 O     0.00000   -0.00268    1.76932
  7 Pt   -0.00000    0.01383    0.45180
  8 Pt    0.00000   -0.03995    0.75371
  9 O    -1.58086    0.00044    0.05138
 10 O     1.58086    0.00044    0.05138
 11 O     0.00000   -0.00889   -0.56649
 12 O    -0.00000    0.00945    0.13726
 13 Pt   -0.00000    0.28466   -0.03825
 14 Pt    0.00000   -0.01985    0.00821
 15 O    -0.00090    0.01030    0.00328
 16 O     0.00090    0.01030    0.00328
 17 O    -0.00000    0.01732   -1.06410
 18 O    -0.00000    0.00164    0.02522
 19 Pt    0.00000   -0.02389    0.12678
 20 Pt    0.00000   -0.05984    0.16037
 21 O    -0.21210    0.38510    0.22261
 22 O     0.21210    0.38510    0.22261
 23 O     0.00000   -0.01571   -0.08805
 24 O     0.00000   -0.00101    1.15024
 25 Pt   -0.00000    0.01693   -0.37715
 26 Pt    0.00000   -0.00020   -0.43321
 27 O    -1.69128    0.01335   -0.71746
 28 O     1.69128    0.01335   -0.71746
 29 O    -0.00000    0.04577   -1.38821
 30 O     0.00000   -0.00460    1.83536
 31 Pt   -0.00000    0.01927    0.51149
 32 Pt    0.00000   -0.14146    0.57826
 33 O    -1.61404   -0.01894    0.07047
 34 O     1.61404   -0.01894    0.07047
 35 O     0.00000   -0.03242   -0.52519
 36 O    -0.00000    0.21887   -0.11697
 37 Pt    0.00000   -0.32222   -0.04155
 38 Pt    0.00000   -0.00398   -0.01145
 39 O     0.00990    0.01155    0.01542
 40 O    -0.00990    0.01155    0.01542
 41 O     0.00000   -0.00131    0.00987
 42 O    -0.00000    0.03244   -0.01765
 43 Pt    0.00000   -0.00690    0.07999
 44 Pt    0.00000   -0.08824    0.01633
 45 O    -0.18921   -0.38432    0.16465
 46 O     0.18921   -0.38432    0.16465
 47 O     0.00000   -0.02299   -0.05760
 48 O    -0.00000    0.02228    1.17224
 49 Pt    0.00000   -0.02247   -0.37618
 50 Pt   -0.00000    0.02117   -0.43452
 51 O    -1.69055   -0.01393   -0.71771
 52 O     1.69055   -0.01393   -0.71771
 53 O     0.00000   -0.01136   -1.40540
 54 O     0.00000   -0.00197    1.77761
 55 Pt    0.00000   -0.01221    0.51739
 56 Pt   -0.00000    0.12285    0.65395
 57 O    -1.61399    0.01379    0.09133
 58 O     1.61399    0.01379    0.09133
 59 O     0.00000   -0.02125   -0.51664
 60 O     0.00000   -0.20944   -0.11570
 61 Pt   -0.00000    0.01373   -0.09357
 62 Pt   -0.00000    0.01730   -0.00703
 63 O    -0.01537   -0.00763    0.00280
 64 O     0.01537   -0.00763    0.00280
 65 O     0.00000    0.00030    0.00360
 66 O     0.00000   -0.01244   -0.00468
 67 Pt   -0.00000    0.00710    0.02542
 68 Pt   -0.00000    0.15310    0.01801
 69 O    -0.00997   -0.00039   -0.03083
 70 O     0.00997   -0.00039   -0.03083
 71 O    -0.00000    0.00827   -0.05305
 72 N     0.00000   -0.04251    0.21956
 73 N     0.00000   -0.03247    0.15347

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.402259   24.220527    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.322530   23.980712    ( 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  19:42:29  -3.39   +inf  -414.181159    3      1      
iter:   2  19:44:35  -3.72  -3.05  -414.539167    3      1      
iter:   3  19:46:43  -4.02  -2.32  -414.169676    3      1      
iter:   4  19:48:49  -4.77  -3.84  -414.170673    3      1      
iter:   5  19:50:56  -5.11  -4.13  -414.168964    2      1      
iter:   6  19:53:03  -5.29  -4.12  -414.169635    3      1      
iter:   7  19:55:09  -5.71  -4.24  -414.169610    2      1      
iter:   8  19:57:16  -5.96  -4.52  -414.169624    2      1      
iter:   9  19:59:23  -6.07  -4.50  -414.169964    2      1      
iter:  10  20:01:28  -6.28  -3.76  -414.169558    2      1      
iter:  11  20:03:34  -6.53  -4.74  -414.169618    2      1      
iter:  12  20:05:42  -7.00  -4.95  -414.169522    2      1      
iter:  13  20:07:49  -7.53  -5.02  -414.169683    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962856, -32.542398, 0.035396) |e|*Ang

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

Kinetic:        +18.533652
Potential:     -137.255393
External:        +0.000000
XC:            -305.162734
Entropy (-ST):   -1.565605
Local:          +10.497595
--------------------------
Free energy:   -414.952485
Extrapolated:  -414.169683

Fermi level: -6.50488

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57387    0.14799
  0   340     -6.55922    0.14058
  0   341     -6.55818    0.14004
  0   342     -6.52854    0.12419

  1   339     -6.47943    0.19410
  1   340     -6.43113    0.14379
  1   341     -6.39658    0.11241
  1   342     -6.38928    0.10640



Forces in eV/Ang:
  0 O     0.00000   -0.01739    1.17408
  1 Pt    0.00000   -0.00253   -0.37550
  2 Pt    0.00000   -0.01903   -0.43426
  3 O    -1.68390    0.00027   -0.71863
  4 O     1.68390    0.00027   -0.71863
  5 O     0.00000   -0.01166   -1.38695
  6 O     0.00000   -0.00265    1.76556
  7 Pt   -0.00000    0.01386    0.45025
  8 Pt    0.00000   -0.03992    0.75253
  9 O    -1.58056    0.00046    0.05116
 10 O     1.58056    0.00046    0.05116
 11 O     0.00000   -0.00888   -0.56677
 12 O    -0.00000    0.00937    0.13686
 13 Pt   -0.00000    0.28385   -0.03851
 14 Pt    0.00000   -0.01994    0.00847
 15 O    -0.00047    0.01032    0.00332
 16 O     0.00047    0.01032    0.00332
 17 O    -0.00000    0.01700   -1.06198
 18 O    -0.00000    0.00158    0.02535
 19 Pt    0.00000   -0.02360    0.12846
 20 Pt    0.00000   -0.05935    0.15935
 21 O    -0.21185    0.38457    0.22396
 22 O     0.21185    0.38457    0.22396
 23 O     0.00000   -0.01588   -0.08739
 24 O     0.00000   -0.00101    1.15002
 25 Pt   -0.00000    0.01692   -0.37858
 26 Pt    0.00000   -0.00021   -0.43474
 27 O    -1.69249    0.01335   -0.71792
 28 O     1.69249    0.01335   -0.71792
 29 O    -0.00000    0.04585   -1.38838
 30 O     0.00000   -0.00453    1.83146
 31 Pt   -0.00000    0.01922    0.50986
 32 Pt    0.00000   -0.14157    0.57681
 33 O    -1.61375   -0.01896    0.07022
 34 O     1.61375   -0.01896    0.07022
 35 O     0.00000   -0.03240   -0.52565
 36 O    -0.00000    0.21849   -0.11703
 37 Pt    0.00000   -0.32132   -0.04169
 38 Pt    0.00000   -0.00402   -0.01103
 39 O     0.01036    0.01148    0.01538
 40 O    -0.01036    0.01148    0.01538
 41 O     0.00000   -0.00153    0.00976
 42 O    -0.00000    0.03262   -0.01751
 43 Pt    0.00000   -0.00711    0.07995
 44 Pt    0.00000   -0.08695    0.01605
 45 O    -0.18712   -0.38312    0.16169
 46 O     0.18712   -0.38312    0.16169
 47 O     0.00000   -0.02291   -0.05670
 48 O    -0.00000    0.02227    1.17200
 49 Pt    0.00000   -0.02247   -0.37757
 50 Pt   -0.00000    0.02115   -0.43603
 51 O    -1.69175   -0.01394   -0.71816
 52 O     1.69175   -0.01394   -0.71816
 53 O     0.00000   -0.01142   -1.40561
 54 O     0.00000   -0.00206    1.77385
 55 Pt    0.00000   -0.01219    0.51572
 56 Pt   -0.00000    0.12291    0.65258
 57 O    -1.61368    0.01379    0.09107
 58 O     1.61368    0.01379    0.09107
 59 O     0.00000   -0.02127   -0.51706
 60 O     0.00000   -0.20900   -0.11589
 61 Pt   -0.00000    0.01377   -0.09344
 62 Pt   -0.00000    0.01743   -0.00670
 63 O    -0.01477   -0.00757    0.00279
 64 O     0.01477   -0.00757    0.00279
 65 O     0.00000    0.00026    0.00364
 66 O     0.00000   -0.01255   -0.00461
 67 Pt   -0.00000    0.00700    0.02718
 68 Pt   -0.00000    0.15297    0.02097
 69 O    -0.00989   -0.00031   -0.02953
 70 O     0.00989   -0.00031   -0.02953
 71 O    -0.00000    0.00832   -0.05187
 72 N     0.00000   -0.15188    0.22030
 73 N    -0.00000    0.01034    0.19740

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.409311   24.215840    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.329879   23.971958    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:23:32  -3.46   +inf  -414.163982    3      1      
iter:   2  20:25:39  -4.26  -3.41  -414.181690    3      1      
iter:   3  20:27:46  -4.62  -3.22  -414.173152    3      1      
iter:   4  20:29:54  -5.13  -3.20  -414.166927    3      1      
iter:   5  20:32:01  -5.16  -4.30  -414.166786    3      1      
iter:   6  20:34:09  -5.38  -4.31  -414.167081    3      1      
iter:   7  20:36:15  -5.87  -4.19  -414.166726    2      1      
iter:   8  20:38:22  -6.29  -4.52  -414.166930    2      1      
iter:   9  20:40:29  -6.47  -4.68  -414.166458    2      1      
iter:  10  20:42:35  -6.46  -4.21  -414.166706    2      1      
iter:  11  20:44:41  -6.98  -4.57  -414.166736    2      1      
iter:  12  20:46:48  -7.53  -5.05  -414.166723    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962833, -32.543254, 0.036135) |e|*Ang

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

Kinetic:        +18.444904
Potential:     -137.179480
External:        +0.000000
XC:            -305.149100
Entropy (-ST):   -1.565844
Local:          +10.499874
--------------------------
Free energy:   -414.949645
Extrapolated:  -414.166723

Fermi level: -6.50416

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57339    0.14811
  0   340     -6.55847    0.14056
  0   341     -6.55743    0.14002
  0   342     -6.52786    0.12422

  1   339     -6.47883    0.19422
  1   340     -6.43033    0.14372
  1   341     -6.39594    0.11248
  1   342     -6.38844    0.10630



Forces in eV/Ang:
  0 O     0.00000   -0.01738    1.17397
  1 Pt    0.00000   -0.00252   -0.37456
  2 Pt    0.00000   -0.01903   -0.43378
  3 O    -1.68332    0.00026   -0.71852
  4 O     1.68332    0.00026   -0.71852
  5 O     0.00000   -0.01168   -1.38635
  6 O     0.00000   -0.00265    1.76716
  7 Pt   -0.00000    0.01392    0.45137
  8 Pt    0.00000   -0.03988    0.75348
  9 O    -1.58096    0.00046    0.05148
 10 O     1.58096    0.00046    0.05148
 11 O     0.00000   -0.00888   -0.56601
 12 O    -0.00000    0.00934    0.13777
 13 Pt   -0.00000    0.28308   -0.03888
 14 Pt    0.00000   -0.01992    0.00804
 15 O    -0.00076    0.01046    0.00336
 16 O     0.00076    0.01046    0.00336
 17 O    -0.00000    0.01659   -1.06159
 18 O    -0.00000    0.00161    0.02553
 19 Pt    0.00000   -0.02359    0.12778
 20 Pt    0.00000   -0.05788    0.15801
 21 O    -0.21119    0.38369    0.22376
 22 O     0.21119    0.38369    0.22376
 23 O     0.00000   -0.01605   -0.08688
 24 O     0.00000   -0.00100    1.14991
 25 Pt   -0.00000    0.01691   -0.37765
 26 Pt    0.00000   -0.00018   -0.43425
 27 O    -1.69191    0.01336   -0.71779
 28 O     1.69191    0.01336   -0.71779
 29 O    -0.00000    0.04593   -1.38767
 30 O     0.00000   -0.00444    1.83289
 31 Pt   -0.00000    0.01916    0.51096
 32 Pt    0.00000   -0.14166    0.57743
 33 O    -1.61417   -0.01895    0.07055
 34 O     1.61417   -0.01895    0.07055
 35 O     0.00000   -0.03238   -0.52508
 36 O    -0.00000    0.21806   -0.11581
 37 Pt    0.00000   -0.32041   -0.04196
 38 Pt    0.00000   -0.00420   -0.01122
 39 O     0.01007    0.01131    0.01546
 40 O    -0.01007    0.01131    0.01546
 41 O     0.00000   -0.00182    0.00716
 42 O    -0.00000    0.03262   -0.01722
 43 Pt    0.00000   -0.00719    0.07801
 44 Pt    0.00000   -0.08589    0.01426
 45 O    -0.18492   -0.38162    0.15775
 46 O     0.18492   -0.38162    0.15775
 47 O     0.00000   -0.02268   -0.05612
 48 O    -0.00000    0.02226    1.17190
 49 Pt    0.00000   -0.02247   -0.37660
 50 Pt   -0.00000    0.02113   -0.43552
 51 O    -1.69118   -0.01395   -0.71800
 52 O     1.69118   -0.01395   -0.71800
 53 O     0.00000   -0.01148   -1.40495
 54 O     0.00000   -0.00217    1.77527
 55 Pt    0.00000   -0.01220    0.51667
 56 Pt   -0.00000    0.12295    0.65331
 57 O    -1.61410    0.01380    0.09140
 58 O     1.61410    0.01380    0.09140
 59 O     0.00000   -0.02130   -0.51647
 60 O     0.00000   -0.20856   -0.11480
 61 Pt   -0.00000    0.01377   -0.09335
 62 Pt   -0.00000    0.01759   -0.00693
 63 O    -0.01486   -0.00755    0.00289
 64 O     0.01486   -0.00755    0.00289
 65 O     0.00000    0.00027    0.00155
 66 O     0.00000   -0.01258   -0.00431
 67 Pt   -0.00000    0.00703    0.02682
 68 Pt   -0.00000    0.15260    0.02085
 69 O    -0.00940   -0.00020   -0.02959
 70 O     0.00940   -0.00020   -0.02959
 71 O    -0.00000    0.00821   -0.05131
 72 N     0.00000   -0.26032    0.21967
 73 N    -0.00000    0.09016    0.14855

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.415850   24.211688    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.336963   23.963433    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:03:44  -3.50   +inf  -414.167255    3      1      
iter:   2  21:05:53  -4.26  -3.51  -414.200156    3      1      
iter:   3  21:07:59  -4.62  -2.80  -414.163807    3      1      
iter:   4  21:10:08  -5.17  -4.06  -414.165116    3      1      
iter:   5  21:12:14  -5.20  -4.07  -414.163989    2      1      
iter:   6  21:14:16  -5.44  -4.24  -414.164387    3      1      
iter:   7  21:16:22  -5.87  -4.32  -414.164089    2      1      
iter:   8  21:18:30  -6.25  -4.75  -414.164344    2      1      
iter:   9  21:20:37  -6.48  -4.16  -414.164085    2      1      
iter:  10  21:22:43  -6.46  -4.26  -414.164022    2      1      
iter:  11  21:24:51  -7.00  -4.88  -414.164134    2      1      
iter:  12  21:26:57  -7.51  -4.95  -414.164073    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962805, -32.544123, 0.036591) |e|*Ang

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

Kinetic:        +18.390987
Potential:     -137.132549
External:        +0.000000
XC:            -305.141384
Entropy (-ST):   -1.565786
Local:          +10.501765
--------------------------
Free energy:   -414.946967
Extrapolated:  -414.164073

Fermi level: -6.50371

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57299    0.14813
  0   340     -6.55806    0.14058
  0   341     -6.55701    0.14004
  0   342     -6.52735    0.12418

  1   339     -6.47840    0.19426
  1   340     -6.42991    0.14376
  1   341     -6.39551    0.11250
  1   342     -6.38777    0.10613



Forces in eV/Ang:
  0 O     0.00000   -0.01738    1.17391
  1 Pt    0.00000   -0.00250   -0.37449
  2 Pt    0.00000   -0.01904   -0.43376
  3 O    -1.68312    0.00025   -0.71843
  4 O     1.68312    0.00025   -0.71843
  5 O     0.00000   -0.01169   -1.38639
  6 O     0.00000   -0.00265    1.76785
  7 Pt   -0.00000    0.01394    0.45167
  8 Pt    0.00000   -0.03986    0.75367
  9 O    -1.58097    0.00046    0.05165
 10 O     1.58097    0.00046    0.05165
 11 O     0.00000   -0.00889   -0.56573
 12 O    -0.00000    0.00930    0.13799
 13 Pt   -0.00000    0.28232   -0.03858
 14 Pt    0.00000   -0.01990    0.00830
 15 O    -0.00085    0.01047    0.00344
 16 O     0.00085    0.01047    0.00344
 17 O    -0.00000    0.01615   -1.05806
 18 O    -0.00000    0.00168    0.02572
 19 Pt    0.00000   -0.02349    0.12753
 20 Pt    0.00000   -0.05604    0.15772
 21 O    -0.21113    0.38321    0.22343
 22 O     0.21113    0.38321    0.22343
 23 O     0.00000   -0.01617   -0.08707
 24 O     0.00000   -0.00101    1.14986
 25 Pt   -0.00000    0.01688   -0.37759
 26 Pt    0.00000   -0.00017   -0.43423
 27 O    -1.69171    0.01338   -0.71770
 28 O     1.69171    0.01338   -0.71770
 29 O    -0.00000    0.04599   -1.38762
 30 O     0.00000   -0.00446    1.83348
 31 Pt   -0.00000    0.01914    0.51124
 32 Pt    0.00000   -0.14181    0.57744
 33 O    -1.61419   -0.01896    0.07072
 34 O     1.61419   -0.01896    0.07072
 35 O     0.00000   -0.03239   -0.52479
 36 O    -0.00000    0.21767   -0.11532
 37 Pt    0.00000   -0.31947   -0.04157
 38 Pt    0.00000   -0.00426   -0.01094
 39 O     0.00996    0.01130    0.01556
 40 O    -0.00996    0.01130    0.01556
 41 O     0.00000   -0.00207    0.00796
 42 O    -0.00000    0.03252   -0.01693
 43 Pt    0.00000   -0.00739    0.07673
 44 Pt    0.00000   -0.08530    0.01336
 45 O    -0.18366   -0.38052    0.15445
 46 O     0.18366   -0.38052    0.15445
 47 O     0.00000   -0.02258   -0.05613
 48 O    -0.00000    0.02227    1.17184
 49 Pt    0.00000   -0.02246   -0.37651
 50 Pt   -0.00000    0.02112   -0.43549
 51 O    -1.69098   -0.01395   -0.71794
 52 O     1.69098   -0.01395   -0.71794
 53 O     0.00000   -0.01152   -1.40494
 54 O     0.00000   -0.00215    1.77584
 55 Pt    0.00000   -0.01220    0.51698
 56 Pt   -0.00000    0.12306    0.65337
 57 O    -1.61410    0.01380    0.09157
 58 O     1.61410    0.01380    0.09157
 59 O     0.00000   -0.02128   -0.51618
 60 O     0.00000   -0.20819   -0.11442
 61 Pt   -0.00000    0.01376   -0.09280
 62 Pt   -0.00000    0.01763   -0.00668
 63 O    -0.01492   -0.00754    0.00301
 64 O     0.01492   -0.00754    0.00301
 65 O     0.00000    0.00028    0.00264
 66 O     0.00000   -0.01257   -0.00401
 67 Pt   -0.00000    0.00706    0.02685
 68 Pt   -0.00000    0.15247    0.02091
 69 O    -0.00956   -0.00011   -0.02984
 70 O     0.00956   -0.00011   -0.02984
 71 O    -0.00000    0.00822   -0.05127
 72 N     0.00000   -0.29169    0.19454
 73 N    -0.00000    0.13017    0.18778

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.421907   24.208751    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.344192   23.955090    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:42:19  -3.52   +inf  -414.164252    3      1      
iter:   2  21:44:26  -4.37  -3.86  -414.163694    3      1      
iter:   3  21:46:33  -4.84  -3.29  -414.161785    2      1      
iter:   4  21:48:41  -5.24  -3.86  -414.162876    3      1      
iter:   5  21:50:48  -5.24  -4.02  -414.162078    2      1      
iter:   6  21:52:54  -5.41  -4.37  -414.162190    2      1      
iter:   7  21:55:01  -5.87  -4.40  -414.162029    2      1      
iter:   8  21:57:04  -6.29  -4.54  -414.162323    2      1      
iter:   9  21:59:11  -6.39  -4.45  -414.162057    2      1      
iter:  10  22:01:18  -6.50  -4.49  -414.161964    2      1      
iter:  11  22:03:25  -7.03  -4.64  -414.162132    2      1      
iter:  12  22:05:32  -7.58  -4.90  -414.162080    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962794, -32.545086, 0.036966) |e|*Ang

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

Kinetic:        +18.405928
Potential:     -137.141734
External:        +0.000000
XC:            -305.146137
Entropy (-ST):   -1.565684
Local:          +10.502705
--------------------------
Free energy:   -414.944922
Extrapolated:  -414.162080

Fermi level: -6.50331

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57263    0.14815
  0   340     -6.55773    0.14062
  0   341     -6.55669    0.14008
  0   342     -6.52689    0.12415

  1   339     -6.47803    0.19428
  1   340     -6.42957    0.14381
  1   341     -6.39514    0.11252
  1   342     -6.38718    0.10597



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17394
  1 Pt    0.00000   -0.00249   -0.37462
  2 Pt    0.00000   -0.01904   -0.43397
  3 O    -1.68297    0.00025   -0.71857
  4 O     1.68297    0.00025   -0.71857
  5 O     0.00000   -0.01170   -1.38668
  6 O     0.00000   -0.00265    1.76843
  7 Pt   -0.00000    0.01394    0.45166
  8 Pt    0.00000   -0.03985    0.75359
  9 O    -1.58092    0.00044    0.05155
 10 O     1.58092    0.00044    0.05155
 11 O     0.00000   -0.00889   -0.56594
 12 O    -0.00000    0.00927    0.13770
 13 Pt   -0.00000    0.28147   -0.03852
 14 Pt    0.00000   -0.01986    0.00850
 15 O    -0.00090    0.01050    0.00341
 16 O     0.00090    0.01050    0.00341
 17 O    -0.00000    0.01567   -1.05486
 18 O    -0.00000    0.00173    0.02550
 19 Pt    0.00000   -0.02341    0.12695
 20 Pt    0.00000   -0.05453    0.15478
 21 O    -0.21110    0.38269    0.22340
 22 O     0.21110    0.38269    0.22340
 23 O     0.00000   -0.01645   -0.08775
 24 O     0.00000   -0.00102    1.14991
 25 Pt   -0.00000    0.01686   -0.37774
 26 Pt    0.00000   -0.00017   -0.43440
 27 O    -1.69157    0.01337   -0.71784
 28 O     1.69157    0.01337   -0.71784
 29 O    -0.00000    0.04606   -1.38785
 30 O     0.00000   -0.00441    1.83402
 31 Pt   -0.00000    0.01914    0.51123
 32 Pt    0.00000   -0.14192    0.57716
 33 O    -1.61414   -0.01894    0.07061
 34 O     1.61414   -0.01894    0.07061
 35 O     0.00000   -0.03237   -0.52508
 36 O    -0.00000    0.21730   -0.11539
 37 Pt    0.00000   -0.31836   -0.04145
 38 Pt    0.00000   -0.00435   -0.01073
 39 O     0.00989    0.01126    0.01551
 40 O    -0.00989    0.01126    0.01551
 41 O     0.00000   -0.00232    0.00854
 42 O    -0.00000    0.03246   -0.01714
 43 Pt    0.00000   -0.00760    0.07478
 44 Pt    0.00000   -0.08422    0.01118
 45 O    -0.18237   -0.37933    0.15138
 46 O     0.18237   -0.37933    0.15138
 47 O     0.00000   -0.02233   -0.05649
 48 O    -0.00000    0.02227    1.17189
 49 Pt    0.00000   -0.02245   -0.37661
 50 Pt   -0.00000    0.02112   -0.43565
 51 O    -1.69084   -0.01395   -0.71806
 52 O     1.69084   -0.01395   -0.71806
 53 O     0.00000   -0.01158   -1.40518
 54 O     0.00000   -0.00220    1.77636
 55 Pt    0.00000   -0.01220    0.51689
 56 Pt   -0.00000    0.12315    0.65312
 57 O    -1.61405    0.01380    0.09143
 58 O     1.61405    0.01380    0.09143
 59 O     0.00000   -0.02129   -0.51650
 60 O     0.00000   -0.20784   -0.11461
 61 Pt   -0.00000    0.01371   -0.09246
 62 Pt   -0.00000    0.01767   -0.00651
 63 O    -0.01492   -0.00755    0.00289
 64 O     0.01492   -0.00755    0.00289
 65 O     0.00000    0.00024    0.00369
 66 O     0.00000   -0.01255   -0.00416
 67 Pt   -0.00000    0.00712    0.02675
 68 Pt   -0.00000    0.15233    0.02055
 69 O    -0.00978   -0.00004   -0.02976
 70 O     0.00978   -0.00004   -0.02976
 71 O    -0.00000    0.00818   -0.05147
 72 N     0.00000   -0.26507    0.20843
 73 N    -0.00000    0.17886    0.19084

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.428680   24.207093    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.351482   23.948306    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:17:56  -3.56   +inf  -414.164160    3      1      
iter:   2  22:20:03  -4.00  -3.22  -414.329819    3      1      
iter:   3  22:22:09  -4.27  -2.50  -414.162223    2      1      
iter:   4  22:24:15  -4.96  -3.96  -414.160266    3      1      
iter:   5  22:26:23  -5.11  -4.08  -414.160621    3      1      
iter:   6  22:28:30  -5.37  -4.32  -414.160821    2      1      
iter:   7  22:30:37  -5.83  -4.22  -414.160626    2      1      
iter:   8  22:32:44  -6.29  -4.76  -414.160687    2      1      
iter:   9  22:34:50  -6.38  -4.67  -414.160435    2      1      
iter:  10  22:36:57  -6.57  -4.69  -414.160866    2      1      
iter:  11  22:39:04  -6.89  -4.62  -414.160576    2      1      
iter:  12  22:41:11  -7.46  -5.01  -414.160608    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962831, -32.545934, 0.037681) |e|*Ang

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

Kinetic:        +18.268848
Potential:     -137.023022
External:        +0.000000
XC:            -305.125709
Entropy (-ST):   -1.565732
Local:          +10.502141
--------------------------
Free energy:   -414.943474
Extrapolated:  -414.160608

Fermi level: -6.50303

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57266    0.14831
  0   340     -6.55731    0.14055
  0   341     -6.55623    0.13999
  0   342     -6.52668    0.12419

  1   339     -6.47768    0.19421
  1   340     -6.42917    0.14369
  1   341     -6.39486    0.11253
  1   342     -6.38678    0.10588



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17397
  1 Pt    0.00000   -0.00247   -0.37491
  2 Pt    0.00000   -0.01903   -0.43397
  3 O    -1.68377    0.00024   -0.71858
  4 O     1.68377    0.00024   -0.71858
  5 O     0.00000   -0.01169   -1.38660
  6 O     0.00000   -0.00263    1.76585
  7 Pt   -0.00000    0.01395    0.45023
  8 Pt    0.00000   -0.03982    0.75232
  9 O    -1.58102    0.00048    0.05102
 10 O     1.58102    0.00048    0.05102
 11 O     0.00000   -0.00889   -0.56709
 12 O    -0.00000    0.00920    0.13659
 13 Pt   -0.00000    0.28091   -0.03987
 14 Pt    0.00000   -0.01989    0.00753
 15 O    -0.00071    0.01034    0.00303
 16 O     0.00071    0.01034    0.00303
 17 O    -0.00000    0.01506   -1.05344
 18 O    -0.00000    0.00179    0.02509
 19 Pt    0.00000   -0.02356    0.12646
 20 Pt    0.00000   -0.05123    0.15983
 21 O    -0.21060    0.38218    0.22370
 22 O     0.21060    0.38218    0.22370
 23 O     0.00000   -0.01611   -0.08604
 24 O     0.00000   -0.00101    1.14994
 25 Pt   -0.00000    0.01683   -0.37802
 26 Pt    0.00000   -0.00017   -0.43447
 27 O    -1.69237    0.01338   -0.71785
 28 O     1.69237    0.01338   -0.71785
 29 O    -0.00000    0.04607   -1.38782
 30 O     0.00000   -0.00454    1.83136
 31 Pt   -0.00000    0.01912    0.50976
 32 Pt    0.00000   -0.14215    0.57587
 33 O    -1.61425   -0.01897    0.07007
 34 O     1.61425   -0.01897    0.07007
 35 O     0.00000   -0.03238   -0.52613
 36 O    -0.00000    0.21696   -0.11608
 37 Pt    0.00000   -0.31748   -0.04265
 38 Pt    0.00000   -0.00409   -0.01149
 39 O     0.01009    0.01141    0.01511
 40 O    -0.01009    0.01141    0.01511
 41 O     0.00000   -0.00245    0.00457
 42 O    -0.00000    0.03243   -0.01746
 43 Pt    0.00000   -0.00767    0.07474
 44 Pt    0.00000   -0.08463    0.01331
 45 O    -0.18136   -0.37830    0.15045
 46 O     0.18136   -0.37830    0.15045
 47 O     0.00000   -0.02265   -0.05504
 48 O    -0.00000    0.02226    1.17191
 49 Pt    0.00000   -0.02245   -0.37698
 50 Pt   -0.00000    0.02112   -0.43571
 51 O    -1.69165   -0.01395   -0.71811
 52 O     1.69165   -0.01395   -0.71811
 53 O     0.00000   -0.01159   -1.40518
 54 O     0.00000   -0.00209    1.77372
 55 Pt    0.00000   -0.01219    0.51554
 56 Pt   -0.00000    0.12332    0.65191
 57 O    -1.61410    0.01379    0.09099
 58 O     1.61410    0.01379    0.09099
 59 O     0.00000   -0.02128   -0.51752
 60 O     0.00000   -0.20747   -0.11533
 61 Pt   -0.00000    0.01361   -0.09378
 62 Pt   -0.00000    0.01744   -0.00741
 63 O    -0.01488   -0.00751    0.00251
 64 O     0.01488   -0.00751    0.00251
 65 O     0.00000    0.00020   -0.00056
 66 O     0.00000   -0.01259   -0.00447
 67 Pt   -0.00000    0.00722    0.02608
 68 Pt   -0.00000    0.15228    0.02047
 69 O    -0.00899   -0.00000   -0.02960
 70 O     0.00899   -0.00000   -0.02960
 71 O    -0.00000    0.00817   -0.05066
 72 N     0.00000   -0.34214    0.21081
 73 N    -0.00000    0.28609    0.24690

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.435293   24.205984    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.359157   23.942929    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:57:05  -3.59   +inf  -414.178324    3      1      
iter:   2  22:59:12  -3.65  -2.99  -414.648731    3      1      
iter:   3  23:01:18  -3.93  -2.26  -414.159890    3      1      
iter:   4  23:03:25  -4.76  -3.91  -414.160723    3      1      
iter:   5  23:05:33  -5.15  -4.14  -414.158887    2      1      
iter:   6  23:07:39  -5.27  -4.08  -414.159223    3      1      
iter:   7  23:09:47  -5.71  -4.29  -414.159678    2      1      
iter:   8  23:11:52  -6.03  -4.64  -414.159512    2      1      
iter:   9  23:14:00  -6.35  -4.21  -414.159631    2      1      
iter:  10  23:16:06  -6.68  -4.48  -414.159844    2      1      
iter:  11  23:18:13  -6.64  -4.58  -414.159275    2      1      
iter:  12  23:20:21  -6.83  -4.56  -414.159583    2      1      
iter:  13  23:22:27  -7.36  -5.07  -414.159557    2      1      
iter:  14  23:24:34  -7.18  -5.21  -414.159615    2      1      
iter:  15  23:26:42  -7.57  -4.68  -414.159543    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962769, -32.546549, 0.038389) |e|*Ang

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

Kinetic:        +18.304693
Potential:     -137.050730
External:        +0.000000
XC:            -305.132493
Entropy (-ST):   -1.565670
Local:          +10.501821
--------------------------
Free energy:   -414.942378
Extrapolated:  -414.159543

Fermi level: -6.50262

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57249    0.14842
  0   340     -6.55677    0.14048
  0   341     -6.55566    0.13991
  0   342     -6.52631    0.12421

  1   339     -6.47720    0.19413
  1   340     -6.42868    0.14361
  1   341     -6.39443    0.11250
  1   342     -6.38628    0.10580



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17431
  1 Pt    0.00000   -0.00247   -0.37482
  2 Pt    0.00000   -0.01903   -0.43391
  3 O    -1.68452    0.00024   -0.71842
  4 O     1.68452    0.00024   -0.71842
  5 O     0.00000   -0.01170   -1.38601
  6 O     0.00000   -0.00265    1.76298
  7 Pt   -0.00000    0.01393    0.44979
  8 Pt    0.00000   -0.03983    0.75222
  9 O    -1.58110    0.00050    0.05111
 10 O     1.58110    0.00050    0.05111
 11 O     0.00000   -0.00890   -0.56606
 12 O    -0.00000    0.00925    0.13773
 13 Pt   -0.00000    0.28039   -0.03996
 14 Pt    0.00000   -0.01985    0.00734
 15 O    -0.00060    0.01026    0.00310
 16 O     0.00060    0.01026    0.00310
 17 O    -0.00000    0.01457   -1.05274
 18 O    -0.00000    0.00184    0.02619
 19 Pt    0.00000   -0.02360    0.12596
 20 Pt    0.00000   -0.04942    0.15844
 21 O    -0.21038    0.38191    0.22377
 22 O     0.21038    0.38191    0.22377
 23 O     0.00000   -0.01638   -0.08727
 24 O     0.00000   -0.00101    1.15027
 25 Pt   -0.00000    0.01682   -0.37795
 26 Pt    0.00000   -0.00018   -0.43441
 27 O    -1.69312    0.01339   -0.71769
 28 O     1.69312    0.01339   -0.71769
 29 O    -0.00000    0.04607   -1.38731
 30 O     0.00000   -0.00459    1.82856
 31 Pt   -0.00000    0.01914    0.50934
 32 Pt    0.00000   -0.14228    0.57566
 33 O    -1.61434   -0.01899    0.07019
 34 O     1.61434   -0.01899    0.07019
 35 O     0.00000   -0.03242   -0.52495
 36 O    -0.00000    0.21679   -0.11488
 37 Pt    0.00000   -0.31677   -0.04275
 38 Pt    0.00000   -0.00401   -0.01170
 39 O     0.01018    0.01149    0.01515
 40 O    -0.01018    0.01149    0.01515
 41 O     0.00000   -0.00264    0.00276
 42 O    -0.00000    0.03233   -0.01636
 43 Pt    0.00000   -0.00776    0.07317
 44 Pt    0.00000   -0.08387    0.01127
 45 O    -0.18055   -0.37762    0.14854
 46 O     0.18055   -0.37762    0.14854
 47 O     0.00000   -0.02236   -0.05594
 48 O    -0.00000    0.02225    1.17225
 49 Pt    0.00000   -0.02244   -0.37693
 50 Pt   -0.00000    0.02112   -0.43564
 51 O    -1.69239   -0.01395   -0.71795
 52 O     1.69239   -0.01395   -0.71795
 53 O     0.00000   -0.01156   -1.40466
 54 O     0.00000   -0.00201    1.77091
 55 Pt    0.00000   -0.01219    0.51519
 56 Pt   -0.00000    0.12344    0.65172
 57 O    -1.61417    0.01380    0.09114
 58 O     1.61417    0.01380    0.09114
 59 O     0.00000   -0.02122   -0.51635
 60 O     0.00000   -0.20741   -0.11420
 61 Pt   -0.00000    0.01363   -0.09372
 62 Pt   -0.00000    0.01731   -0.00755
 63 O    -0.01487   -0.00751    0.00269
 64 O     0.01487   -0.00751    0.00269
 65 O     0.00000    0.00015   -0.00201
 66 O     0.00000   -0.01254   -0.00328
 67 Pt   -0.00000    0.00728    0.02584
 68 Pt   -0.00000    0.15212    0.01988
 69 O    -0.00880    0.00001   -0.02978
 70 O     0.00880    0.00001   -0.02978
 71 O    -0.00000    0.00810   -0.05120
 72 N     0.00000   -0.33489    0.20690
 73 N    -0.00000    0.27977    0.25349

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.442051   24.204747    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.366681   23.938268    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:32:14  -3.59   +inf  -414.232065    3      1      
iter:   2  23:34:21  -3.07  -2.68  -416.223799    3      1      
iter:   3  23:36:28  -3.39  -1.96  -414.164046    3      1      
iter:   4  23:38:34  -4.12  -3.35  -414.161439    3      1      
iter:   5  23:40:41  -4.59  -3.79  -414.158574    3      1      
iter:   6  23:42:43  -4.96  -3.90  -414.158500    3      1      
iter:   7  23:44:50  -5.29  -4.29  -414.158255    2      1      
iter:   8  23:46:56  -5.81  -4.26  -414.158567    2      1      
iter:   9  23:49:03  -6.29  -4.65  -414.158583    2      1      
iter:  10  23:51:10  -6.66  -4.62  -414.158234    2      1      
iter:  11  23:53:16  -6.78  -4.39  -414.158863    2      1      
iter:  12  23:55:24  -6.86  -4.45  -414.158496    2      1      
iter:  13  23:57:30  -7.19  -4.83  -414.158519    2      1      
iter:  14  23:59:35  -7.42  -4.87  -414.158522    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962737, -32.547091, 0.038250) |e|*Ang

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

Kinetic:        +18.283819
Potential:     -137.028866
External:        +0.000000
XC:            -305.131888
Entropy (-ST):   -1.565600
Local:          +10.501214
--------------------------
Free energy:   -414.941322
Extrapolated:  -414.158522

Fermi level: -6.50254

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57221    0.14832
  0   340     -6.55684    0.14056
  0   341     -6.55576    0.14000
  0   342     -6.52613    0.12415

  1   339     -6.47722    0.19423
  1   340     -6.42873    0.14374
  1   341     -6.39437    0.11252
  1   342     -6.38603    0.10566



Forces in eV/Ang:
  0 O     0.00000   -0.01735    1.17398
  1 Pt    0.00000   -0.00246   -0.37495
  2 Pt    0.00000   -0.01903   -0.43425
  3 O    -1.68356    0.00025   -0.71864
  4 O     1.68356    0.00025   -0.71864
  5 O     0.00000   -0.01173   -1.38593
  6 O     0.00000   -0.00263    1.76639
  7 Pt   -0.00000    0.01392    0.45091
  8 Pt    0.00000   -0.03981    0.75316
  9 O    -1.58081    0.00050    0.05150
 10 O     1.58081    0.00050    0.05150
 11 O     0.00000   -0.00890   -0.56545
 12 O    -0.00000    0.00920    0.13791
 13 Pt   -0.00000    0.27991   -0.03863
 14 Pt    0.00000   -0.01985    0.00809
 15 O    -0.00061    0.01027    0.00340
 16 O     0.00061    0.01027    0.00340
 17 O    -0.00000    0.01409   -1.04849
 18 O    -0.00000    0.00189    0.02624
 19 Pt    0.00000   -0.02332    0.12646
 20 Pt    0.00000   -0.04759    0.15942
 21 O    -0.21059    0.38184    0.22453
 22 O     0.21059    0.38184    0.22453
 23 O     0.00000   -0.01640   -0.08721
 24 O     0.00000   -0.00101    1.14994
 25 Pt   -0.00000    0.01681   -0.37808
 26 Pt    0.00000   -0.00018   -0.43472
 27 O    -1.69215    0.01339   -0.71791
 28 O     1.69215    0.01339   -0.71791
 29 O    -0.00000    0.04609   -1.38717
 30 O     0.00000   -0.00458    1.83201
 31 Pt   -0.00000    0.01916    0.51046
 32 Pt    0.00000   -0.14237    0.57651
 33 O    -1.61405   -0.01900    0.07058
 34 O     1.61405   -0.01900    0.07058
 35 O     0.00000   -0.03240   -0.52434
 36 O    -0.00000    0.21651   -0.11446
 37 Pt    0.00000   -0.31608   -0.04138
 38 Pt    0.00000   -0.00406   -0.01108
 39 O     0.01017    0.01146    0.01546
 40 O    -0.01017    0.01146    0.01546
 41 O     0.00000   -0.00273    0.00602
 42 O    -0.00000    0.03220   -0.01645
 43 Pt    0.00000   -0.00819    0.07320
 44 Pt    0.00000   -0.08342    0.01129
 45 O    -0.18004   -0.37716    0.14758
 46 O     0.18004   -0.37716    0.14758
 47 O     0.00000   -0.02242   -0.05572
 48 O    -0.00000    0.02224    1.17191
 49 Pt    0.00000   -0.02244   -0.37706
 50 Pt   -0.00000    0.02112   -0.43596
 51 O    -1.69143   -0.01396   -0.71817
 52 O     1.69143   -0.01396   -0.71817
 53 O     0.00000   -0.01155   -1.40455
 54 O     0.00000   -0.00205    1.77434
 55 Pt    0.00000   -0.01220    0.51632
 56 Pt   -0.00000    0.12349    0.65262
 57 O    -1.61385    0.01380    0.09153
 58 O     1.61385    0.01380    0.09153
 59 O     0.00000   -0.02124   -0.51572
 60 O     0.00000   -0.20712   -0.11382
 61 Pt   -0.00000    0.01362   -0.09219
 62 Pt   -0.00000    0.01736   -0.00698
 63 O    -0.01483   -0.00749    0.00289
 64 O     0.01483   -0.00749    0.00289
 65 O     0.00000    0.00008    0.00131
 66 O     0.00000   -0.01242   -0.00332
 67 Pt   -0.00000    0.00736    0.02631
 68 Pt   -0.00000    0.15216    0.02035
 69 O    -0.00940    0.00004   -0.02938
 70 O     0.00940    0.00004   -0.02938
 71 O    -0.00000    0.00817   -0.05114
 72 N     0.00000   -0.33402    0.19076
 73 N    -0.00000    0.29707    0.25564

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.449014   24.203319    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.374408   23.934706    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:13:21  -3.64   +inf  -414.167859    3      1      
iter:   2  00:15:29  -3.88  -3.12  -414.425364    3      1      
iter:   3  00:17:36  -4.10  -2.38  -414.158070    3      1      
iter:   4  00:19:44  -4.95  -4.13  -414.158105    2      1      
iter:   5  00:21:50  -5.10  -4.32  -414.156214    2      1      
iter:   6  00:23:57  -5.38  -4.06  -414.157401    3      1      
iter:   7  00:25:59  -6.01  -4.35  -414.157585    2      1      
iter:   8  00:28:05  -6.41  -4.76  -414.157493    2      1      
iter:   9  00:30:12  -6.43  -4.72  -414.157684    2      1      
iter:  10  00:32:18  -6.73  -4.13  -414.157697    2      1      
iter:  11  00:34:26  -6.83  -4.63  -414.157315    2      1      
iter:  12  00:36:33  -7.06  -4.64  -414.157537    2      1      
iter:  13  00:38:39  -7.48  -5.05  -414.157532    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962757, -32.547406, 0.038253) |e|*Ang

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

Kinetic:        +18.351679
Potential:     -137.083009
External:        +0.000000
XC:            -305.144939
Entropy (-ST):   -1.565572
Local:          +10.501523
--------------------------
Free energy:   -414.940318
Extrapolated:  -414.157532

Fermi level: -6.50228

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57190    0.14830
  0   340     -6.55667    0.14060
  0   341     -6.55560    0.14005
  0   342     -6.52584    0.12414

  1   339     -6.47703    0.19431
  1   340     -6.42853    0.14380
  1   341     -6.39415    0.11256
  1   342     -6.38569    0.10559



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17406
  1 Pt    0.00000   -0.00245   -0.37443
  2 Pt    0.00000   -0.01903   -0.43369
  3 O    -1.68321    0.00026   -0.71852
  4 O     1.68321    0.00026   -0.71852
  5 O     0.00000   -0.01172   -1.38618
  6 O     0.00000   -0.00264    1.76794
  7 Pt   -0.00000    0.01395    0.45172
  8 Pt    0.00000   -0.03981    0.75363
  9 O    -1.58088    0.00049    0.05163
 10 O     1.58088    0.00049    0.05163
 11 O     0.00000   -0.00890   -0.56530
 12 O    -0.00000    0.00915    0.13833
 13 Pt   -0.00000    0.27962   -0.03824
 14 Pt    0.00000   -0.01982    0.00847
 15 O    -0.00086    0.01030    0.00362
 16 O     0.00086    0.01030    0.00362
 17 O    -0.00000    0.01375   -1.04650
 18 O    -0.00000    0.00191    0.02607
 19 Pt    0.00000   -0.02337    0.12647
 20 Pt    0.00000   -0.04665    0.15718
 21 O    -0.21096    0.38193    0.22423
 22 O     0.21096    0.38193    0.22423
 23 O     0.00000   -0.01665   -0.08784
 24 O     0.00000   -0.00102    1.15002
 25 Pt   -0.00000    0.01680   -0.37757
 26 Pt    0.00000   -0.00020   -0.43415
 27 O    -1.69181    0.01338   -0.71779
 28 O     1.69181    0.01338   -0.71779
 29 O    -0.00000    0.04613   -1.38738
 30 O     0.00000   -0.00455    1.83357
 31 Pt   -0.00000    0.01913    0.51126
 32 Pt    0.00000   -0.14239    0.57687
 33 O    -1.61413   -0.01898    0.07071
 34 O     1.61413   -0.01898    0.07071
 35 O     0.00000   -0.03241   -0.52427
 36 O    -0.00000    0.21637   -0.11400
 37 Pt    0.00000   -0.31562   -0.04096
 38 Pt    0.00000   -0.00411   -0.01049
 39 O     0.00992    0.01144    0.01571
 40 O    -0.00992    0.01144    0.01571
 41 O     0.00000   -0.00290    0.00709
 42 O    -0.00000    0.03227   -0.01654
 43 Pt    0.00000   -0.00823    0.07205
 44 Pt    0.00000   -0.08231    0.00876
 45 O    -0.17953   -0.37696    0.14496
 46 O     0.17953   -0.37696    0.14496
 47 O     0.00000   -0.02222   -0.05637
 48 O    -0.00000    0.02227    1.17200
 49 Pt    0.00000   -0.02245   -0.37652
 50 Pt   -0.00000    0.02114   -0.43538
 51 O    -1.69107   -0.01396   -0.71805
 52 O     1.69107   -0.01396   -0.71805
 53 O     0.00000   -0.01159   -1.40476
 54 O     0.00000   -0.00206    1.77593
 55 Pt    0.00000   -0.01220    0.51710
 56 Pt   -0.00000    0.12350    0.65299
 57 O    -1.61396    0.01380    0.09167
 58 O     1.61396    0.01380    0.09167
 59 O     0.00000   -0.02123   -0.51567
 60 O     0.00000   -0.20697   -0.11343
 61 Pt   -0.00000    0.01364   -0.09169
 62 Pt   -0.00000    0.01737   -0.00638
 63 O    -0.01500   -0.00751    0.00315
 64 O     0.01500   -0.00751    0.00315
 65 O     0.00000    0.00001    0.00271
 66 O     0.00000   -0.01251   -0.00340
 67 Pt   -0.00000    0.00741    0.02630
 68 Pt   -0.00000    0.15211    0.02023
 69 O    -0.00952    0.00010   -0.02977
 70 O     0.00952    0.00010   -0.02977
 71 O    -0.00000    0.00818   -0.05153
 72 N     0.00000   -0.34099    0.16869
 73 N    -0.00000    0.24817    0.26488

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.455994   24.201355    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.381880   23.931661    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:51:24  -3.67   +inf  -414.157138    2      1      
iter:   2  00:53:22  -4.60  -4.07  -414.156082    3      1      
iter:   3  00:55:28  -5.16  -3.58  -414.156368    2      1      
iter:   4  00:57:35  -5.51  -3.85  -414.157241    3      1      
iter:   5  00:59:41  -5.34  -3.99  -414.155830    2      1      
iter:   6  01:01:48  -5.63  -4.50  -414.156113    2      1      
iter:   7  01:03:55  -6.37  -4.76  -414.156060    2      1      
iter:   8  01:06:02  -6.57  -4.62  -414.156164    2      1      
iter:   9  01:08:08  -6.50  -4.92  -414.156084    2      1      
iter:  10  01:10:15  -6.94  -4.59  -414.156065    2      1      
iter:  11  01:12:23  -7.56  -4.82  -414.156164    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962756, -32.547589, 0.038265) |e|*Ang

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

Kinetic:        +18.408353
Potential:     -137.127621
External:        +0.000000
XC:            -305.156060
Entropy (-ST):   -1.565442
Local:          +10.501884
--------------------------
Free energy:   -414.938885
Extrapolated:  -414.156164

Fermi level: -6.50234

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57197    0.14830
  0   340     -6.55676    0.14062
  0   341     -6.55569    0.14007
  0   342     -6.52586    0.12412

  1   339     -6.47703    0.19425
  1   340     -6.42862    0.14383
  1   341     -6.39422    0.11257
  1   342     -6.38565    0.10552



Forces in eV/Ang:
  0 O     0.00000   -0.01736    1.17407
  1 Pt    0.00000   -0.00248   -0.37483
  2 Pt    0.00000   -0.01903   -0.43421
  3 O    -1.68328    0.00021   -0.71862
  4 O     1.68328    0.00021   -0.71862
  5 O     0.00000   -0.01171   -1.38660
  6 O     0.00000   -0.00263    1.76748
  7 Pt   -0.00000    0.01398    0.45122
  8 Pt    0.00000   -0.03981    0.75299
  9 O    -1.58083    0.00050    0.05140
 10 O     1.58083    0.00050    0.05140
 11 O     0.00000   -0.00890   -0.56593
 12 O    -0.00000    0.00910    0.13760
 13 Pt   -0.00000    0.27943   -0.03850
 14 Pt    0.00000   -0.01979    0.00849
 15 O    -0.00090    0.01037    0.00345
 16 O     0.00090    0.01037    0.00345
 17 O    -0.00000    0.01344   -1.04540
 18 O    -0.00000    0.00202    0.02547
 19 Pt    0.00000   -0.02341    0.12629
 20 Pt    0.00000   -0.04605    0.15451
 21 O    -0.21120    0.38197    0.22377
 22 O     0.21120    0.38197    0.22377
 23 O     0.00000   -0.01694   -0.08815
 24 O     0.00000   -0.00099    1.15006
 25 Pt   -0.00000    0.01683   -0.37797
 26 Pt    0.00000   -0.00013   -0.43473
 27 O    -1.69188    0.01342   -0.71788
 28 O     1.69188    0.01342   -0.71788
 29 O    -0.00000    0.04617   -1.38780
 30 O     0.00000   -0.00453    1.83273
 31 Pt   -0.00000    0.01909    0.51075
 32 Pt    0.00000   -0.14247    0.57614
 33 O    -1.61409   -0.01898    0.07046
 34 O     1.61409   -0.01898    0.07046
 35 O     0.00000   -0.03241   -0.52501
 36 O    -0.00000    0.21620   -0.11468
 37 Pt    0.00000   -0.31527   -0.04112
 38 Pt    0.00000   -0.00426   -0.01032
 39 O     0.00986    0.01135    0.01556
 40 O    -0.00986    0.01135    0.01556
 41 O     0.00000   -0.00318    0.00738
 42 O    -0.00000    0.03216   -0.01712
 43 Pt    0.00000   -0.00832    0.07056
 44 Pt    0.00000   -0.08100    0.00585
 45 O    -0.17850   -0.37675    0.14169
 46 O     0.17850   -0.37675    0.14169
 47 O     0.00000   -0.02187   -0.05654
 48 O    -0.00000    0.02223    1.17203
 49 Pt    0.00000   -0.02244   -0.37692
 50 Pt   -0.00000    0.02107   -0.43595
 51 O    -1.69117   -0.01395   -0.71814
 52 O     1.69117   -0.01395   -0.71814
 53 O     0.00000   -0.01163   -1.40520
 54 O     0.00000   -0.00209    1.77506
 55 Pt    0.00000   -0.01219    0.51652
 56 Pt   -0.00000    0.12356    0.65226
 57 O    -1.61386    0.01380    0.09138
 58 O     1.61386    0.01380    0.09138
 59 O     0.00000   -0.02123   -0.51641
 60 O     0.00000   -0.20676   -0.11421
 61 Pt   -0.00000    0.01366   -0.09184
 62 Pt   -0.00000    0.01748   -0.00632
 63 O    -0.01496   -0.00750    0.00295
 64 O     0.01496   -0.00750    0.00295
 65 O     0.00000    0.00009    0.00322
 66 O     0.00000   -0.01251   -0.00395
 67 Pt   -0.00000    0.00751    0.02616
 68 Pt   -0.00000    0.15195    0.01996
 69 O    -0.00965    0.00022   -0.03027
 70 O     0.00965    0.00022   -0.03027
 71 O    -0.00000    0.00807   -0.05164
 72 N     0.00000   -0.34823    0.16651
 73 N    -0.00000    0.21425    0.26543

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.466034   24.195606    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.393261   23.925580    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:29:20  -3.27   +inf  -414.157765    3      1      
iter:   2  01:31:26  -4.09  -3.46  -414.200942    3      1      
iter:   3  01:33:33  -4.50  -2.74  -414.154273    2      1      
iter:   4  01:35:41  -5.06  -4.00  -414.155424    3      1      
iter:   5  01:37:41  -5.08  -3.83  -414.152808    3      1      
iter:   6  01:39:49  -5.18  -3.93  -414.153982    2      1      
iter:   7  01:41:56  -5.86  -4.49  -414.153928    2      1      
iter:   8  01:44:02  -6.00  -4.31  -414.153889    2      1      
iter:   9  01:46:09  -5.97  -4.56  -414.153971    2      1      
iter:  10  01:48:15  -6.42  -4.36  -414.153994    2      1      
iter:  11  01:50:22  -6.95  -4.59  -414.153931    2      1      
iter:  12  01:52:29  -7.38  -4.94  -414.154035    2      1      
iter:  13  01:54:35  -7.47  -4.93  -414.153819    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962751, -32.547654, 0.038647) |e|*Ang

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

Kinetic:        +18.620937
Potential:     -137.290084
External:        +0.000000
XC:            -305.203259
Entropy (-ST):   -1.565794
Local:          +10.501483
--------------------------
Free energy:   -414.936716
Extrapolated:  -414.153819

Fermi level: -6.50167

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57149    0.14840
  0   340     -6.55601    0.14058
  0   341     -6.55493    0.14002
  0   342     -6.52527    0.12416

  1   339     -6.47657    0.19448
  1   340     -6.42783    0.14371
  1   341     -6.39360    0.11261
  1   342     -6.38493    0.10547



Forces in eV/Ang:
  0 O     0.00000   -0.01734    1.17415
  1 Pt    0.00000   -0.00244   -0.37375
  2 Pt    0.00000   -0.01901   -0.43301
  3 O    -1.68288    0.00029   -0.71849
  4 O     1.68288    0.00029   -0.71849
  5 O     0.00000   -0.01173   -1.38654
  6 O     0.00000   -0.00268    1.76846
  7 Pt   -0.00000    0.01384    0.45149
  8 Pt    0.00000   -0.03982    0.75361
  9 O    -1.58127    0.00035    0.05148
 10 O     1.58127    0.00035    0.05148
 11 O     0.00000   -0.00893   -0.56643
 12 O    -0.00000    0.00920    0.13828
 13 Pt   -0.00000    0.27928   -0.03966
 14 Pt    0.00000   -0.01977    0.00784
 15 O    -0.00084    0.01037    0.00323
 16 O     0.00084    0.01037    0.00323
 17 O    -0.00000    0.01280   -1.04912
 18 O    -0.00000    0.00179    0.02612
 19 Pt    0.00000   -0.02296    0.12443
 20 Pt    0.00000   -0.04309    0.15602
 21 O    -0.20986    0.38106    0.22462
 22 O     0.20986    0.38106    0.22462
 23 O     0.00000   -0.01650   -0.08844
 24 O     0.00000   -0.00107    1.15010
 25 Pt   -0.00000    0.01678   -0.37695
 26 Pt    0.00000   -0.00024   -0.43339
 27 O    -1.69150    0.01336   -0.71775
 28 O     1.69150    0.01336   -0.71775
 29 O    -0.00000    0.04620   -1.38763
 30 O     0.00000   -0.00446    1.83437
 31 Pt   -0.00000    0.01920    0.51104
 32 Pt    0.00000   -0.14237    0.57665
 33 O    -1.61451   -0.01889    0.07056
 34 O     1.61451   -0.01889    0.07056
 35 O     0.00000   -0.03237   -0.52538
 36 O    -0.00000    0.21609   -0.11439
 37 Pt    0.00000   -0.31499   -0.04241
 38 Pt    0.00000   -0.00431   -0.01140
 39 O     0.00994    0.01139    0.01522
 40 O    -0.00994    0.01139    0.01522
 41 O     0.00000   -0.00350    0.00420
 42 O    -0.00000    0.03217   -0.01651
 43 Pt    0.00000   -0.00867    0.06885
 44 Pt    0.00000   -0.08047    0.00535
 45 O    -0.17683   -0.37557    0.14099
 46 O     0.17683   -0.37557    0.14099
 47 O     0.00000   -0.02255   -0.05660
 48 O    -0.00000    0.02229    1.17208
 49 Pt    0.00000   -0.02244   -0.37577
 50 Pt   -0.00000    0.02117   -0.43455
 51 O    -1.69071   -0.01397   -0.71802
 52 O     1.69071   -0.01397   -0.71802
 53 O     0.00000   -0.01163   -1.40499
 54 O     0.00000   -0.00213    1.77682
 55 Pt    0.00000   -0.01216    0.51682
 56 Pt   -0.00000    0.12345    0.65274
 57 O    -1.61439    0.01386    0.09149
 58 O     1.61439    0.01386    0.09149
 59 O     0.00000   -0.02125   -0.51681
 60 O     0.00000   -0.20684   -0.11398
 61 Pt   -0.00000    0.01372   -0.09301
 62 Pt   -0.00000    0.01751   -0.00736
 63 O    -0.01499   -0.00754    0.00263
 64 O     0.01499   -0.00754    0.00263
 65 O     0.00000    0.00022    0.00018
 66 O     0.00000   -0.01224   -0.00342
 67 Pt   -0.00000    0.00731    0.02462
 68 Pt   -0.00000    0.15168    0.01902
 69 O    -0.00900    0.00012   -0.02958
 70 O     0.00900    0.00012   -0.02958
 71 O    -0.00000    0.00830   -0.05171
 72 N     0.00000   -0.13721    0.20535
 73 N    -0.00000    0.09544    0.17842

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.477571   24.191022    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.405299   23.919182    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:08:14  -3.22   +inf  -414.167857    3      1      
iter:   2  02:10:21  -3.85  -3.18  -414.274171    3      1      
iter:   3  02:12:28  -4.14  -2.53  -414.156073    3      1      
iter:   4  02:14:36  -4.67  -3.16  -414.152973    3      1      
iter:   5  02:16:42  -5.08  -4.12  -414.151460    2      1      
iter:   6  02:18:49  -5.08  -3.93  -414.151704    3      1      
iter:   7  02:20:49  -5.81  -4.31  -414.152103    2      1      
iter:   8  02:22:57  -6.01  -4.56  -414.151875    2      1      
iter:   9  02:25:04  -6.02  -4.57  -414.152016    2      1      
iter:  10  02:27:11  -6.32  -4.49  -414.151706    2      1      
iter:  11  02:29:19  -6.56  -4.12  -414.151871    2      1      
iter:  12  02:31:26  -7.14  -4.82  -414.151957    2      1      
iter:  13  02:33:32  -7.45  -5.03  -414.151804    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962741, -32.548263, 0.039008) |e|*Ang

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

Kinetic:        +18.630691
Potential:     -137.288699
External:        +0.000000
XC:            -305.209775
Entropy (-ST):   -1.565636
Local:          +10.498796
--------------------------
Free energy:   -414.934622
Extrapolated:  -414.151804

Fermi level: -6.50165

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57153    0.14843
  0   340     -6.55595    0.14056
  0   341     -6.55485    0.13999
  0   342     -6.52517    0.12412

  1   339     -6.47648    0.19440
  1   340     -6.42781    0.14372
  1   341     -6.39356    0.11260
  1   342     -6.38471    0.10532



Forces in eV/Ang:
  0 O     0.00000   -0.01734    1.17402
  1 Pt    0.00000   -0.00249   -0.37447
  2 Pt    0.00000   -0.01902   -0.43360
  3 O    -1.68359    0.00030   -0.71853
  4 O     1.68359    0.00030   -0.71853
  5 O     0.00000   -0.01174   -1.38689
  6 O     0.00000   -0.00267    1.76586
  7 Pt   -0.00000    0.01383    0.45040
  8 Pt    0.00000   -0.03979    0.75322
  9 O    -1.58109    0.00031    0.05124
 10 O     1.58109    0.00031    0.05124
 11 O     0.00000   -0.00892   -0.56641
 12 O    -0.00000    0.00916    0.13831
 13 Pt   -0.00000    0.27894   -0.03945
 14 Pt    0.00000   -0.01970    0.00814
 15 O    -0.00043    0.01042    0.00347
 16 O     0.00043    0.01042    0.00347
 17 O    -0.00000    0.01225   -1.04787
 18 O    -0.00000    0.00182    0.02623
 19 Pt    0.00000   -0.02276    0.12490
 20 Pt    0.00000   -0.04114    0.15480
 21 O    -0.21007    0.38071    0.22424
 22 O     0.21007    0.38071    0.22424
 23 O     0.00000   -0.01670   -0.08767
 24 O     0.00000   -0.00108    1.14999
 25 Pt   -0.00000    0.01681   -0.37766
 26 Pt    0.00000   -0.00026   -0.43390
 27 O    -1.69221    0.01333   -0.71780
 28 O     1.69221    0.01333   -0.71780
 29 O    -0.00000    0.04624   -1.38786
 30 O     0.00000   -0.00439    1.83196
 31 Pt   -0.00000    0.01924    0.50996
 32 Pt    0.00000   -0.14239    0.57602
 33 O    -1.61434   -0.01881    0.07032
 34 O     1.61434   -0.01881    0.07032
 35 O     0.00000   -0.03235   -0.52541
 36 O    -0.00000    0.21584   -0.11434
 37 Pt    0.00000   -0.31441   -0.04207
 38 Pt    0.00000   -0.00463   -0.01136
 39 O     0.01029    0.01134    0.01548
 40 O    -0.01029    0.01134    0.01548
 41 O     0.00000   -0.00400    0.00564
 42 O    -0.00000    0.03205   -0.01650
 43 Pt    0.00000   -0.00913    0.06832
 44 Pt    0.00000   -0.07935    0.00428
 45 O    -0.17548   -0.37464    0.13710
 46 O     0.17548   -0.37464    0.13710
 47 O     0.00000   -0.02263   -0.05566
 48 O    -0.00000    0.02229    1.17197
 49 Pt    0.00000   -0.02242   -0.37643
 50 Pt   -0.00000    0.02119   -0.43507
 51 O    -1.69138   -0.01396   -0.71805
 52 O     1.69138   -0.01396   -0.71805
 53 O     0.00000   -0.01166   -1.40525
 54 O     0.00000   -0.00221    1.77435
 55 Pt    0.00000   -0.01219    0.51569
 56 Pt   -0.00000    0.12341    0.65212
 57 O    -1.61423    0.01383    0.09125
 58 O     1.61423    0.01383    0.09125
 59 O     0.00000   -0.02127   -0.51689
 60 O     0.00000   -0.20658   -0.11395
 61 Pt   -0.00000    0.01377   -0.09250
 62 Pt   -0.00000    0.01776   -0.00731
 63 O    -0.01450   -0.00753    0.00280
 64 O     0.01450   -0.00753    0.00280
 65 O     0.00000    0.00036    0.00149
 66 O     0.00000   -0.01210   -0.00335
 67 Pt   -0.00000    0.00748    0.02520
 68 Pt   -0.00000    0.15156    0.01943
 69 O    -0.00956    0.00031   -0.03033
 70 O     0.00956    0.00031   -0.03033
 71 O    -0.00000    0.00854   -0.05113
 72 N     0.00000   -0.14189    0.25235
 73 N    -0.00000    0.08911    0.22325

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.489953   24.187088    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.418241   23.914191    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:49:32  -3.19   +inf  -414.173004    3      1      
iter:   2  02:51:39  -3.59  -2.99  -414.601876    3      1      
iter:   3  02:53:45  -3.86  -2.27  -414.150016    3      1      
iter:   4  02:55:52  -4.57  -3.43  -414.152304    3      1      
iter:   5  02:57:51  -5.12  -3.95  -414.149844    3      1      
iter:   6  02:59:58  -4.99  -4.00  -414.149863    3      1      
iter:   7  03:02:06  -5.68  -4.16  -414.150764    2      1      
iter:   8  03:04:12  -5.76  -4.35  -414.150366    2      1      
iter:   9  03:06:20  -6.10  -4.64  -414.150602    2      1      
iter:  10  03:08:26  -6.12  -3.81  -414.150985    2      1      
iter:  11  03:10:32  -6.29  -4.20  -414.149991    2      1      
iter:  12  03:12:39  -6.28  -4.36  -414.150296    2      1      
iter:  13  03:14:46  -6.58  -4.70  -414.150335    2      1      
iter:  14  03:16:53  -6.96  -4.88  -414.150395    2      1      
iter:  15  03:19:00  -7.20  -5.07  -414.150366    2      1      
iter:  16  03:21:07  -7.41  -4.92  -414.150300    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962745, -32.548451, 0.039770) |e|*Ang

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

Kinetic:        +18.659438
Potential:     -137.300956
External:        +0.000000
XC:            -305.222986
Entropy (-ST):   -1.565590
Local:          +10.496999
--------------------------
Free energy:   -414.933096
Extrapolated:  -414.150300

Fermi level: -6.50155

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57189    0.14865
  0   340     -6.55560    0.14043
  0   341     -6.55444    0.13983
  0   342     -6.52523    0.12421

  1   339     -6.47617    0.19418
  1   340     -6.42753    0.14354
  1   341     -6.39347    0.11261
  1   342     -6.38452    0.10525



Forces in eV/Ang:
  0 O     0.00000   -0.01735    1.17454
  1 Pt    0.00000   -0.00247   -0.37462
  2 Pt    0.00000   -0.01902   -0.43362
  3 O    -1.68512    0.00022   -0.71830
  4 O     1.68512    0.00022   -0.71830
  5 O     0.00000   -0.01173   -1.38581
  6 O     0.00000   -0.00264    1.76086
  7 Pt   -0.00000    0.01386    0.44868
  8 Pt    0.00000   -0.03972    0.75116
  9 O    -1.58120    0.00048    0.05088
 10 O     1.58120    0.00048    0.05088
 11 O     0.00000   -0.00892   -0.56679
 12 O    -0.00000    0.00921    0.13780
 13 Pt   -0.00000    0.27886   -0.04081
 14 Pt    0.00000   -0.01977    0.00674
 15 O    -0.00037    0.01003    0.00291
 16 O     0.00037    0.01003    0.00291
 17 O    -0.00000    0.01145   -1.04741
 18 O    -0.00000    0.00203    0.02616
 19 Pt    0.00000   -0.02334    0.12471
 20 Pt    0.00000   -0.03655    0.16189
 21 O    -0.20974    0.38084    0.22458
 22 O     0.20974    0.38084    0.22458
 23 O     0.00000   -0.01604   -0.08701
 24 O     0.00000   -0.00102    1.15049
 25 Pt   -0.00000    0.01679   -0.37779
 26 Pt    0.00000   -0.00018   -0.43416
 27 O    -1.69373    0.01341   -0.71756
 28 O     1.69373    0.01341   -0.71756
 29 O    -0.00000    0.04619   -1.38709
 30 O     0.00000   -0.00476    1.82634
 31 Pt   -0.00000    0.01919    0.50820
 32 Pt    0.00000   -0.14278    0.57434
 33 O    -1.61449   -0.01897    0.06995
 34 O     1.61449   -0.01897    0.06995
 35 O     0.00000   -0.03245   -0.52552
 36 O    -0.00000    0.21590   -0.11458
 37 Pt    0.00000   -0.31417   -0.04347
 38 Pt    0.00000   -0.00390   -0.01224
 39 O     0.01039    0.01166    0.01477
 40 O    -0.01039    0.01166    0.01477
 41 O     0.00000   -0.00395   -0.00030
 42 O    -0.00000    0.03200   -0.01644
 43 Pt    0.00000   -0.00890    0.06897
 44 Pt    0.00000   -0.08053    0.00702
 45 O    -0.17546   -0.37471    0.13710
 46 O     0.17546   -0.37471    0.13710
 47 O     0.00000   -0.02294   -0.05527
 48 O    -0.00000    0.02224    1.17246
 49 Pt    0.00000   -0.02243   -0.37680
 50 Pt   -0.00000    0.02112   -0.43534
 51 O    -1.69301   -0.01395   -0.71786
 52 O     1.69301   -0.01395   -0.71786
 53 O     0.00000   -0.01159   -1.40450
 54 O     0.00000   -0.00187    1.76865
 55 Pt    0.00000   -0.01219    0.51422
 56 Pt   -0.00000    0.12372    0.65056
 57 O    -1.61420    0.01381    0.09097
 58 O     1.61420    0.01381    0.09097
 59 O     0.00000   -0.02116   -0.51693
 60 O     0.00000   -0.20674   -0.11406
 61 Pt   -0.00000    0.01389   -0.09438
 62 Pt   -0.00000    0.01709   -0.00822
 63 O    -0.01485   -0.00746    0.00237
 64 O     0.01485   -0.00746    0.00237
 65 O     0.00000    0.00018   -0.00534
 66 O     0.00000   -0.01228   -0.00314
 67 Pt   -0.00000    0.00769    0.02466
 68 Pt   -0.00000    0.15151    0.01878
 69 O    -0.00814    0.00030   -0.03008
 70 O     0.00814    0.00030   -0.03008
 71 O    -0.00000    0.00817   -0.05123
 72 N     0.00000   -0.07490    0.23101
 73 N    -0.00000    0.05625    0.16999

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.502149   24.183687    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.431236   23.908660    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:27:12  -3.16   +inf  -414.334806    2      1      
iter:   2  03:29:19  -2.67  -2.47  -418.969842    4      1      
iter:   3  03:31:26  -3.05  -1.80  -414.179340    4      1      
iter:   4  03:33:32  -3.60  -2.87  -414.155280    3      1      
iter:   5  03:35:40  -4.20  -3.47  -414.149651    3      1      
iter:   6  03:37:46  -4.53  -3.58  -414.147957    3      1      
iter:   7  03:39:53  -4.80  -3.85  -414.147676    2      1      
iter:   8  03:42:00  -5.37  -3.93  -414.148036    2      1      
iter:   9  03:44:06  -5.89  -4.38  -414.147879    2      1      
iter:  10  03:46:12  -6.01  -4.40  -414.148263    2      1      
iter:  11  03:48:20  -6.13  -4.29  -414.147245    2      1      
iter:  12  03:50:27  -6.38  -4.21  -414.148026    2      1      
iter:  13  03:52:33  -6.66  -4.06  -414.147800    2      1      
iter:  14  03:54:39  -6.63  -4.73  -414.147776    2      1      
iter:  15  03:56:45  -7.05  -4.82  -414.147814    2      1      
iter:  16  03:58:53  -7.70  -5.11  -414.147763    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962679, -32.548725, 0.039269) |e|*Ang

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

Kinetic:        +18.714460
Potential:     -137.340814
External:        +0.000000
XC:            -305.234942
Entropy (-ST):   -1.565539
Local:          +10.496304
--------------------------
Free energy:   -414.930532
Extrapolated:  -414.147763

Fermi level: -6.50157

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57159    0.14850
  0   340     -6.55590    0.14057
  0   341     -6.55479    0.13999
  0   342     -6.52512    0.12413

  1   339     -6.47637    0.19437
  1   340     -6.42776    0.14374
  1   341     -6.39357    0.11267
  1   342     -6.38437    0.10510



Forces in eV/Ang:
  0 O     0.00000   -0.01734    1.17405
  1 Pt    0.00000   -0.00245   -0.37434
  2 Pt    0.00000   -0.01902   -0.43423
  3 O    -1.68313    0.00024   -0.71883
  4 O     1.68313    0.00024   -0.71883
  5 O     0.00000   -0.01177   -1.38602
  6 O     0.00000   -0.00263    1.76711
  7 Pt   -0.00000    0.01391    0.45104
  8 Pt    0.00000   -0.03973    0.75304
  9 O    -1.58113    0.00049    0.05150
 10 O     1.58113    0.00049    0.05150
 11 O     0.00000   -0.00893   -0.56536
 12 O    -0.00000    0.00913    0.13806
 13 Pt   -0.00000    0.27813   -0.03928
 14 Pt    0.00000   -0.01973    0.00776
 15 O    -0.00084    0.01014    0.00328
 16 O     0.00084    0.01014    0.00328
 17 O    -0.00000    0.01085   -1.04255
 18 O    -0.00000    0.00216    0.02631
 19 Pt    0.00000   -0.02301    0.12556
 20 Pt    0.00000   -0.03546    0.15845
 21 O    -0.21014    0.38104    0.22652
 22 O     0.21014    0.38104    0.22652
 23 O     0.00000   -0.01670   -0.08709
 24 O     0.00000   -0.00103    1.15001
 25 Pt   -0.00000    0.01677   -0.37753
 26 Pt    0.00000   -0.00019   -0.43470
 27 O    -1.69174    0.01340   -0.71809
 28 O     1.69174    0.01340   -0.71809
 29 O    -0.00000    0.04625   -1.38721
 30 O     0.00000   -0.00463    1.83269
 31 Pt   -0.00000    0.01915    0.51056
 32 Pt    0.00000   -0.14285    0.57598
 33 O    -1.61442   -0.01898    0.07059
 34 O     1.61442   -0.01898    0.07059
 35 O     0.00000   -0.03242   -0.52428
 36 O    -0.00000    0.21544   -0.11387
 37 Pt    0.00000   -0.31317   -0.04173
 38 Pt    0.00000   -0.00409   -0.01111
 39 O     0.00990    0.01154    0.01524
 40 O    -0.00990    0.01154    0.01524
 41 O     0.00000   -0.00417    0.00433
 42 O    -0.00000    0.03197   -0.01640
 43 Pt    0.00000   -0.00945    0.06725
 44 Pt    0.00000   -0.07784    0.00201
 45 O    -0.17353   -0.37452    0.13334
 46 O     0.17353   -0.37452    0.13334
 47 O     0.00000   -0.02232   -0.05523
 48 O    -0.00000    0.02225    1.17199
 49 Pt    0.00000   -0.02243   -0.37647
 50 Pt   -0.00000    0.02112   -0.43588
 51 O    -1.69099   -0.01396   -0.71837
 52 O     1.69099   -0.01396   -0.71837
 53 O     0.00000   -0.01161   -1.40465
 54 O     0.00000   -0.00199    1.77501
 55 Pt    0.00000   -0.01219    0.51648
 56 Pt   -0.00000    0.12375    0.65221
 57 O    -1.61415    0.01382    0.09160
 58 O     1.61415    0.01382    0.09160
 59 O     0.00000   -0.02120   -0.51565
 60 O     0.00000   -0.20625   -0.11351
 61 Pt   -0.00000    0.01394   -0.09225
 62 Pt   -0.00000    0.01723   -0.00719
 63 O    -0.01511   -0.00744    0.00271
 64 O     0.01511   -0.00744    0.00271
 65 O     0.00000    0.00004   -0.00044
 66 O     0.00000   -0.01234   -0.00303
 67 Pt   -0.00000    0.00785    0.02508
 68 Pt   -0.00000    0.15133    0.01964
 69 O    -0.00895    0.00050   -0.02939
 70 O     0.00895    0.00050   -0.02939
 71 O    -0.00000    0.00817   -0.05081
 72 N     0.00000   -0.09685    0.34673
 73 N     0.00000   -0.02753    0.19814

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.515560   24.180700    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.445262   23.903596    ( 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  04:04:00  -3.13   +inf  -414.161363    2      1      
iter:   2  04:06:07  -3.66  -3.05  -414.486367    3      1      
iter:   3  04:08:03  -4.00  -2.33  -414.144610    3      1      
iter:   4  04:10:10  -4.73  -3.62  -414.146751    3      1      
iter:   5  04:12:15  -4.95  -3.97  -414.143791    2      1      
iter:   6  04:14:22  -4.97  -3.98  -414.144667    3      1      
iter:   7  04:16:29  -5.79  -4.23  -414.145161    2      1      
iter:   8  04:18:35  -5.95  -4.49  -414.144957    2      1      
iter:   9  04:20:42  -6.19  -4.54  -414.145356    2      1      
iter:  10  04:22:48  -6.07  -3.71  -414.145661    2      1      
iter:  11  04:24:54  -6.17  -4.24  -414.144600    2      1      
iter:  12  04:27:01  -6.55  -4.43  -414.144858    2      1      
iter:  13  04:29:08  -6.69  -4.72  -414.144900    2      1      
iter:  14  04:31:13  -7.04  -4.93  -414.144957    2      1      
iter:  15  04:33:21  -7.18  -5.07  -414.144981    2      1      
iter:  16  04:35:27  -7.02  -4.44  -414.144777    2      1      
iter:  17  04:37:34  -7.26  -4.47  -414.144988    2      1      
iter:  18  04:39:41  -8.07  -5.21  -414.144905    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962728, -32.549003, 0.039200) |e|*Ang

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

Kinetic:        +18.735807
Potential:     -137.350717
External:        +0.000000
XC:            -305.244251
Entropy (-ST):   -1.565462
Local:          +10.496987
--------------------------
Free energy:   -414.927635
Extrapolated:  -414.144905

Fermi level: -6.50129

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57119    0.14844
  0   340     -6.55573    0.14063
  0   341     -6.55463    0.14006
  0   342     -6.52478    0.12410

  1   339     -6.47615    0.19443
  1   340     -6.42756    0.14382
  1   341     -6.39333    0.11270
  1   342     -6.38393    0.10498



Forces in eV/Ang:
  0 O     0.00000   -0.01734    1.17418
  1 Pt    0.00000   -0.00245   -0.37404
  2 Pt    0.00000   -0.01902   -0.43337
  3 O    -1.68300    0.00023   -0.71850
  4 O     1.68300    0.00023   -0.71850
  5 O     0.00000   -0.01175   -1.38638
  6 O     0.00000   -0.00263    1.76853
  7 Pt   -0.00000    0.01391    0.45148
  8 Pt    0.00000   -0.03970    0.75296
  9 O    -1.58102    0.00049    0.05137
 10 O     1.58102    0.00049    0.05137
 11 O     0.00000   -0.00893   -0.56611
 12 O    -0.00000    0.00912    0.13804
 13 Pt   -0.00000    0.27825   -0.03861
 14 Pt    0.00000   -0.01970    0.00823
 15 O    -0.00094    0.01014    0.00339
 16 O     0.00094    0.01014    0.00339
 17 O    -0.00000    0.00988   -1.03883
 18 O    -0.00000    0.00224    0.02552
 19 Pt    0.00000   -0.02296    0.12525
 20 Pt    0.00000   -0.02989    0.16549
 21 O    -0.21052    0.38118    0.22459
 22 O     0.21052    0.38118    0.22459
 23 O     0.00000   -0.01595   -0.08748
 24 O     0.00000   -0.00103    1.15013
 25 Pt   -0.00000    0.01676   -0.37724
 26 Pt    0.00000   -0.00018   -0.43387
 27 O    -1.69160    0.01340   -0.71776
 28 O     1.69160    0.01340   -0.71776
 29 O    -0.00000    0.04627   -1.38758
 30 O     0.00000   -0.00466    1.83402
 31 Pt   -0.00000    0.01915    0.51097
 32 Pt    0.00000   -0.14291    0.57602
 33 O    -1.61432   -0.01898    0.07044
 34 O     1.61432   -0.01898    0.07044
 35 O     0.00000   -0.03242   -0.52496
 36 O    -0.00000    0.21546   -0.11409
 37 Pt    0.00000   -0.31305   -0.04119
 38 Pt    0.00000   -0.00405   -0.01066
 39 O     0.00979    0.01153    0.01530
 40 O    -0.00979    0.01153    0.01530
 41 O     0.00000   -0.00435    0.00684
 42 O    -0.00000    0.03193   -0.01714
 43 Pt    0.00000   -0.00979    0.06834
 44 Pt    0.00000   -0.07886    0.00606
 45 O    -0.17398   -0.37458    0.13123
 46 O     0.17398   -0.37458    0.13123
 47 O     0.00000   -0.02287   -0.05555
 48 O    -0.00000    0.02224    1.17210
 49 Pt    0.00000   -0.02243   -0.37620
 50 Pt   -0.00000    0.02112   -0.43504
 51 O    -1.69086   -0.01396   -0.71805
 52 O     1.69086   -0.01396   -0.71805
 53 O     0.00000   -0.01162   -1.40502
 54 O     0.00000   -0.00196    1.77632
 55 Pt    0.00000   -0.01218    0.51695
 56 Pt   -0.00000    0.12375    0.65226
 57 O    -1.61400    0.01382    0.09147
 58 O     1.61400    0.01382    0.09147
 59 O     0.00000   -0.02119   -0.51635
 60 O     0.00000   -0.20632   -0.11362
 61 Pt   -0.00000    0.01402   -0.09208
 62 Pt   -0.00000    0.01715   -0.00675
 63 O    -0.01522   -0.00745    0.00275
 64 O     0.01522   -0.00745    0.00275
 65 O     0.00000    0.00011    0.00183
 66 O     0.00000   -0.01235   -0.00374
 67 Pt   -0.00000    0.00793    0.02517
 68 Pt   -0.00000    0.15116    0.01910
 69 O    -0.00911    0.00052   -0.03044
 70 O     0.00911    0.00052   -0.03044
 71 O    -0.00000    0.00797   -0.05180
 72 N    -0.00000    0.06437    0.28019
 73 N     0.00000   -0.14333    0.16103

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.529021   24.177861    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.458584   23.898572    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:44:09  -3.16   +inf  -414.145000    3      1      
iter:   2  04:46:15  -4.03  -3.45  -414.190687    2      1      
iter:   3  04:48:22  -4.51  -2.77  -414.143253    2      1      
iter:   4  04:50:29  -4.69  -3.89  -414.144389    3      1      
iter:   5  04:52:36  -4.86  -3.89  -414.141809    3      1      
iter:   6  04:54:44  -5.41  -3.93  -414.142925    3      1      
iter:   7  04:56:51  -6.19  -4.37  -414.142717    2      1      
iter:   8  04:58:57  -5.96  -4.62  -414.142520    3      1      
iter:   9  05:01:04  -6.35  -4.17  -414.143267    2      1      
iter:  10  05:03:11  -6.14  -3.92  -414.142678    2      1      
iter:  11  05:05:18  -6.83  -4.58  -414.142578    2      1      
iter:  12  05:07:24  -7.17  -4.85  -414.142731    2      1      
iter:  13  05:09:31  -7.67  -5.11  -414.142659    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962738, -32.548998, 0.038545) |e|*Ang

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

Kinetic:        +18.653856
Potential:     -137.283677
External:        +0.000000
XC:            -305.226657
Entropy (-ST):   -1.565484
Local:          +10.496560
--------------------------
Free energy:   -414.925401
Extrapolated:  -414.142659

Fermi level: -6.50181

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57170    0.14843
  0   340     -6.55628    0.14065
  0   341     -6.55519    0.14008
  0   342     -6.52525    0.12407

  1   339     -6.47672    0.19449
  1   340     -6.42812    0.14385
  1   341     -6.39389    0.11273
  1   342     -6.38433    0.10488



Forces in eV/Ang:
  0 O     0.00000   -0.01734    1.17401
  1 Pt    0.00000   -0.00245   -0.37419
  2 Pt    0.00000   -0.01904   -0.43335
  3 O    -1.68278    0.00028   -0.71843
  4 O     1.68278    0.00028   -0.71843
  5 O     0.00000   -0.01176   -1.38676
  6 O     0.00000   -0.00264    1.76891
  7 Pt   -0.00000    0.01379    0.45150
  8 Pt    0.00000   -0.03967    0.75325
  9 O    -1.58096    0.00036    0.05140
 10 O     1.58096    0.00036    0.05140
 11 O     0.00000   -0.00892   -0.56643
 12 O    -0.00000    0.00908    0.13797
 13 Pt   -0.00000    0.27808   -0.03905
 14 Pt    0.00000   -0.01964    0.00806
 15 O    -0.00090    0.01014    0.00338
 16 O     0.00090    0.01014    0.00338
 17 O    -0.00000    0.00928   -1.03893
 18 O    -0.00000    0.00209    0.02536
 19 Pt    0.00000   -0.02251    0.12592
 20 Pt    0.00000   -0.02846    0.16280
 21 O    -0.21065    0.38107    0.22498
 22 O     0.21065    0.38107    0.22498
 23 O     0.00000   -0.01654   -0.08713
 24 O     0.00000   -0.00107    1.14998
 25 Pt   -0.00000    0.01675   -0.37739
 26 Pt    0.00000   -0.00024   -0.43374
 27 O    -1.69138    0.01334   -0.71770
 28 O     1.69138    0.01334   -0.71770
 29 O    -0.00000    0.04631   -1.38780
 30 O     0.00000   -0.00462    1.83495
 31 Pt   -0.00000    0.01929    0.51102
 32 Pt    0.00000   -0.14288    0.57614
 33 O    -1.61428   -0.01881    0.07048
 34 O     1.61428   -0.01881    0.07048
 35 O     0.00000   -0.03238   -0.52520
 36 O    -0.00000    0.21529   -0.11449
 37 Pt    0.00000   -0.31261   -0.04152
 38 Pt    0.00000   -0.00421   -0.01126
 39 O     0.00976    0.01157    0.01532
 40 O    -0.00976    0.01157    0.01532
 41 O     0.00000   -0.00494    0.00821
 42 O    -0.00000    0.03194   -0.01758
 43 Pt    0.00000   -0.01044    0.06716
 44 Pt    0.00000   -0.07653    0.00190
 45 O    -0.17220   -0.37390    0.12681
 46 O     0.17220   -0.37390    0.12681
 47 O     0.00000   -0.02289   -0.05522
 48 O    -0.00000    0.02230    1.17195
 49 Pt    0.00000   -0.02242   -0.37626
 50 Pt   -0.00000    0.02119   -0.43491
 51 O    -1.69060   -0.01394   -0.71800
 52 O     1.69060   -0.01394   -0.71800
 53 O     0.00000   -0.01163   -1.40528
 54 O     0.00000   -0.00199    1.77713
 55 Pt    0.00000   -0.01221    0.51704
 56 Pt   -0.00000    0.12365    0.65240
 57 O    -1.61402    0.01379    0.09150
 58 O     1.61402    0.01379    0.09150
 59 O     0.00000   -0.02125   -0.51666
 60 O     0.00000   -0.20620   -0.11401
 61 Pt   -0.00000    0.01411   -0.09231
 62 Pt   -0.00000    0.01724   -0.00734
 63 O    -0.01528   -0.00747    0.00264
 64 O     0.01528   -0.00747    0.00264
 65 O     0.00000    0.00026    0.00277
 66 O     0.00000   -0.01220   -0.00420
 67 Pt   -0.00000    0.00802    0.02518
 68 Pt   -0.00000    0.15111    0.01959
 69 O    -0.00968    0.00062   -0.03110
 70 O     0.00968    0.00062   -0.03110
 71 O    -0.00000    0.00857   -0.05131
 72 N     0.00000   -0.15206    0.25595
 73 N    -0.00000    0.11573    0.16467

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.543414   24.175259    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.468421   23.894236    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:21:17  -3.17   +inf  -414.201291    3      1      
iter:   2  05:23:13  -3.06  -2.68  -416.071685    3      1      
iter:   3  05:25:19  -3.45  -1.98  -414.157021    3      1      
iter:   4  05:27:27  -4.10  -3.17  -414.142922    3      1      
iter:   5  05:29:34  -4.48  -3.69  -414.143854    3      1      
iter:   6  05:31:41  -4.86  -3.66  -414.140724    3      1      
iter:   7  05:33:48  -4.95  -3.80  -414.140086    3      1      
iter:   8  05:35:54  -5.27  -3.93  -414.139890    3      1      
iter:   9  05:38:00  -5.38  -4.29  -414.139571    3      1      
iter:  10  05:40:07  -5.77  -4.25  -414.139375    3      1      
iter:  11  05:42:13  -6.24  -4.19  -414.139848    2      1      
iter:  12  05:44:20  -6.22  -4.29  -414.139228    2      1      
iter:  13  05:46:26  -6.52  -4.46  -414.139579    2      1      
iter:  14  05:48:32  -6.68  -4.53  -414.139545    2      1      
iter:  15  05:50:39  -6.97  -4.83  -414.139625    2      1      
iter:  16  05:52:47  -7.03  -4.85  -414.139590    2      1      
iter:  17  05:54:54  -7.43  -4.76  -414.139416    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962688, -32.549386, 0.040592) |e|*Ang

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

Kinetic:        +17.906663
Potential:     -136.686916
External:        +0.000000
XC:            -305.071600
Entropy (-ST):   -1.565626
Local:          +10.495250
--------------------------
Free energy:   -414.922229
Extrapolated:  -414.139416

Fermi level: -6.50086

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57153    0.14882
  0   340     -6.55492    0.14043
  0   341     -6.55375    0.13983
  0   342     -6.52455    0.12421

  1   339     -6.47556    0.19426
  1   340     -6.42683    0.14352
  1   341     -6.39303    0.11281
  1   342     -6.38333    0.10484



Forces in eV/Ang:
  0 O     0.00000   -0.01733    1.17478
  1 Pt    0.00000   -0.00247   -0.37398
  2 Pt    0.00000   -0.01900   -0.43355
  3 O    -1.68477    0.00024   -0.71802
  4 O     1.68477    0.00024   -0.71802
  5 O     0.00000   -0.01178   -1.38575
  6 O     0.00000   -0.00266    1.76133
  7 Pt   -0.00000    0.01391    0.44915
  8 Pt    0.00000   -0.03964    0.75097
  9 O    -1.58129    0.00049    0.05119
 10 O     1.58129    0.00049    0.05119
 11 O     0.00000   -0.00893   -0.56698
 12 O    -0.00000    0.00915    0.13814
 13 Pt   -0.00000    0.27819   -0.04112
 14 Pt    0.00000   -0.01956    0.00650
 15 O    -0.00071    0.01006    0.00329
 16 O     0.00071    0.01006    0.00329
 17 O    -0.00000    0.00864   -1.04472
 18 O    -0.00000    0.00256    0.02574
 19 Pt    0.00000   -0.02319    0.12202
 20 Pt    0.00000   -0.02273    0.16678
 21 O    -0.21012    0.38037    0.22244
 22 O     0.21012    0.38037    0.22244
 23 O     0.00000   -0.01697   -0.08762
 24 O     0.00000   -0.00104    1.15075
 25 Pt   -0.00000    0.01675   -0.37723
 26 Pt    0.00000   -0.00020   -0.43408
 27 O    -1.69339    0.01341   -0.71727
 28 O     1.69339    0.01341   -0.71727
 29 O    -0.00000    0.04633   -1.38698
 30 O     0.00000   -0.00465    1.82676
 31 Pt   -0.00000    0.01913    0.50862
 32 Pt    0.00000   -0.14306    0.57392
 33 O    -1.61459   -0.01899    0.07026
 34 O     1.61459   -0.01899    0.07026
 35 O     0.00000   -0.03242   -0.52587
 36 O    -0.00000    0.21530   -0.11395
 37 Pt    0.00000   -0.31248   -0.04330
 38 Pt    0.00000   -0.00417   -0.01220
 39 O     0.00990    0.01160    0.01529
 40 O    -0.00990    0.01160    0.01529
 41 O     0.00000   -0.00521   -0.00095
 42 O    -0.00000    0.03183   -0.01696
 43 Pt    0.00000   -0.01024    0.06243
 44 Pt    0.00000   -0.07780    0.00036
 45 O    -0.17040   -0.37345    0.12052
 46 O     0.17040   -0.37345    0.12052
 47 O     0.00000   -0.02190   -0.05579
 48 O    -0.00000    0.02225    1.17271
 49 Pt    0.00000   -0.02241   -0.37615
 50 Pt   -0.00000    0.02111   -0.43519
 51 O    -1.69264   -0.01397   -0.71756
 52 O     1.69264   -0.01397   -0.71756
 53 O     0.00000   -0.01164   -1.40445
 54 O     0.00000   -0.00196    1.76914
 55 Pt    0.00000   -0.01218    0.51458
 56 Pt   -0.00000    0.12376    0.65025
 57 O    -1.61426    0.01384    0.09128
 58 O     1.61426    0.01384    0.09128
 59 O     0.00000   -0.02117   -0.51735
 60 O     0.00000   -0.20640   -0.11365
 61 Pt   -0.00000    0.01419   -0.09438
 62 Pt   -0.00000    0.01711   -0.00849
 63 O    -0.01505   -0.00741    0.00271
 64 O     0.01505   -0.00741    0.00271
 65 O     0.00000    0.00023   -0.00626
 66 O     0.00000   -0.01257   -0.00352
 67 Pt   -0.00000    0.00833    0.02173
 68 Pt   -0.00000    0.15053    0.01514
 69 O    -0.00826    0.00116   -0.03341
 70 O     0.00826    0.00116   -0.03341
 71 O    -0.00000    0.00790   -0.05222
 72 N     0.00000   -0.76124    0.02663
 73 N    -0.00000    0.72305    0.34220

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.525735   24.180560    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.490536   23.891335    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:01:15  -2.24   +inf  -417.955227    35     1      
iter:   2  06:03:23  -1.38  -1.86  -472.761733    36     1      
iter:   3  06:05:29  -1.81  -1.26  -415.077079    37     1      
iter:   4  06:07:37  -2.44  -2.12  -414.559694    36     1      
iter:   5  06:09:44  -3.05  -2.37  -414.214769    4      1      
iter:   6  06:11:51  -3.33  -2.71  -414.150066    3      1      
iter:   7  06:13:58  -3.22  -2.89  -414.122194    2      1      
iter:   8  06:16:05  -3.78  -2.91  -414.112174    3      1      
iter:   9  06:18:12  -4.06  -3.06  -414.109059    3      1      
iter:  10  06:20:18  -3.86  -2.95  -414.086091    3      1      
iter:  11  06:22:25  -3.81  -3.38  -414.075554    3      1      
iter:  12  06:24:32  -4.10  -3.31  -414.076596    3      1      
iter:  13  06:26:39  -4.41  -3.50  -414.074791    3      1      
iter:  14  06:28:47  -4.81  -3.57  -414.073366    3      1      
iter:  15  06:30:54  -5.30  -3.51  -414.072833    3      1      
iter:  16  06:32:52  -5.20  -3.75  -414.072393    3      1      
iter:  17  06:34:59  -4.91  -3.97  -414.071571    3      1      
iter:  18  06:37:06  -5.35  -3.98  -414.072307    2      1      
iter:  19  06:39:11  -5.94  -4.22  -414.071663    2      1      
iter:  20  06:41:18  -6.26  -4.28  -414.071827    2      1      
iter:  21  06:43:24  -6.88  -4.33  -414.071976    2      1      
iter:  22  06:45:30  -6.76  -4.22  -414.071876    2      1      
iter:  23  06:47:36  -6.73  -4.54  -414.071859    2      1      
iter:  24  06:49:43  -6.89  -4.60  -414.071711    2      1      
iter:  25  06:51:50  -6.90  -4.66  -414.072072    2      1      
iter:  26  06:53:57  -7.08  -4.60  -414.071818    2      1      
iter:  27  06:56:03  -7.68  -4.85  -414.071799    2      1      

Converged after 27 iterations.

Dipole moment: (-55.962638, -32.553678, 0.044845) |e|*Ang

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

Kinetic:        +24.368299
Potential:     -141.835187
External:        +0.000000
XC:            -306.325094
Entropy (-ST):   -1.565148
Local:          +10.502756
--------------------------
Free energy:   -414.854373
Extrapolated:  -414.071799

Fermi level: -6.49679

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56689    0.14853
  0   340     -6.55102    0.14052
  0   341     -6.54989    0.13993
  0   342     -6.52059    0.12427

  1   339     -6.47155    0.19433
  1   340     -6.42288    0.14364
  1   341     -6.38837    0.11231
  1   342     -6.37989    0.10534



Forces in eV/Ang:
  0 O     0.00000   -0.01739    1.17458
  1 Pt    0.00000   -0.00241   -0.37383
  2 Pt    0.00000   -0.01903   -0.43330
  3 O    -1.68403    0.00022   -0.71806
  4 O     1.68403    0.00022   -0.71806
  5 O     0.00000   -0.01167   -1.38642
  6 O     0.00000   -0.00264    1.76411
  7 Pt   -0.00000    0.01394    0.44985
  8 Pt    0.00000   -0.03997    0.75249
  9 O    -1.58143    0.00049    0.05113
 10 O     1.58143    0.00049    0.05113
 11 O     0.00000   -0.00892   -0.56629
 12 O    -0.00000    0.00883    0.13646
 13 Pt   -0.00000    0.27529   -0.03963
 14 Pt    0.00000   -0.01937    0.00738
 15 O    -0.00065    0.01011    0.00354
 16 O     0.00065    0.01011    0.00354
 17 O    -0.00000    0.00749   -1.03176
 18 O    -0.00000    0.00278    0.02534
 19 Pt    0.00000   -0.02386    0.12086
 20 Pt    0.00000   -0.03285    0.13426
 21 O    -0.21058    0.38141    0.22482
 22 O     0.21058    0.38141    0.22482
 23 O     0.00000   -0.01558   -0.08268
 24 O     0.00000   -0.00100    1.15056
 25 Pt   -0.00000    0.01678   -0.37700
 26 Pt    0.00000   -0.00018   -0.43376
 27 O    -1.69262    0.01341   -0.71731
 28 O     1.69262    0.01341   -0.71731
 29 O    -0.00000    0.04631   -1.38771
 30 O     0.00000   -0.00470    1.82955
 31 Pt   -0.00000    0.01911    0.50935
 32 Pt    0.00000   -0.14304    0.57520
 33 O    -1.61468   -0.01897    0.07022
 34 O     1.61468   -0.01897    0.07022
 35 O     0.00000   -0.03245   -0.52512
 36 O    -0.00000    0.21468   -0.11528
 37 Pt    0.00000   -0.30924   -0.04172
 38 Pt    0.00000   -0.00434   -0.01112
 39 O     0.01001    0.01162    0.01569
 40 O    -0.01001    0.01162    0.01569
 41 O     0.00000   -0.00530    0.00254
 42 O    -0.00000    0.03131   -0.01713
 43 Pt    0.00000   -0.00985    0.06170
 44 Pt    0.00000   -0.06522   -0.01695
 45 O    -0.17168   -0.37367    0.12751
 46 O     0.17168   -0.37367    0.12751
 47 O     0.00000   -0.02350   -0.05168
 48 O    -0.00000    0.02225    1.17253
 49 Pt    0.00000   -0.02248   -0.37600
 50 Pt   -0.00000    0.02113   -0.43500
 51 O    -1.69188   -0.01395   -0.71760
 52 O     1.69188   -0.01395   -0.71760
 53 O     0.00000   -0.01171   -1.40492
 54 O     0.00000   -0.00193    1.77191
 55 Pt    0.00000   -0.01219    0.51529
 56 Pt   -0.00000    0.12409    0.65106
 57 O    -1.61436    0.01384    0.09125
 58 O     1.61436    0.01384    0.09125
 59 O     0.00000   -0.02117   -0.51645
 60 O     0.00000   -0.20512   -0.11425
 61 Pt   -0.00000    0.01395   -0.09209
 62 Pt   -0.00000    0.01713   -0.00767
 63 O    -0.01493   -0.00751    0.00283
 64 O     0.01493   -0.00751    0.00283
 65 O     0.00000    0.00015   -0.00183
 66 O     0.00000   -0.01208   -0.00318
 67 Pt   -0.00000    0.00902    0.02161
 68 Pt   -0.00000    0.15002    0.01266
 69 O    -0.00916   -0.00002   -0.03209
 70 O     0.00916   -0.00002   -0.03209
 71 O    -0.00000    0.00803   -0.05054
 72 N    -0.00000    4.55028    1.51579
 73 N     0.00000   -4.61240   -1.05720

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.543735   24.176751    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.476053   23.894417    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:00:40  -2.39   +inf  -415.397498    33     1      
iter:   2  07:02:46  -1.94  -2.10  -433.502878    3      1      
iter:   3  07:04:53  -2.41  -1.51  -414.500086    32     1      
iter:   4  07:06:59  -2.93  -2.41  -414.237479    3      1      
iter:   5  07:09:05  -3.45  -2.89  -414.214855    3      1      
iter:   6  07:11:13  -3.62  -2.85  -414.186600    3      1      
iter:   7  07:13:20  -4.09  -3.24  -414.186422    3      1      
iter:   8  07:15:12  -3.95  -3.01  -414.154713    3      1      
iter:   9  07:17:20  -3.59  -3.42  -414.147200    3      1      
iter:  10  07:19:27  -3.95  -3.48  -414.142916    3      1      
iter:  11  07:21:34  -4.57  -3.54  -414.143391    3      1      
iter:  12  07:23:42  -5.03  -3.61  -414.143391    3      1      
iter:  13  07:25:48  -5.16  -3.48  -414.142768    3      1      
iter:  14  07:27:54  -5.24  -3.57  -414.143318    2      1      
iter:  15  07:30:01  -5.43  -3.89  -414.142806    3      1      
iter:  16  07:32:08  -5.33  -3.90  -414.143293    3      1      
iter:  17  07:34:15  -5.15  -3.80  -414.142308    3      1      
iter:  18  07:36:20  -5.52  -3.95  -414.142183    3      1      
iter:  19  07:38:27  -6.12  -4.14  -414.142068    2      1      
iter:  20  07:40:33  -6.23  -4.15  -414.141655    2      1      
iter:  21  07:42:41  -6.96  -4.44  -414.141847    2      1      
iter:  22  07:44:48  -7.02  -4.50  -414.141696    2      1      
iter:  23  07:46:54  -6.84  -4.56  -414.141823    2      1      
iter:  24  07:48:59  -6.82  -4.63  -414.141747    2      1      
iter:  25  07:50:57  -7.20  -4.76  -414.141756    2      1      
iter:  26  07:53:03  -7.73  -4.68  -414.141725    2      1      

Converged after 26 iterations.

Dipole moment: (-55.962712, -32.550473, 0.041011) |e|*Ang

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

Kinetic:        +18.899252
Potential:     -137.472881
External:        +0.000000
XC:            -305.279878
Entropy (-ST):   -1.565320
Local:          +10.494442
--------------------------
Free energy:   -414.924385
Extrapolated:  -414.141725

Fermi level: -6.50027

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57019    0.14845
  0   340     -6.55472    0.14063
  0   341     -6.55362    0.14007
  0   342     -6.52373    0.12409

  1   339     -6.47510    0.19440
  1   340     -6.42657    0.14385
  1   341     -6.39232    0.11271
  1   342     -6.38274    0.10484



Forces in eV/Ang:
  0 O     0.00000   -0.01735    1.17306
  1 Pt    0.00000   -0.00246   -0.37471
  2 Pt    0.00000   -0.01902   -0.43503
  3 O    -1.68246    0.00024   -0.71887
  4 O     1.68246    0.00024   -0.71887
  5 O     0.00000   -0.01174   -1.38576
  6 O     0.00000   -0.00261    1.76729
  7 Pt   -0.00000    0.01395    0.45132
  8 Pt    0.00000   -0.03969    0.75286
  9 O    -1.58081    0.00052    0.05160
 10 O     1.58081    0.00052    0.05160
 11 O     0.00000   -0.00891   -0.56557
 12 O    -0.00000    0.00894    0.13780
 13 Pt   -0.00000    0.27777   -0.03969
 14 Pt    0.00000   -0.01978    0.00752
 15 O    -0.00124    0.01009    0.00318
 16 O     0.00124    0.01009    0.00318
 17 O    -0.00000    0.00825   -1.03630
 18 O    -0.00000    0.00207    0.02590
 19 Pt    0.00000   -0.02307    0.12738
 20 Pt    0.00000   -0.02500    0.17488
 21 O    -0.21022    0.38108    0.22743
 22 O     0.21022    0.38108    0.22743
 23 O     0.00000   -0.01725   -0.08899
 24 O     0.00000   -0.00103    1.14902
 25 Pt   -0.00000    0.01678   -0.37792
 26 Pt    0.00000   -0.00018   -0.43552
 27 O    -1.69106    0.01340   -0.71812
 28 O     1.69106    0.01340   -0.71812
 29 O    -0.00000    0.04632   -1.38693
 30 O     0.00000   -0.00463    1.83278
 31 Pt   -0.00000    0.01911    0.51078
 32 Pt    0.00000   -0.14305    0.57579
 33 O    -1.61412   -0.01899    0.07066
 34 O     1.61412   -0.01899    0.07066
 35 O     0.00000   -0.03244   -0.52449
 36 O    -0.00000    0.21507   -0.11393
 37 Pt    0.00000   -0.31194   -0.04217
 38 Pt    0.00000   -0.00396   -0.01110
 39 O     0.00956    0.01154    0.01490
 40 O    -0.00956    0.01154    0.01490
 41 O     0.00000   -0.00491    0.00692
 42 O    -0.00000    0.03249   -0.01711
 43 Pt    0.00000   -0.01046    0.06713
 44 Pt    0.00000   -0.07502    0.00783
 45 O    -0.16995   -0.37411    0.12425
 46 O     0.16995   -0.37411    0.12425
 47 O     0.00000   -0.02180   -0.05674
 48 O    -0.00000    0.02226    1.17099
 49 Pt    0.00000   -0.02244   -0.37685
 50 Pt   -0.00000    0.02112   -0.43668
 51 O    -1.69032   -0.01396   -0.71841
 52 O     1.69032   -0.01396   -0.71841
 53 O     0.00000   -0.01165   -1.40438
 54 O     0.00000   -0.00200    1.77505
 55 Pt    0.00000   -0.01219    0.51671
 56 Pt   -0.00000    0.12380    0.65206
 57 O    -1.61380    0.01382    0.09168
 58 O     1.61380    0.01382    0.09168
 59 O     0.00000   -0.02118   -0.51587
 60 O     0.00000   -0.20588   -0.11350
 61 Pt   -0.00000    0.01417   -0.09276
 62 Pt   -0.00000    0.01712   -0.00718
 63 O    -0.01543   -0.00739    0.00267
 64 O     0.01543   -0.00739    0.00267
 65 O     0.00000    0.00001    0.00175
 66 O     0.00000   -0.01269   -0.00403
 67 Pt   -0.00000    0.00852    0.02684
 68 Pt   -0.00000    0.15099    0.02561
 69 O    -0.00866    0.00097   -0.02871
 70 O     0.00866    0.00097   -0.02871
 71 O    -0.00000    0.00807   -0.05147
 72 N    -0.00000    0.13818    0.24409
 73 N     0.00000   -0.21461    0.14477

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.546941   24.176587    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.478840   23.895952    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:57:41  -4.40   +inf  -414.142807    2      1      
iter:   2  07:59:48  -4.47  -3.40  -414.221756    3      1      
iter:   3  08:01:55  -4.59  -2.66  -414.142406    2      1      
iter:   4  08:04:01  -5.41  -4.31  -414.141555    2      1      
iter:   5  08:06:09  -5.67  -4.49  -414.141616    2      1      
iter:   6  08:08:15  -6.02  -4.49  -414.141668    2      1      
iter:   7  08:10:22  -6.88  -4.96  -414.141714    2      1      
iter:   8  08:12:29  -7.34  -5.16  -414.141714    2      1      
iter:   9  08:14:35  -7.35  -5.17  -414.141824    2      1      
iter:  10  08:16:42  -7.44  -4.98  -414.141640    2      1      

Converged after 10 iterations.

Dipole moment: (-55.962730, -32.549083, 0.039759) |e|*Ang

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

Kinetic:        +18.987207
Potential:     -137.551815
External:        +0.000000
XC:            -305.292371
Entropy (-ST):   -1.565537
Local:          +10.498108
--------------------------
Free energy:   -414.924408
Extrapolated:  -414.141640

Fermi level: -6.50159

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57205    0.14871
  0   340     -6.55568    0.14045
  0   341     -6.55452    0.13985
  0   342     -6.52529    0.12422

  1   339     -6.47627    0.19424
  1   340     -6.42759    0.14356
  1   341     -6.39363    0.11270
  1   342     -6.38421    0.10497



Forces in eV/Ang:
  0 O     0.00000   -0.01734    1.17427
  1 Pt    0.00000   -0.00247   -0.37495
  2 Pt    0.00000   -0.01901   -0.43453
  3 O    -1.68480    0.00024   -0.71861
  4 O     1.68480    0.00024   -0.71861
  5 O     0.00000   -0.01176   -1.38595
  6 O     0.00000   -0.00265    1.76165
  7 Pt   -0.00000    0.01396    0.44920
  8 Pt    0.00000   -0.03973    0.75136
  9 O    -1.58134    0.00051    0.05094
 10 O     1.58134    0.00051    0.05094
 11 O     0.00000   -0.00893   -0.56727
 12 O    -0.00000    0.00898    0.13720
 13 Pt   -0.00000    0.27787   -0.04173
 14 Pt    0.00000   -0.01958    0.00599
 15 O    -0.00062    0.01011    0.00282
 16 O     0.00062    0.01011    0.00282
 17 O    -0.00000    0.00843   -1.04427
 18 O    -0.00000    0.00253    0.02578
 19 Pt    0.00000   -0.02299    0.12512
 20 Pt    0.00000   -0.02539    0.16372
 21 O    -0.20997    0.38083    0.22615
 22 O     0.20997    0.38083    0.22615
 23 O     0.00000   -0.01688   -0.08697
 24 O     0.00000   -0.00103    1.15024
 25 Pt   -0.00000    0.01678   -0.37819
 26 Pt    0.00000   -0.00018   -0.43504
 27 O    -1.69341    0.01340   -0.71786
 28 O     1.69341    0.01340   -0.71786
 29 O    -0.00000    0.04632   -1.38717
 30 O     0.00000   -0.00462    1.82704
 31 Pt   -0.00000    0.01907    0.50868
 32 Pt    0.00000   -0.14299    0.57429
 33 O    -1.61463   -0.01900    0.07001
 34 O     1.61463   -0.01900    0.07001
 35 O     0.00000   -0.03242   -0.52625
 36 O    -0.00000    0.21517   -0.11465
 37 Pt    0.00000   -0.31200   -0.04402
 38 Pt    0.00000   -0.00412   -0.01234
 39 O     0.01009    0.01157    0.01470
 40 O    -0.01009    0.01157    0.01470
 41 O     0.00000   -0.00515   -0.00093
 42 O    -0.00000    0.03220   -0.01715
 43 Pt    0.00000   -0.01041    0.06466
 44 Pt    0.00000   -0.07436   -0.00234
 45 O    -0.17013   -0.37403    0.12425
 46 O     0.17013   -0.37403    0.12425
 47 O     0.00000   -0.02215   -0.05521
 48 O    -0.00000    0.02225    1.17221
 49 Pt    0.00000   -0.02243   -0.37711
 50 Pt   -0.00000    0.02111   -0.43618
 51 O    -1.69266   -0.01396   -0.71814
 52 O     1.69266   -0.01396   -0.71814
 53 O     0.00000   -0.01164   -1.40459
 54 O     0.00000   -0.00200    1.76943
 55 Pt    0.00000   -0.01217    0.51456
 56 Pt   -0.00000    0.12378    0.65051
 57 O    -1.61432    0.01384    0.09102
 58 O     1.61432    0.01384    0.09102
 59 O     0.00000   -0.02118   -0.51768
 60 O     0.00000   -0.20603   -0.11438
 61 Pt   -0.00000    0.01415   -0.09448
 62 Pt   -0.00000    0.01708   -0.00864
 63 O    -0.01485   -0.00743    0.00231
 64 O     0.01485   -0.00743    0.00231
 65 O     0.00000    0.00004   -0.00570
 66 O     0.00000   -0.01284   -0.00356
 67 Pt   -0.00000    0.00842    0.02397
 68 Pt   -0.00000    0.15056    0.01935
 69 O    -0.00797    0.00094   -0.03064
 70 O     0.00797    0.00094   -0.03064
 71 O    -0.00000    0.00801   -0.05113
 72 N    -0.00000    0.11325    0.24301
 73 N     0.00000   -0.21032    0.14299

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.568447   24.176035    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.495322   23.906963    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:24:05  -2.79   +inf  -414.230379    3      1      
iter:   2  08:26:12  -2.92  -2.62  -416.601716    3      1      
iter:   3  08:28:16  -3.25  -1.93  -414.152529    3      1      
iter:   4  08:30:24  -3.92  -3.22  -414.145671    3      1      
iter:   5  08:32:31  -4.13  -3.70  -414.139461    3      1      
iter:   6  08:34:31  -4.53  -3.75  -414.142718    3      1      
iter:   7  08:36:20  -5.09  -3.76  -414.141528    3      1      
iter:   8  08:38:23  -5.52  -3.98  -414.142152    2      1      
iter:   9  08:40:30  -5.82  -4.34  -414.142384    2      1      
iter:  10  08:42:36  -6.13  -3.86  -414.141676    2      1      
iter:  11  08:44:44  -5.87  -3.89  -414.141801    3      1      
iter:  12  08:46:50  -6.23  -4.31  -414.141659    2      1      
iter:  13  08:48:57  -6.41  -4.34  -414.141799    2      1      
iter:  14  08:51:04  -7.04  -4.55  -414.141769    2      1      
iter:  15  08:53:10  -7.30  -4.72  -414.141832    2      1      
iter:  16  08:55:17  -7.21  -4.67  -414.141892    2      1      
iter:  17  08:57:24  -7.58  -4.87  -414.141778    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962697, -32.545929, 0.036151) |e|*Ang

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

Kinetic:        +18.675244
Potential:     -137.316977
External:        +0.000000
XC:            -305.217387
Entropy (-ST):   -1.565640
Local:          +10.500163
--------------------------
Free energy:   -414.924598
Extrapolated:  -414.141778

Fermi level: -6.50404

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57404    0.14849
  0   340     -6.55832    0.14055
  0   341     -6.55722    0.13997
  0   342     -6.52764    0.12416

  1   339     -6.47888    0.19441
  1   340     -6.43018    0.14369
  1   341     -6.39620    0.11280
  1   342     -6.38678    0.10506



Forces in eV/Ang:
  0 O     0.00000   -0.01735    1.17442
  1 Pt    0.00000   -0.00253   -0.37355
  2 Pt    0.00000   -0.01903   -0.43313
  3 O    -1.68358    0.00024   -0.71838
  4 O     1.68358    0.00024   -0.71838
  5 O     0.00000   -0.01178   -1.38598
  6 O     0.00000   -0.00263    1.76668
  7 Pt   -0.00000    0.01394    0.45087
  8 Pt    0.00000   -0.03965    0.75233
  9 O    -1.58124    0.00050    0.05122
 10 O     1.58124    0.00050    0.05122
 11 O     0.00000   -0.00893   -0.56609
 12 O    -0.00000    0.00911    0.13862
 13 Pt   -0.00000    0.28016   -0.03949
 14 Pt    0.00000   -0.01957    0.00762
 15 O    -0.00092    0.01016    0.00315
 16 O     0.00092    0.01016    0.00315
 17 O    -0.00000    0.00892   -1.04731
 18 O    -0.00000    0.00262    0.02596
 19 Pt    0.00000   -0.02270    0.12533
 20 Pt    0.00000   -0.02451    0.16991
 21 O    -0.21131    0.38265    0.22519
 22 O     0.21131    0.38265    0.22519
 23 O     0.00000   -0.01697   -0.08787
 24 O     0.00000   -0.00104    1.15037
 25 Pt   -0.00000    0.01682   -0.37678
 26 Pt    0.00000   -0.00019   -0.43366
 27 O    -1.69218    0.01340   -0.71764
 28 O     1.69218    0.01340   -0.71764
 29 O    -0.00000    0.04623   -1.38728
 30 O     0.00000   -0.00462    1.83223
 31 Pt   -0.00000    0.01912    0.51037
 32 Pt    0.00000   -0.14273    0.57573
 33 O    -1.61454   -0.01898    0.07031
 34 O     1.61454   -0.01898    0.07031
 35 O     0.00000   -0.03242   -0.52504
 36 O    -0.00000    0.21610   -0.11406
 37 Pt    0.00000   -0.31469   -0.04195
 38 Pt    0.00000   -0.00418   -0.01101
 39 O     0.00978    0.01154    0.01517
 40 O    -0.00978    0.01154    0.01517
 41 O     0.00000   -0.00524    0.00498
 42 O    -0.00000    0.03221   -0.01715
 43 Pt    0.00000   -0.01092    0.06583
 44 Pt    0.00000   -0.07562   -0.00197
 45 O    -0.17205   -0.37734    0.12445
 46 O     0.17205   -0.37734    0.12445
 47 O     0.00000   -0.02210   -0.05629
 48 O    -0.00000    0.02227    1.17234
 49 Pt    0.00000   -0.02242   -0.37571
 50 Pt   -0.00000    0.02112   -0.43479
 51 O    -1.69143   -0.01395   -0.71792
 52 O     1.69143   -0.01395   -0.71792
 53 O     0.00000   -0.01153   -1.40473
 54 O     0.00000   -0.00201    1.77449
 55 Pt    0.00000   -0.01219    0.51630
 56 Pt   -0.00000    0.12343    0.65196
 57 O    -1.61425    0.01382    0.09128
 58 O     1.61425    0.01382    0.09128
 59 O     0.00000   -0.02119   -0.51645
 60 O     0.00000   -0.20713   -0.11365
 61 Pt   -0.00000    0.01459   -0.09321
 62 Pt   -0.00000    0.01713   -0.00730
 63 O    -0.01518   -0.00745    0.00259
 64 O     0.01518   -0.00745    0.00259
 65 O     0.00000    0.00013   -0.00146
 66 O     0.00000   -0.01288   -0.00352
 67 Pt   -0.00000    0.00858    0.02287
 68 Pt   -0.00000    0.15065    0.01809
 69 O    -0.00882    0.00122   -0.03237
 70 O     0.00882    0.00122   -0.03237
 71 O    -0.00000    0.00803   -0.05236
 72 N     0.00000   -0.11936    0.24285
 73 N    -0.00000    0.08671    0.16327

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.590796   24.175775    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.513578   23.918200    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:04:59  -2.76   +inf  -414.152266    3      1      
iter:   2  09:07:06  -3.52  -3.12  -414.349314    3      1      
iter:   3  09:09:13  -3.93  -2.43  -414.141701    3      1      
iter:   4  09:11:19  -4.40  -3.58  -414.145139    3      1      
iter:   5  09:13:12  -4.32  -3.60  -414.139280    3      1      
iter:   6  09:15:17  -4.84  -3.95  -414.140872    3      1      
iter:   7  09:17:24  -5.56  -4.22  -414.140884    2      1      
iter:   8  09:19:30  -5.70  -4.41  -414.140877    2      1      
iter:   9  09:21:37  -5.76  -4.04  -414.141437    2      1      
iter:  10  09:23:45  -5.74  -3.55  -414.140831    3      1      
iter:  11  09:25:51  -6.45  -4.48  -414.140523    2      1      
iter:  12  09:27:58  -6.77  -4.53  -414.140736    2      1      
iter:  13  09:30:05  -6.93  -4.77  -414.140722    2      1      
iter:  14  09:32:12  -7.10  -5.05  -414.140721    2      1      
iter:  15  09:34:18  -7.32  -4.94  -414.140737    2      1      
iter:  16  09:36:26  -7.89  -5.00  -414.140698    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962727, -32.543074, 0.034045) |e|*Ang

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

Kinetic:        +18.474629
Potential:     -137.166328
External:        +0.000000
XC:            -305.168877
Entropy (-ST):   -1.565547
Local:          +10.502652
--------------------------
Free energy:   -414.923471
Extrapolated:  -414.140698

Fermi level: -6.50588

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57563    0.14836
  0   340     -6.56018    0.14056
  0   341     -6.55908    0.13999
  0   342     -6.52941    0.12413

  1   339     -6.48060    0.19428
  1   340     -6.43207    0.14374
  1   341     -6.39808    0.11284
  1   342     -6.38875    0.10517



Forces in eV/Ang:
  0 O     0.00000   -0.01733    1.17428
  1 Pt    0.00000   -0.00256   -0.37417
  2 Pt    0.00000   -0.01900   -0.43354
  3 O    -1.68367    0.00024   -0.71839
  4 O     1.68367    0.00024   -0.71839
  5 O     0.00000   -0.01180   -1.38591
  6 O     0.00000   -0.00267    1.76607
  7 Pt   -0.00000    0.01391    0.45100
  8 Pt    0.00000   -0.03966    0.75208
  9 O    -1.58111    0.00052    0.05151
 10 O     1.58111    0.00052    0.05151
 11 O     0.00000   -0.00895   -0.56579
 12 O    -0.00000    0.00936    0.13958
 13 Pt   -0.00000    0.28225   -0.03873
 14 Pt    0.00000   -0.01950    0.00836
 15 O    -0.00088    0.01014    0.00366
 16 O     0.00088    0.01014    0.00366
 17 O    -0.00000    0.00941   -1.05471
 18 O    -0.00000    0.00263    0.02610
 19 Pt    0.00000   -0.02225    0.12738
 20 Pt    0.00000   -0.02506    0.17022
 21 O    -0.21202    0.38444    0.22574
 22 O     0.21202    0.38444    0.22574
 23 O     0.00000   -0.01713   -0.08854
 24 O     0.00000   -0.00104    1.15022
 25 Pt   -0.00000    0.01688   -0.37742
 26 Pt    0.00000   -0.00018   -0.43413
 27 O    -1.69229    0.01341   -0.71764
 28 O     1.69229    0.01341   -0.71764
 29 O    -0.00000    0.04614   -1.38745
 30 O     0.00000   -0.00463    1.83158
 31 Pt   -0.00000    0.01918    0.51054
 32 Pt    0.00000   -0.14245    0.57609
 33 O    -1.61438   -0.01900    0.07058
 34 O     1.61438   -0.01900    0.07058
 35 O     0.00000   -0.03241   -0.52460
 36 O    -0.00000    0.21737   -0.11444
 37 Pt    0.00000   -0.31716   -0.04148
 38 Pt    0.00000   -0.00414   -0.01059
 39 O     0.00975    0.01159    0.01565
 40 O    -0.00975    0.01159    0.01565
 41 O     0.00000   -0.00549    0.00819
 42 O    -0.00000    0.03234   -0.01726
 43 Pt    0.00000   -0.01141    0.06735
 44 Pt    0.00000   -0.07493   -0.00439
 45 O    -0.17347   -0.38061    0.12608
 46 O     0.17347   -0.38061    0.12608
 47 O     0.00000   -0.02214   -0.05694
 48 O    -0.00000    0.02225    1.17220
 49 Pt    0.00000   -0.02244   -0.37637
 50 Pt   -0.00000    0.02110   -0.43524
 51 O    -1.69155   -0.01397   -0.71792
 52 O     1.69155   -0.01397   -0.71792
 53 O     0.00000   -0.01141   -1.40484
 54 O     0.00000   -0.00196    1.77392
 55 Pt    0.00000   -0.01221    0.51653
 56 Pt   -0.00000    0.12314    0.65218
 57 O    -1.61407    0.01382    0.09152
 58 O     1.61407    0.01382    0.09152
 59 O     0.00000   -0.02118   -0.51608
 60 O     0.00000   -0.20870   -0.11379
 61 Pt   -0.00000    0.01511   -0.09324
 62 Pt   -0.00000    0.01700   -0.00681
 63 O    -0.01529   -0.00747    0.00298
 64 O     0.01529   -0.00747    0.00298
 65 O     0.00000    0.00030    0.00040
 66 O     0.00000   -0.01297   -0.00358
 67 Pt   -0.00000    0.00858    0.02375
 68 Pt   -0.00000    0.15050    0.01876
 69 O    -0.00915    0.00128   -0.03285
 70 O     0.00915    0.00128   -0.03285
 71 O    -0.00000    0.00821   -0.05270
 72 N     0.00000   -0.35747    0.21278
 73 N    -0.00000    0.25423    0.23409

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.612354   24.175611    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.532823   23.928645    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:48:24  -2.77   +inf  -414.158039    3      1      
iter:   2  09:50:31  -3.45  -3.02  -414.514206    3      1      
iter:   3  09:52:38  -3.86  -2.31  -414.143258    3      1      
iter:   4  09:54:38  -4.42  -3.68  -414.145277    3      1      
iter:   5  09:56:27  -4.40  -3.71  -414.139362    3      1      
iter:   6  09:58:31  -4.63  -3.70  -414.141687    3      1      
iter:   7  10:00:38  -5.56  -4.23  -414.142143    2      1      
iter:   8  10:02:46  -5.81  -4.46  -414.142074    2      1      
iter:   9  10:04:53  -6.00  -4.10  -414.142702    2      1      
iter:  10  10:06:59  -5.80  -3.56  -414.142598    2      1      
iter:  11  10:09:05  -6.15  -4.37  -414.141901    2      1      
iter:  12  10:11:12  -6.37  -4.68  -414.142011    2      1      
iter:  13  10:13:20  -7.01  -5.16  -414.142006    2      1      
iter:  14  10:15:26  -7.55  -5.23  -414.142023    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962771, -32.540733, 0.032152) |e|*Ang

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

Kinetic:        +18.467866
Potential:     -137.165118
External:        +0.000000
XC:            -305.164816
Entropy (-ST):   -1.565545
Local:          +10.502819
--------------------------
Free energy:   -414.924796
Extrapolated:  -414.142023

Fermi level: -6.50748

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57699    0.14825
  0   340     -6.56180    0.14057
  0   341     -6.56072    0.14001
  0   342     -6.53100    0.12412

  1   339     -6.48213    0.19421
  1   340     -6.43369    0.14377
  1   341     -6.39971    0.11287
  1   342     -6.39052    0.10531



Forces in eV/Ang:
  0 O     0.00000   -0.01733    1.17423
  1 Pt    0.00000   -0.00262   -0.37449
  2 Pt    0.00000   -0.01900   -0.43371
  3 O    -1.68364    0.00024   -0.71872
  4 O     1.68364    0.00024   -0.71872
  5 O     0.00000   -0.01181   -1.38598
  6 O     0.00000   -0.00266    1.76631
  7 Pt   -0.00000    0.01387    0.45106
  8 Pt    0.00000   -0.03964    0.75197
  9 O    -1.58097    0.00050    0.05144
 10 O     1.58097    0.00050    0.05144
 11 O     0.00000   -0.00893   -0.56536
 12 O    -0.00000    0.00926    0.14022
 13 Pt   -0.00000    0.28395   -0.03846
 14 Pt    0.00000   -0.01957    0.00883
 15 O    -0.00079    0.01009    0.00366
 16 O     0.00079    0.01009    0.00366
 17 O    -0.00000    0.00987   -1.06048
 18 O    -0.00000    0.00266    0.02673
 19 Pt    0.00000   -0.02182    0.13059
 20 Pt    0.00000   -0.02629    0.17429
 21 O    -0.21249    0.38595    0.22885
 22 O     0.21249    0.38595    0.22885
 23 O     0.00000   -0.01729   -0.08895
 24 O     0.00000   -0.00104    1.15018
 25 Pt   -0.00000    0.01695   -0.37773
 26 Pt    0.00000   -0.00016   -0.43434
 27 O    -1.69226    0.01341   -0.71797
 28 O     1.69226    0.01341   -0.71797
 29 O    -0.00000    0.04605   -1.38753
 30 O     0.00000   -0.00465    1.83182
 31 Pt   -0.00000    0.01921    0.51059
 32 Pt    0.00000   -0.14222    0.57626
 33 O    -1.61428   -0.01897    0.07051
 34 O     1.61428   -0.01897    0.07051
 35 O     0.00000   -0.03239   -0.52420
 36 O    -0.00000    0.21786   -0.11411
 37 Pt    0.00000   -0.31899   -0.04120
 38 Pt    0.00000   -0.00403   -0.00998
 39 O     0.00990    0.01164    0.01570
 40 O    -0.00990    0.01164    0.01570
 41 O     0.00000   -0.00541    0.00999
 42 O    -0.00000    0.03271   -0.01699
 43 Pt    0.00000   -0.01194    0.06998
 44 Pt    0.00000   -0.07397   -0.00730
 45 O    -0.17451   -0.38340    0.12986
 46 O     0.17451   -0.38340    0.12986
 47 O     0.00000   -0.02244   -0.05743
 48 O    -0.00000    0.02225    1.17215
 49 Pt    0.00000   -0.02245   -0.37670
 50 Pt   -0.00000    0.02108   -0.43545
 51 O    -1.69153   -0.01396   -0.71823
 52 O     1.69153   -0.01396   -0.71823
 53 O     0.00000   -0.01131   -1.40497
 54 O     0.00000   -0.00195    1.77415
 55 Pt    0.00000   -0.01221    0.51664
 56 Pt   -0.00000    0.12289    0.65240
 57 O    -1.61398    0.01381    0.09147
 58 O     1.61398    0.01381    0.09147
 59 O     0.00000   -0.02122   -0.51561
 60 O     0.00000   -0.20912   -0.11358
 61 Pt   -0.00000    0.01537   -0.09301
 62 Pt   -0.00000    0.01694   -0.00624
 63 O    -0.01521   -0.00747    0.00315
 64 O     0.01521   -0.00747    0.00315
 65 O     0.00000    0.00010    0.00113
 66 O     0.00000   -0.01330   -0.00323
 67 Pt   -0.00000    0.00870    0.02450
 68 Pt   -0.00000    0.15070    0.02102
 69 O    -0.00890    0.00142   -0.03162
 70 O     0.00890    0.00142   -0.03162
 71 O    -0.00000    0.00861   -0.05286
 72 N     0.00000   -0.29894    0.21195
 73 N    -0.00000    0.30065    0.22684

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.634054   24.176118    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.552312   23.939176    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:27:31  -2.77   +inf  -414.150504    2      1      
iter:   2  10:29:37  -3.55  -3.18  -414.306159    2      1      
iter:   3  10:31:44  -4.00  -2.48  -414.145533    3      1      
iter:   4  10:33:50  -4.19  -3.76  -414.141103    3      1      
iter:   5  10:35:57  -4.40  -3.71  -414.145177    3      1      
iter:   6  10:38:04  -4.99  -3.79  -414.143105    3      1      
iter:   7  10:40:10  -5.82  -4.33  -414.143277    2      1      
iter:   8  10:42:13  -5.71  -4.40  -414.143296    2      1      
iter:   9  10:44:09  -5.90  -4.18  -414.143405    2      1      
iter:  10  10:46:16  -6.14  -3.85  -414.143218    2      1      
iter:  11  10:48:23  -6.91  -4.70  -414.143259    2      1      
iter:  12  10:50:30  -7.32  -5.05  -414.143148    2      1      
iter:  13  10:52:37  -7.57  -5.01  -414.143333    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962791, -32.538406, 0.030017) |e|*Ang

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

Kinetic:        +18.461803
Potential:     -137.165213
External:        +0.000000
XC:            -305.158153
Entropy (-ST):   -1.565460
Local:          +10.500960
--------------------------
Free energy:   -414.926063
Extrapolated:  -414.143333

Fermi level: -6.50923

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57840    0.14807
  0   340     -6.56362    0.14060
  0   341     -6.56257    0.14006
  0   342     -6.53268    0.12408

  1   339     -6.48384    0.19416
  1   340     -6.43553    0.14384
  1   341     -6.40149    0.11289
  1   342     -6.39242    0.10542



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17426
  1 Pt    0.00000   -0.00264   -0.37456
  2 Pt    0.00000   -0.01904   -0.43395
  3 O    -1.68346    0.00027   -0.71862
  4 O     1.68346    0.00027   -0.71862
  5 O     0.00000   -0.01180   -1.38563
  6 O     0.00000   -0.00263    1.76729
  7 Pt   -0.00000    0.01377    0.45129
  8 Pt    0.00000   -0.03954    0.75192
  9 O    -1.58065    0.00040    0.05141
 10 O     1.58065    0.00040    0.05141
 11 O     0.00000   -0.00888   -0.56576
 12 O    -0.00000    0.00947    0.14052
 13 Pt   -0.00000    0.28583   -0.03835
 14 Pt    0.00000   -0.01966    0.00937
 15 O    -0.00064    0.01014    0.00346
 16 O     0.00064    0.01014    0.00346
 17 O    -0.00000    0.01009   -1.06697
 18 O    -0.00000    0.00233    0.02605
 19 Pt    0.00000   -0.02125    0.13143
 20 Pt    0.00000   -0.02658    0.17646
 21 O    -0.21303    0.38744    0.22939
 22 O     0.21303    0.38744    0.22939
 23 O     0.00000   -0.01753   -0.08965
 24 O     0.00000   -0.00107    1.15021
 25 Pt   -0.00000    0.01696   -0.37775
 26 Pt    0.00000   -0.00021   -0.43449
 27 O    -1.69205    0.01335   -0.71786
 28 O     1.69205    0.01335   -0.71786
 29 O    -0.00000    0.04600   -1.38713
 30 O     0.00000   -0.00457    1.83335
 31 Pt   -0.00000    0.01940    0.51087
 32 Pt    0.00000   -0.14185    0.57655
 33 O    -1.61397   -0.01881    0.07047
 34 O     1.61397   -0.01881    0.07047
 35 O     0.00000   -0.03233   -0.52459
 36 O    -0.00000    0.21890   -0.11516
 37 Pt    0.00000   -0.32122   -0.04139
 38 Pt    0.00000   -0.00413   -0.01020
 39 O     0.01006    0.01161    0.01543
 40 O    -0.01006    0.01161    0.01543
 41 O     0.00000   -0.00568    0.01395
 42 O    -0.00000    0.03284   -0.01776
 43 Pt    0.00000   -0.01257    0.07129
 44 Pt    0.00000   -0.07313   -0.00840
 45 O    -0.17576   -0.38613    0.13169
 46 O     0.17576   -0.38613    0.13169
 47 O     0.00000   -0.02258   -0.05797
 48 O    -0.00000    0.02233    1.17218
 49 Pt    0.00000   -0.02244   -0.37664
 50 Pt   -0.00000    0.02116   -0.43566
 51 O    -1.69130   -0.01394   -0.71811
 52 O     1.69130   -0.01394   -0.71811
 53 O     0.00000   -0.01127   -1.40461
 54 O     0.00000   -0.00204    1.77548
 55 Pt    0.00000   -0.01229    0.51693
 56 Pt   -0.00000    0.12240    0.65262
 57 O    -1.61373    0.01376    0.09136
 58 O     1.61373    0.01376    0.09136
 59 O     0.00000   -0.02134   -0.51602
 60 O     0.00000   -0.21041   -0.11427
 61 Pt   -0.00000    0.01587   -0.09363
 62 Pt   -0.00000    0.01713   -0.00619
 63 O    -0.01508   -0.00750    0.00276
 64 O     0.01508   -0.00750    0.00276
 65 O     0.00000    0.00041    0.00308
 66 O     0.00000   -0.01309   -0.00410
 67 Pt   -0.00000    0.00874    0.02460
 68 Pt   -0.00000    0.15067    0.02161
 69 O    -0.00946    0.00139   -0.03213
 70 O     0.00946    0.00139   -0.03213
 71 O    -0.00000    0.00898   -0.05334
 72 N     0.00000   -0.23697    0.14777
 73 N    -0.00000    0.26716    0.27621

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.655349   24.177059    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.571931   23.950129    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:08:14  -2.76   +inf  -414.144722    2      1      
iter:   2  11:10:21  -3.65  -3.58  -414.151295    3      1      
iter:   3  11:12:28  -4.18  -3.45  -414.149696    3      1      
iter:   4  11:14:35  -4.52  -3.19  -414.146427    3      1      
iter:   5  11:16:41  -4.32  -3.34  -414.145349    3      1      
iter:   6  11:18:48  -5.03  -3.88  -414.144882    2      1      
iter:   7  11:20:55  -5.54  -4.36  -414.144994    2      1      
iter:   8  11:23:02  -5.67  -4.44  -414.144207    3      1      
iter:   9  11:25:09  -5.67  -4.21  -414.145919    2      1      
iter:  10  11:27:16  -6.09  -3.97  -414.145064    2      1      
iter:  11  11:29:21  -6.53  -4.42  -414.144970    2      1      
iter:  12  11:31:27  -6.88  -4.78  -414.144981    2      1      
iter:  13  11:33:35  -7.13  -4.89  -414.144945    2      1      
iter:  14  11:35:42  -7.42  -5.18  -414.145002    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962806, -32.536204, 0.028383) |e|*Ang

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

Kinetic:        +18.526843
Potential:     -137.220644
External:        +0.000000
XC:            -305.166973
Entropy (-ST):   -1.565581
Local:          +10.498561
--------------------------
Free energy:   -414.927793
Extrapolated:  -414.145002

Fermi level: -6.51052

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57955    0.14801
  0   340     -6.56486    0.14058
  0   341     -6.56381    0.14004
  0   342     -6.53401    0.12410

  1   339     -6.48513    0.19416
  1   340     -6.43676    0.14380
  1   341     -6.40281    0.11291
  1   342     -6.39393    0.10560



Forces in eV/Ang:
  0 O     0.00000   -0.01734    1.17417
  1 Pt    0.00000   -0.00269   -0.37469
  2 Pt    0.00000   -0.01902   -0.43395
  3 O    -1.68331    0.00025   -0.71876
  4 O     1.68331    0.00025   -0.71876
  5 O     0.00000   -0.01182   -1.38620
  6 O     0.00000   -0.00272    1.76670
  7 Pt   -0.00000    0.01376    0.45078
  8 Pt    0.00000   -0.03963    0.75141
  9 O    -1.58083    0.00044    0.05125
 10 O     1.58083    0.00044    0.05125
 11 O     0.00000   -0.00895   -0.56672
 12 O    -0.00000    0.00961    0.14032
 13 Pt   -0.00000    0.28750   -0.03852
 14 Pt    0.00000   -0.01956    0.00933
 15 O    -0.00051    0.01011    0.00356
 16 O     0.00051    0.01011    0.00356
 17 O    -0.00000    0.01046   -1.07434
 18 O    -0.00000    0.00242    0.02667
 19 Pt    0.00000   -0.02092    0.13210
 20 Pt    0.00000   -0.02721    0.17588
 21 O    -0.21342    0.38890    0.23005
 22 O     0.21342    0.38890    0.23005
 23 O     0.00000   -0.01746   -0.08989
 24 O     0.00000   -0.00105    1.15006
 25 Pt   -0.00000    0.01703   -0.37794
 26 Pt    0.00000   -0.00019   -0.43461
 27 O    -1.69193    0.01339   -0.71803
 28 O     1.69193    0.01339   -0.71803
 29 O    -0.00000    0.04587   -1.38803
 30 O     0.00000   -0.00469    1.83266
 31 Pt   -0.00000    0.01939    0.51042
 32 Pt    0.00000   -0.14172    0.57671
 33 O    -1.61411   -0.01889    0.07031
 34 O     1.61411   -0.01889    0.07031
 35 O     0.00000   -0.03239   -0.52522
 36 O    -0.00000    0.21986   -0.11603
 37 Pt    0.00000   -0.32309   -0.04183
 38 Pt    0.00000   -0.00390   -0.01033
 39 O     0.01009    0.01174    0.01548
 40 O    -0.01009    0.01174    0.01548
 41 O     0.00000   -0.00583    0.01391
 42 O    -0.00000    0.03318   -0.01773
 43 Pt    0.00000   -0.01293    0.07217
 44 Pt    0.00000   -0.07202   -0.01048
 45 O    -0.17685   -0.38901    0.13426
 46 O     0.17685   -0.38901    0.13426
 47 O     0.00000   -0.02257   -0.05823
 48 O    -0.00000    0.02227    1.17205
 49 Pt    0.00000   -0.02246   -0.37691
 50 Pt   -0.00000    0.02113   -0.43572
 51 O    -1.69119   -0.01396   -0.71829
 52 O     1.69119   -0.01396   -0.71829
 53 O     0.00000   -0.01111   -1.40542
 54 O     0.00000   -0.00183    1.77489
 55 Pt    0.00000   -0.01227    0.51664
 56 Pt   -0.00000    0.12235    0.65264
 57 O    -1.61386    0.01379    0.09123
 58 O     1.61386    0.01379    0.09123
 59 O     0.00000   -0.02121   -0.51677
 60 O     0.00000   -0.21157   -0.11514
 61 Pt   -0.00000    0.01622   -0.09459
 62 Pt   -0.00000    0.01678   -0.00634
 63 O    -0.01527   -0.00759    0.00282
 64 O     0.01527   -0.00759    0.00282
 65 O     0.00000    0.00051    0.00178
 66 O     0.00000   -0.01344   -0.00388
 67 Pt   -0.00000    0.00881    0.02450
 68 Pt   -0.00000    0.15053    0.02183
 69 O    -0.00910    0.00140   -0.03201
 70 O     0.00910    0.00140   -0.03201
 71 O    -0.00000    0.00884   -0.05343
 72 N     0.00000   -0.19993    0.18110
 73 N    -0.00000    0.21763    0.23782

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.676030   24.178794    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.591476   23.960759    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:51:11  -2.77   +inf  -414.149921    3      1      
iter:   2  11:53:18  -3.65  -3.48  -414.176255    3      1      
iter:   3  11:55:24  -4.17  -2.83  -414.148881    2      1      
iter:   4  11:57:31  -4.20  -3.54  -414.148356    2      1      
iter:   5  11:59:38  -4.41  -3.71  -414.144899    3      1      
iter:   6  12:01:45  -5.12  -3.80  -414.146539    3      1      
iter:   7  12:03:52  -5.80  -4.26  -414.146612    2      1      
iter:   8  12:05:59  -5.65  -4.45  -414.146907    3      1      
iter:   9  12:08:06  -5.83  -4.09  -414.146886    2      1      
iter:  10  12:10:13  -5.80  -3.68  -414.146796    2      1      
iter:  11  12:12:18  -6.43  -4.32  -414.146446    2      1      
iter:  12  12:14:26  -7.15  -4.72  -414.146732    2      1      
iter:  13  12:16:33  -7.32  -4.79  -414.146559    2      1      
iter:  14  12:18:40  -7.27  -4.96  -414.146547    2      1      
iter:  15  12:20:47  -7.34  -5.28  -414.146565    2      1      
iter:  16  12:22:54  -7.67  -5.24  -414.146536    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962844, -32.534025, 0.026491) |e|*Ang

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

Kinetic:        +18.599850
Potential:     -137.277977
External:        +0.000000
XC:            -305.181267
Entropy (-ST):   -1.565772
Local:          +10.495743
--------------------------
Free energy:   -414.929422
Extrapolated:  -414.146536

Fermi level: -6.51238

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58142    0.14801
  0   340     -6.56655    0.14049
  0   341     -6.56550    0.13994
  0   342     -6.53599    0.12417

  1   339     -6.48695    0.19412
  1   340     -6.43850    0.14367
  1   341     -6.40465    0.11290
  1   342     -6.39604    0.10580



Forces in eV/Ang:
  0 O     0.00000   -0.01735    1.17403
  1 Pt    0.00000   -0.00270   -0.37478
  2 Pt    0.00000   -0.01901   -0.43409
  3 O    -1.68382    0.00023   -0.71855
  4 O     1.68382    0.00023   -0.71855
  5 O     0.00000   -0.01180   -1.38558
  6 O     0.00000   -0.00267    1.76487
  7 Pt   -0.00000    0.01386    0.45038
  8 Pt    0.00000   -0.03959    0.75106
  9 O    -1.58103    0.00056    0.05130
 10 O     1.58103    0.00056    0.05130
 11 O     0.00000   -0.00894   -0.56657
 12 O    -0.00000    0.00976    0.14046
 13 Pt   -0.00000    0.28897   -0.03956
 14 Pt    0.00000   -0.01966    0.00780
 15 O    -0.00071    0.01010    0.00329
 16 O     0.00071    0.01010    0.00329
 17 O    -0.00000    0.01062   -1.08210
 18 O    -0.00000    0.00271    0.02635
 19 Pt    0.00000   -0.02111    0.13375
 20 Pt    0.00000   -0.02639    0.18017
 21 O    -0.21359    0.38970    0.23054
 22 O     0.21359    0.38970    0.23054
 23 O     0.00000   -0.01666   -0.08780
 24 O     0.00000   -0.00103    1.14994
 25 Pt   -0.00000    0.01703   -0.37800
 26 Pt    0.00000   -0.00014   -0.43486
 27 O    -1.69244    0.01341   -0.71781
 28 O     1.69244    0.01341   -0.71781
 29 O    -0.00000    0.04582   -1.38759
 30 O     0.00000   -0.00472    1.83031
 31 Pt   -0.00000    0.01922    0.50991
 32 Pt    0.00000   -0.14160    0.57662
 33 O    -1.61432   -0.01904    0.07035
 34 O     1.61432   -0.01904    0.07035
 35 O     0.00000   -0.03243   -0.52536
 36 O    -0.00000    0.22071   -0.11651
 37 Pt    0.00000   -0.32484   -0.04314
 38 Pt    0.00000   -0.00384   -0.01138
 39 O     0.01002    0.01166    0.01518
 40 O    -0.01002    0.01166    0.01518
 41 O     0.00000   -0.00591    0.01188
 42 O    -0.00000    0.03338   -0.01783
 43 Pt    0.00000   -0.01296    0.07544
 44 Pt    0.00000   -0.07157   -0.00956
 45 O    -0.17832   -0.39152    0.13767
 46 O     0.17832   -0.39152    0.13767
 47 O     0.00000   -0.02285   -0.05696
 48 O    -0.00000    0.02227    1.17192
 49 Pt    0.00000   -0.02246   -0.37704
 50 Pt   -0.00000    0.02107   -0.43598
 51 O    -1.69176   -0.01396   -0.71807
 52 O     1.69176   -0.01396   -0.71807
 53 O     0.00000   -0.01109   -1.40492
 54 O     0.00000   -0.00188    1.77267
 55 Pt    0.00000   -0.01220    0.51602
 56 Pt   -0.00000    0.12217    0.65252
 57 O    -1.61401    0.01383    0.09118
 58 O     1.61401    0.01383    0.09118
 59 O     0.00000   -0.02117   -0.51669
 60 O     0.00000   -0.21263   -0.11540
 61 Pt   -0.00000    0.01664   -0.09624
 62 Pt   -0.00000    0.01681   -0.00758
 63 O    -0.01537   -0.00749    0.00258
 64 O     0.01537   -0.00749    0.00258
 65 O     0.00000    0.00061   -0.00106
 66 O     0.00000   -0.01383   -0.00408
 67 Pt   -0.00000    0.00890    0.02572
 68 Pt   -0.00000    0.15019    0.02348
 69 O    -0.00854    0.00156   -0.03158
 70 O     0.00854    0.00156   -0.03158
 71 O    -0.00000    0.00829   -0.05223
 72 N     0.00000   -0.20211    0.27810
 73 N    -0.00000    0.13975    0.27229

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.697131   24.180968    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.611609   23.971483    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:32:02  -2.75   +inf  -414.192073    3      1      
iter:   2  12:34:08  -3.19  -2.80  -415.240885    3      1      
iter:   3  12:36:16  -3.57  -2.09  -414.150801    3      1      
iter:   4  12:38:22  -4.28  -3.48  -414.153266    3      1      
iter:   5  12:40:29  -4.57  -3.73  -414.147613    3      1      
iter:   6  12:42:35  -4.55  -3.63  -414.148231    3      1      
iter:   7  12:44:40  -5.31  -3.93  -414.149258    3      1      
iter:   8  12:46:47  -5.36  -4.28  -414.150581    2      1      
iter:   9  12:48:54  -5.80  -3.59  -414.149156    2      1      
iter:  10  12:51:01  -5.84  -4.10  -414.150180    2      1      
iter:  11  12:53:08  -5.81  -4.09  -414.148486    3      1      
iter:  12  12:55:14  -6.01  -4.14  -414.149495    2      1      
iter:  13  12:57:22  -6.30  -4.55  -414.149250    2      1      
iter:  14  12:59:29  -6.82  -4.98  -414.149279    2      1      
iter:  15  13:01:25  -7.18  -4.54  -414.149223    2      1      
iter:  16  13:03:22  -7.37  -4.75  -414.149158    2      1      
iter:  17  13:05:28  -7.50  -5.09  -414.149227    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962855, -32.532217, 0.024976) |e|*Ang

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

Kinetic:        +18.720095
Potential:     -137.382006
External:        +0.000000
XC:            -305.198535
Entropy (-ST):   -1.565707
Local:          +10.494073
--------------------------
Free energy:   -414.932080
Extrapolated:  -414.149227

Fermi level: -6.51355

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58229    0.14787
  0   340     -6.56778    0.14052
  0   341     -6.56675    0.13999
  0   342     -6.53714    0.12416

  1   339     -6.48808    0.19407
  1   340     -6.43972    0.14372
  1   341     -6.40584    0.11292
  1   342     -6.39741    0.10596



Forces in eV/Ang:
  0 O     0.00000   -0.01735    1.17420
  1 Pt    0.00000   -0.00274   -0.37464
  2 Pt    0.00000   -0.01902   -0.43406
  3 O    -1.68374    0.00025   -0.71870
  4 O     1.68374    0.00025   -0.71870
  5 O     0.00000   -0.01180   -1.38574
  6 O     0.00000   -0.00266    1.76554
  7 Pt   -0.00000    0.01383    0.45045
  8 Pt    0.00000   -0.03960    0.75087
  9 O    -1.58091    0.00052    0.05119
 10 O     1.58091    0.00052    0.05119
 11 O     0.00000   -0.00894   -0.56643
 12 O    -0.00000    0.00982    0.14080
 13 Pt   -0.00000    0.29048   -0.03881
 14 Pt    0.00000   -0.01966    0.00883
 15 O    -0.00068    0.01015    0.00342
 16 O     0.00068    0.01015    0.00342
 17 O    -0.00000    0.01093   -1.08763
 18 O    -0.00000    0.00270    0.02645
 19 Pt    0.00000   -0.02095    0.13437
 20 Pt    0.00000   -0.02704    0.18015
 21 O    -0.21426    0.39087    0.23181
 22 O     0.21426    0.39087    0.23181
 23 O     0.00000   -0.01704   -0.08889
 24 O     0.00000   -0.00105    1.15011
 25 Pt   -0.00000    0.01708   -0.37786
 26 Pt    0.00000   -0.00017   -0.43478
 27 O    -1.69235    0.01338   -0.71795
 28 O     1.69235    0.01338   -0.71795
 29 O    -0.00000    0.04576   -1.38778
 30 O     0.00000   -0.00468    1.83129
 31 Pt   -0.00000    0.01927    0.50999
 32 Pt    0.00000   -0.14132    0.57663
 33 O    -1.61419   -0.01900    0.07024
 34 O     1.61419   -0.01900    0.07024
 35 O     0.00000   -0.03243   -0.52531
 36 O    -0.00000    0.22138   -0.11683
 37 Pt    0.00000   -0.32651   -0.04246
 38 Pt    0.00000   -0.00394   -0.01043
 39 O     0.01009    0.01162    0.01537
 40 O    -0.01009    0.01162    0.01537
 41 O     0.00000   -0.00602    0.01460
 42 O    -0.00000    0.03348   -0.01784
 43 Pt    0.00000   -0.01333    0.07578
 44 Pt    0.00000   -0.07054   -0.01357
 45 O    -0.17970   -0.39402    0.14024
 46 O     0.17970   -0.39402    0.14024
 47 O     0.00000   -0.02283   -0.05808
 48 O    -0.00000    0.02229    1.17209
 49 Pt    0.00000   -0.02248   -0.37686
 50 Pt   -0.00000    0.02110   -0.43592
 51 O    -1.69164   -0.01395   -0.71820
 52 O     1.69164   -0.01395   -0.71820
 53 O     0.00000   -0.01101   -1.40509
 54 O     0.00000   -0.00192    1.77359
 55 Pt    0.00000   -0.01222    0.51605
 56 Pt   -0.00000    0.12189    0.65246
 57 O    -1.61396    0.01383    0.09102
 58 O     1.61396    0.01383    0.09102
 59 O     0.00000   -0.02118   -0.51665
 60 O     0.00000   -0.21340   -0.11569
 61 Pt   -0.00000    0.01697   -0.09568
 62 Pt   -0.00000    0.01690   -0.00656
 63 O    -0.01532   -0.00748    0.00276
 64 O     0.01532   -0.00748    0.00276
 65 O     0.00000    0.00060    0.00035
 66 O     0.00000   -0.01386   -0.00406
 67 Pt   -0.00000    0.00912    0.02509
 68 Pt   -0.00000    0.15041    0.02311
 69 O    -0.00868    0.00172   -0.03160
 70 O     0.00868    0.00172   -0.03160
 71 O    -0.00000    0.00861   -0.05311
 72 N     0.00000   -0.00672    0.21642
 73 N     0.00000   -0.03352    0.26293

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.718323   24.183696    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.631984   23.982482    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:15:04  -2.74   +inf  -414.168939    3      1      
iter:   2  13:17:10  -3.39  -2.99  -414.596807    3      1      
iter:   3  13:19:18  -3.81  -2.27  -414.152271    3      1      
iter:   4  13:21:25  -4.43  -3.69  -414.153317    3      1      
iter:   5  13:23:31  -4.40  -3.76  -414.147402    3      1      
iter:   6  13:25:38  -4.57  -3.60  -414.150029    3      1      
iter:   7  13:27:44  -5.50  -4.10  -414.150560    2      1      
iter:   8  13:29:33  -5.72  -4.37  -414.150441    2      1      
iter:   9  13:31:39  -6.00  -4.15  -414.151041    2      1      
iter:  10  13:33:46  -5.74  -3.57  -414.151075    2      1      
iter:  11  13:35:53  -5.98  -4.35  -414.150295    3      1      
iter:  12  13:38:01  -6.21  -4.48  -414.150475    2      1      
iter:  13  13:40:07  -6.88  -4.82  -414.150467    2      1      
iter:  14  13:42:14  -7.09  -4.88  -414.150494    2      1      
iter:  15  13:44:21  -7.42  -4.92  -414.150534    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962873, -32.530577, 0.022868) |e|*Ang

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

Kinetic:        +18.842437
Potential:     -137.489078
External:        +0.000000
XC:            -305.215841
Entropy (-ST):   -1.565619
Local:          +10.494758
--------------------------
Free energy:   -414.933344
Extrapolated:  -414.150534

Fermi level: -6.51441

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58232    0.14745
  0   340     -6.56908    0.14075
  0   341     -6.56815    0.14027
  0   342     -6.53781    0.12405

  1   339     -6.48917    0.19433
  1   340     -6.44092    0.14406
  1   341     -6.40679    0.11299
  1   342     -6.39835    0.10603



Forces in eV/Ang:
  0 O     0.00000   -0.01736    1.17388
  1 Pt    0.00000   -0.00277   -0.37409
  2 Pt    0.00000   -0.01902   -0.43352
  3 O    -1.68112    0.00025   -0.71905
  4 O     1.68112    0.00025   -0.71905
  5 O     0.00000   -0.01180   -1.38645
  6 O     0.00000   -0.00265    1.77516
  7 Pt   -0.00000    0.01384    0.45399
  8 Pt    0.00000   -0.03963    0.75334
  9 O    -1.58057    0.00052    0.05185
 10 O     1.58057    0.00052    0.05185
 11 O     0.00000   -0.00894   -0.56516
 12 O    -0.00000    0.00970    0.14157
 13 Pt   -0.00000    0.29163   -0.03585
 14 Pt    0.00000   -0.01966    0.01088
 15 O    -0.00127    0.01021    0.00386
 16 O     0.00127    0.01021    0.00386
 17 O    -0.00000    0.01122   -1.08500
 18 O    -0.00000    0.00279    0.02627
 19 Pt    0.00000   -0.02051    0.13669
 20 Pt    0.00000   -0.02790    0.18240
 21 O    -0.21578    0.39277    0.23348
 22 O     0.21578    0.39277    0.23348
 23 O     0.00000   -0.01751   -0.09059
 24 O     0.00000   -0.00104    1.14979
 25 Pt   -0.00000    0.01714   -0.37730
 26 Pt    0.00000   -0.00016   -0.43427
 27 O    -1.68974    0.01339   -0.71831
 28 O     1.68974    0.01339   -0.71831
 29 O    -0.00000    0.04569   -1.38848
 30 O     0.00000   -0.00463    1.84088
 31 Pt   -0.00000    0.01927    0.51354
 32 Pt    0.00000   -0.14112    0.57932
 33 O    -1.61383   -0.01900    0.07090
 34 O     1.61383   -0.01900    0.07090
 35 O     0.00000   -0.03241   -0.52411
 36 O    -0.00000    0.22167   -0.11617
 37 Pt    0.00000   -0.32776   -0.03952
 38 Pt    0.00000   -0.00398   -0.00830
 39 O     0.00952    0.01160    0.01595
 40 O    -0.00952    0.01160    0.01595
 41 O     0.00000   -0.00580    0.02448
 42 O    -0.00000    0.03375   -0.01838
 43 Pt    0.00000   -0.01399    0.07751
 44 Pt    0.00000   -0.06932   -0.01729
 45 O    -0.18189   -0.39723    0.14306
 46 O     0.18189   -0.39723    0.14306
 47 O     0.00000   -0.02258   -0.05986
 48 O    -0.00000    0.02230    1.17177
 49 Pt    0.00000   -0.02250   -0.37632
 50 Pt   -0.00000    0.02108   -0.43541
 51 O    -1.68903   -0.01396   -0.71855
 52 O     1.68903   -0.01396   -0.71855
 53 O     0.00000   -0.01093   -1.40581
 54 O     0.00000   -0.00195    1.78320
 55 Pt    0.00000   -0.01222    0.51958
 56 Pt   -0.00000    0.12170    0.65513
 57 O    -1.61362    0.01383    0.09165
 58 O     1.61362    0.01383    0.09165
 59 O     0.00000   -0.02120   -0.51542
 60 O     0.00000   -0.21362   -0.11503
 61 Pt   -0.00000    0.01724   -0.09272
 62 Pt   -0.00000    0.01692   -0.00444
 63 O    -0.01577   -0.00753    0.00328
 64 O     0.01577   -0.00753    0.00328
 65 O     0.00000    0.00031    0.00938
 66 O     0.00000   -0.01418   -0.00449
 67 Pt   -0.00000    0.00934    0.02559
 68 Pt   -0.00000    0.15056    0.02385
 69 O    -0.00976    0.00190   -0.03136
 70 O     0.00976    0.00190   -0.03136
 71 O    -0.00000    0.00880   -0.05448
 72 N    -0.00000    0.04718    0.17948
 73 N     0.00000   -0.06761    0.11292

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.738690   24.187364    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.652890   23.991824    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:54:39  -2.74   +inf  -414.298828    3      1      
iter:   2  13:56:47  -2.71  -2.50  -418.221068    4      1      
iter:   3  13:58:53  -3.13  -1.83  -414.205955    3      1      
iter:   4  14:00:54  -3.55  -2.76  -414.159709    3      1      
iter:   5  14:02:43  -4.11  -3.51  -414.152958    3      1      
iter:   6  14:04:32  -4.34  -3.60  -414.151597    3      1      
iter:   7  14:06:35  -4.84  -3.83  -414.152355    3      1      
iter:   8  14:08:41  -5.04  -3.66  -414.152610    3      1      
iter:   9  14:10:49  -5.52  -4.28  -414.152442    2      1      
iter:  10  14:12:56  -5.75  -4.24  -414.153122    3      1      
iter:  11  14:15:03  -5.71  -4.16  -414.151465    3      1      
iter:  12  14:17:09  -5.93  -4.01  -414.152506    2      1      
iter:  13  14:19:15  -6.64  -4.58  -414.152558    2      1      
iter:  14  14:21:22  -7.07  -4.43  -414.152467    2      1      
iter:  15  14:23:28  -7.09  -4.72  -414.152459    2      1      
iter:  16  14:25:35  -6.79  -4.72  -414.152278    2      1      
iter:  17  14:27:42  -7.35  -4.85  -414.152348    2      1      
iter:  18  14:29:49  -7.63  -4.84  -414.152284    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962888, -32.529003, 0.021957) |e|*Ang

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

Kinetic:        +19.083108
Potential:     -137.688510
External:        +0.000000
XC:            -305.259132
Entropy (-ST):   -1.565995
Local:          +10.495247
--------------------------
Free energy:   -414.935282
Extrapolated:  -414.152284

Fermi level: -6.51597

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58440    0.14771
  0   340     -6.57014    0.14049
  0   341     -6.56914    0.13997
  0   342     -6.53970    0.12423

  1   339     -6.49059    0.19417
  1   340     -6.44206    0.14364
  1   341     -6.40827    0.11292
  1   342     -6.40031    0.10635



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17389
  1 Pt    0.00000   -0.00279   -0.37427
  2 Pt    0.00000   -0.01902   -0.43403
  3 O    -1.68333    0.00025   -0.71869
  4 O     1.68333    0.00025   -0.71869
  5 O     0.00000   -0.01179   -1.38558
  6 O     0.00000   -0.00265    1.76662
  7 Pt   -0.00000    0.01390    0.45099
  8 Pt    0.00000   -0.03961    0.75132
  9 O    -1.58136    0.00056    0.05159
 10 O     1.58136    0.00056    0.05159
 11 O     0.00000   -0.00893   -0.56630
 12 O    -0.00000    0.00986    0.14071
 13 Pt   -0.00000    0.29287   -0.03976
 14 Pt    0.00000   -0.01974    0.00766
 15 O    -0.00122    0.01023    0.00337
 16 O     0.00122    0.01023    0.00337
 17 O    -0.00000    0.01112   -1.09805
 18 O    -0.00000    0.00281    0.02684
 19 Pt    0.00000   -0.02055    0.13600
 20 Pt    0.00000   -0.02690    0.18603
 21 O    -0.21490    0.39294    0.23332
 22 O     0.21490    0.39294    0.23332
 23 O     0.00000   -0.01646   -0.08779
 24 O     0.00000   -0.00103    1.14980
 25 Pt   -0.00000    0.01716   -0.37747
 26 Pt    0.00000   -0.00015   -0.43480
 27 O    -1.69193    0.01338   -0.71795
 28 O     1.69193    0.01338   -0.71795
 29 O    -0.00000    0.04564   -1.38778
 30 O     0.00000   -0.00463    1.83228
 31 Pt   -0.00000    0.01920    0.51053
 32 Pt    0.00000   -0.14095    0.57761
 33 O    -1.61461   -0.01905    0.07063
 34 O     1.61461   -0.01905    0.07063
 35 O     0.00000   -0.03244   -0.52535
 36 O    -0.00000    0.22247   -0.11763
 37 Pt    0.00000   -0.32909   -0.04371
 38 Pt    0.00000   -0.00392   -0.01133
 39 O     0.00963    0.01154    0.01532
 40 O    -0.00963    0.01154    0.01532
 41 O     0.00000   -0.00607    0.01517
 42 O    -0.00000    0.03417   -0.01789
 43 Pt    0.00000   -0.01414    0.07941
 44 Pt    0.00000   -0.06827   -0.01633
 45 O    -0.18254   -0.39864    0.14663
 46 O     0.18254   -0.39864    0.14663
 47 O     0.00000   -0.02326   -0.05736
 48 O    -0.00000    0.02230    1.17178
 49 Pt    0.00000   -0.02250   -0.37650
 50 Pt   -0.00000    0.02109   -0.43596
 51 O    -1.69123   -0.01395   -0.71818
 52 O     1.69123   -0.01395   -0.71818
 53 O     0.00000   -0.01091   -1.40501
 54 O     0.00000   -0.00198    1.77460
 55 Pt    0.00000   -0.01221    0.51651
 56 Pt   -0.00000    0.12151    0.65329
 57 O    -1.61442    0.01384    0.09132
 58 O     1.61442    0.01384    0.09132
 59 O     0.00000   -0.02118   -0.51661
 60 O     0.00000   -0.21463   -0.11625
 61 Pt   -0.00000    0.01751   -0.09718
 62 Pt   -0.00000    0.01692   -0.00741
 63 O    -0.01570   -0.00749    0.00281
 64 O     0.01570   -0.00749    0.00281
 65 O     0.00000    0.00061   -0.00105
 66 O     0.00000   -0.01455   -0.00407
 67 Pt   -0.00000    0.00947    0.02498
 68 Pt   -0.00000    0.14998    0.02468
 69 O    -0.00824    0.00186   -0.03145
 70 O     0.00824    0.00186   -0.03145
 71 O    -0.00000    0.00836   -0.05275
 72 N    -0.00000    0.25972    0.26277
 73 N     0.00000   -0.31225    0.19258

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.760142   24.191145    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.673753   24.002451    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:34:27  -2.72   +inf  -414.184559    3      1      
iter:   2  14:36:23  -3.33  -2.92  -414.726567    3      1      
iter:   3  14:38:23  -3.70  -2.22  -414.156885    3      1      
iter:   4  14:40:30  -4.33  -3.22  -414.157978    3      1      
iter:   5  14:42:37  -4.62  -3.74  -414.152994    3      1      
iter:   6  14:44:43  -4.55  -3.80  -414.153099    2      1      
iter:   7  14:46:49  -5.45  -4.04  -414.154265    2      1      
iter:   8  14:48:56  -5.64  -4.25  -414.153953    2      1      
iter:   9  14:51:03  -5.78  -4.44  -414.154969    2      1      
iter:  10  14:53:09  -5.73  -3.56  -414.155187    2      1      
iter:  11  14:55:16  -5.90  -3.92  -414.153565    3      1      
iter:  12  14:57:22  -5.85  -4.21  -414.154192    2      1      
iter:  13  14:59:28  -6.46  -4.63  -414.154054    2      1      
iter:  14  15:01:36  -6.87  -4.82  -414.154052    2      1      
iter:  15  15:03:43  -7.24  -5.00  -414.154039    2      1      
iter:  16  15:05:50  -7.35  -4.56  -414.153978    2      1      
iter:  17  15:07:57  -7.78  -5.01  -414.154064    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962904, -32.527659, 0.020787) |e|*Ang

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

Kinetic:        +19.198615
Potential:     -137.793615
External:        +0.000000
XC:            -305.273506
Entropy (-ST):   -1.565679
Local:          +10.497282
--------------------------
Free energy:   -414.936903
Extrapolated:  -414.154064

Fermi level: -6.51698

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58500    0.14751
  0   340     -6.57125    0.14055
  0   341     -6.57029    0.14005
  0   342     -6.54062    0.12419

  1   339     -6.49143    0.19399
  1   340     -6.44321    0.14379
  1   341     -6.40925    0.11290
  1   342     -6.40144    0.10645



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17420
  1 Pt    0.00000   -0.00282   -0.37493
  2 Pt    0.00000   -0.01902   -0.43416
  3 O    -1.68338    0.00026   -0.71873
  4 O     1.68338    0.00026   -0.71873
  5 O     0.00000   -0.01178   -1.38580
  6 O     0.00000   -0.00265    1.76677
  7 Pt   -0.00000    0.01386    0.45100
  8 Pt    0.00000   -0.03964    0.75115
  9 O    -1.58073    0.00054    0.05135
 10 O     1.58073    0.00054    0.05135
 11 O     0.00000   -0.00892   -0.56612
 12 O    -0.00000    0.00992    0.14113
 13 Pt   -0.00000    0.29419   -0.03825
 14 Pt    0.00000   -0.01971    0.00927
 15 O    -0.00080    0.01024    0.00345
 16 O     0.00080    0.01024    0.00345
 17 O    -0.00000    0.01130   -1.10039
 18 O    -0.00000    0.00282    0.02654
 19 Pt    0.00000   -0.02031    0.13725
 20 Pt    0.00000   -0.02760    0.18593
 21 O    -0.21572    0.39418    0.23392
 22 O     0.21572    0.39418    0.23392
 23 O     0.00000   -0.01717   -0.08955
 24 O     0.00000   -0.00104    1.15010
 25 Pt   -0.00000    0.01719   -0.37813
 26 Pt    0.00000   -0.00016   -0.43493
 27 O    -1.69199    0.01338   -0.71799
 28 O     1.69199    0.01338   -0.71799
 29 O    -0.00000    0.04558   -1.38807
 30 O     0.00000   -0.00461    1.83256
 31 Pt   -0.00000    0.01926    0.51056
 32 Pt    0.00000   -0.14071    0.57766
 33 O    -1.61397   -0.01903    0.07038
 34 O     1.61397   -0.01903    0.07038
 35 O     0.00000   -0.03243   -0.52518
 36 O    -0.00000    0.22310   -0.11784
 37 Pt    0.00000   -0.33057   -0.04227
 38 Pt    0.00000   -0.00397   -0.00991
 39 O     0.01004    0.01157    0.01545
 40 O    -0.01004    0.01157    0.01545
 41 O     0.00000   -0.00614    0.02011
 42 O    -0.00000    0.03422   -0.01829
 43 Pt    0.00000   -0.01460    0.07997
 44 Pt    0.00000   -0.06681   -0.02090
 45 O    -0.18390   -0.40105    0.14833
 46 O     0.18390   -0.40105    0.14833
 47 O     0.00000   -0.02289   -0.05912
 48 O    -0.00000    0.02231    1.17208
 49 Pt    0.00000   -0.02251   -0.37715
 50 Pt   -0.00000    0.02109   -0.43609
 51 O    -1.69128   -0.01395   -0.71821
 52 O     1.69128   -0.01395   -0.71821
 53 O     0.00000   -0.01084   -1.40528
 54 O     0.00000   -0.00199    1.77489
 55 Pt    0.00000   -0.01223    0.51653
 56 Pt   -0.00000    0.12127    0.65329
 57 O    -1.61381    0.01384    0.09105
 58 O     1.61381    0.01384    0.09105
 59 O     0.00000   -0.02120   -0.51644
 60 O     0.00000   -0.21539   -0.11635
 61 Pt   -0.00000    0.01787   -0.09599
 62 Pt   -0.00000    0.01693   -0.00600
 63 O    -0.01531   -0.00752    0.00285
 64 O     0.01531   -0.00752    0.00285
 65 O     0.00000    0.00061    0.00276
 66 O     0.00000   -0.01455   -0.00444
 67 Pt   -0.00000    0.00967    0.02507
 68 Pt   -0.00000    0.15005    0.02412
 69 O    -0.00883    0.00201   -0.03205
 70 O     0.00883    0.00201   -0.03205
 71 O    -0.00000    0.00864   -0.05401
 72 N    -0.00000    0.31617    0.19566
 73 N     0.00000   -0.39680    0.12780

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.780995   24.194613    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.693800   24.012648    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:15:48  -2.76   +inf  -414.155406    3      1      
iter:   2  15:17:55  -3.68  -3.59  -414.162845    3      1      
iter:   3  15:20:01  -4.24  -3.38  -414.161254    3      1      
iter:   4  15:22:03  -4.60  -3.19  -414.155928    3      1      
iter:   5  15:23:55  -4.34  -3.43  -414.156045    3      1      
iter:   6  15:26:03  -5.03  -3.86  -414.155582    2      1      
iter:   7  15:28:09  -5.54  -4.38  -414.155712    2      1      
iter:   8  15:30:17  -5.65  -4.41  -414.154765    3      1      
iter:   9  15:32:24  -5.65  -4.14  -414.156529    2      1      
iter:  10  15:34:30  -6.14  -4.00  -414.155788    2      1      
iter:  11  15:36:36  -6.62  -4.50  -414.155680    2      1      
iter:  12  15:38:43  -6.94  -4.80  -414.155677    2      1      
iter:  13  15:40:49  -7.19  -4.88  -414.155640    2      1      
iter:  14  15:42:56  -7.37  -5.13  -414.155720    2      1      
iter:  15  15:45:01  -7.73  -5.15  -414.155561    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962908, -32.526357, 0.019990) |e|*Ang

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

Kinetic:        +19.254192
Potential:     -137.846265
External:        +0.000000
XC:            -305.278085
Entropy (-ST):   -1.566076
Local:          +10.497635
--------------------------
Free energy:   -414.938599
Extrapolated:  -414.155561

Fermi level: -6.51751

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58562    0.14755
  0   340     -6.57162    0.14046
  0   341     -6.57064    0.13995
  0   342     -6.54133    0.12428

  1   339     -6.49207    0.19411
  1   340     -6.44357    0.14361
  1   341     -6.40980    0.11292
  1   342     -6.40227    0.10669



Forces in eV/Ang:
  0 O     0.00000   -0.01738    1.17427
  1 Pt    0.00000   -0.00283   -0.37412
  2 Pt    0.00000   -0.01903   -0.43317
  3 O    -1.68330    0.00026   -0.71851
  4 O     1.68330    0.00026   -0.71851
  5 O     0.00000   -0.01178   -1.38571
  6 O     0.00000   -0.00268    1.76640
  7 Pt   -0.00000    0.01377    0.45085
  8 Pt    0.00000   -0.03964    0.75126
  9 O    -1.58120    0.00047    0.05134
 10 O     1.58120    0.00047    0.05134
 11 O     0.00000   -0.00893   -0.56697
 12 O    -0.00000    0.01008    0.14132
 13 Pt   -0.00000    0.29558   -0.03955
 14 Pt    0.00000   -0.01969    0.00819
 15 O    -0.00078    0.01029    0.00329
 16 O     0.00078    0.01029    0.00329
 17 O    -0.00000    0.01137   -1.10901
 18 O    -0.00000    0.00268    0.02703
 19 Pt    0.00000   -0.01998    0.13584
 20 Pt    0.00000   -0.02812    0.18581
 21 O    -0.21533    0.39488    0.23368
 22 O     0.21533    0.39488    0.23368
 23 O     0.00000   -0.01743   -0.08986
 24 O     0.00000   -0.00104    1.15014
 25 Pt   -0.00000    0.01721   -0.37730
 26 Pt    0.00000   -0.00017   -0.43393
 27 O    -1.69190    0.01337   -0.71777
 28 O     1.69190    0.01337   -0.71777
 29 O    -0.00000    0.04550   -1.38801
 30 O     0.00000   -0.00462    1.83246
 31 Pt   -0.00000    0.01938    0.51048
 32 Pt    0.00000   -0.14050    0.57819
 33 O    -1.61443   -0.01893    0.07039
 34 O     1.61443   -0.01893    0.07039
 35 O     0.00000   -0.03241   -0.52580
 36 O    -0.00000    0.22373   -0.11851
 37 Pt    0.00000   -0.33218   -0.04389
 38 Pt    0.00000   -0.00391   -0.01147
 39 O     0.00997    0.01159    0.01525
 40 O    -0.00997    0.01159    0.01525
 41 O     0.00000   -0.00639    0.01672
 42 O    -0.00000    0.03440   -0.01813
 43 Pt    0.00000   -0.01502    0.07905
 44 Pt    0.00000   -0.06529   -0.02427
 45 O    -0.18427   -0.40264    0.15015
 46 O     0.18427   -0.40264    0.15015
 47 O     0.00000   -0.02291   -0.05934
 48 O    -0.00000    0.02232    1.17213
 49 Pt    0.00000   -0.02252   -0.37632
 50 Pt   -0.00000    0.02111   -0.43511
 51 O    -1.69119   -0.01395   -0.71798
 52 O     1.69119   -0.01395   -0.71798
 53 O     0.00000   -0.01077   -1.40520
 54 O     0.00000   -0.00195    1.77472
 55 Pt    0.00000   -0.01226    0.51656
 56 Pt   -0.00000    0.12105    0.65369
 57 O    -1.61428    0.01381    0.09105
 58 O     1.61428    0.01381    0.09105
 59 O     0.00000   -0.02121   -0.51712
 60 O     0.00000   -0.21623   -0.11675
 61 Pt   -0.00000    0.01827   -0.09806
 62 Pt   -0.00000    0.01683   -0.00744
 63 O    -0.01557   -0.00758    0.00261
 64 O     0.01557   -0.00758    0.00261
 65 O     0.00000    0.00091   -0.00193
 66 O     0.00000   -0.01452   -0.00422
 67 Pt   -0.00000    0.00979    0.02312
 68 Pt   -0.00000    0.14967    0.02258
 69 O    -0.00831    0.00193   -0.03287
 70 O     0.00831    0.00193   -0.03287
 71 O    -0.00000    0.00887   -0.05419
 72 N    -0.00000    0.40867    0.19610
 73 N     0.00000   -0.40771    0.13802

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.803388   24.199098    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.714861   24.023720    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:54:53  -2.71   +inf  -414.181852    3      1      
iter:   2  15:57:01  -3.39  -2.98  -414.586057    3      1      
iter:   3  15:59:08  -3.79  -2.28  -414.159927    3      1      
iter:   4  16:01:14  -4.38  -3.29  -414.161920    3      1      
iter:   5  16:03:20  -4.44  -3.71  -414.156307    3      1      
iter:   6  16:05:26  -4.45  -3.79  -414.157365    3      1      
iter:   7  16:07:34  -5.52  -4.16  -414.158257    2      1      
iter:   8  16:09:25  -5.79  -4.33  -414.157844    2      1      
iter:   9  16:11:21  -5.78  -4.44  -414.159765    2      1      
iter:  10  16:13:28  -5.57  -3.46  -414.159384    2      1      
iter:  11  16:15:35  -5.88  -3.83  -414.157657    3      1      
iter:  12  16:17:41  -5.97  -4.36  -414.157851    2      1      
iter:  13  16:19:48  -6.54  -4.81  -414.157879    2      1      
iter:  14  16:21:55  -7.11  -5.09  -414.157962    2      1      
iter:  15  16:24:01  -7.42  -5.00  -414.157904    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962929, -32.525032, 0.017942) |e|*Ang

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

Kinetic:        +19.191984
Potential:     -137.803014
External:        +0.000000
XC:            -305.261820
Entropy (-ST):   -1.565888
Local:          +10.497890
--------------------------
Free energy:   -414.940848
Extrapolated:  -414.157904

Fermi level: -6.51885

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58635    0.14725
  0   340     -6.57328    0.14062
  0   341     -6.57237    0.14015
  0   342     -6.54257    0.12422

  1   339     -6.49343    0.19412
  1   340     -6.44517    0.14387
  1   341     -6.41120    0.11296
  1   342     -6.40371    0.10677



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17410
  1 Pt    0.00000   -0.00285   -0.37418
  2 Pt    0.00000   -0.01901   -0.43336
  3 O    -1.68183    0.00025   -0.71871
  4 O     1.68183    0.00025   -0.71871
  5 O     0.00000   -0.01179   -1.38590
  6 O     0.00000   -0.00274    1.77211
  7 Pt   -0.00000    0.01376    0.45264
  8 Pt    0.00000   -0.03973    0.75216
  9 O    -1.58078    0.00053    0.05163
 10 O     1.58078    0.00053    0.05163
 11 O     0.00000   -0.00897   -0.56615
 12 O    -0.00000    0.01007    0.14168
 13 Pt   -0.00000    0.29673   -0.03704
 14 Pt    0.00000   -0.01960    0.01018
 15 O    -0.00094    0.01023    0.00359
 16 O     0.00094    0.01023    0.00359
 17 O    -0.00000    0.01152   -1.10733
 18 O    -0.00000    0.00291    0.02644
 19 Pt    0.00000   -0.01981    0.13828
 20 Pt    0.00000   -0.02779    0.19011
 21 O    -0.21650    0.39623    0.23460
 22 O     0.21650    0.39623    0.23460
 23 O     0.00000   -0.01762   -0.09036
 24 O     0.00000   -0.00103    1.14997
 25 Pt   -0.00000    0.01725   -0.37740
 26 Pt    0.00000   -0.00015   -0.43424
 27 O    -1.69044    0.01340   -0.71798
 28 O     1.69044    0.01340   -0.71798
 29 O    -0.00000    0.04542   -1.38835
 30 O     0.00000   -0.00469    1.83794
 31 Pt   -0.00000    0.01941    0.51231
 32 Pt    0.00000   -0.14040    0.57938
 33 O    -1.61399   -0.01900    0.07070
 34 O     1.61399   -0.01900    0.07070
 35 O     0.00000   -0.03244   -0.52488
 36 O    -0.00000    0.22415   -0.11837
 37 Pt    0.00000   -0.33351   -0.04145
 38 Pt    0.00000   -0.00381   -0.00949
 39 O     0.00974    0.01172    0.01567
 40 O    -0.00974    0.01172    0.01567
 41 O     0.00000   -0.00616    0.02393
 42 O    -0.00000    0.03441   -0.01899
 43 Pt    0.00000   -0.01551    0.08191
 44 Pt    0.00000   -0.06508   -0.02524
 45 O    -0.18640   -0.40525    0.15301
 46 O     0.18640   -0.40525    0.15301
 47 O     0.00000   -0.02297   -0.06000
 48 O    -0.00000    0.02230    1.17195
 49 Pt    0.00000   -0.02254   -0.37650
 50 Pt   -0.00000    0.02107   -0.43537
 51 O    -1.68976   -0.01397   -0.71821
 52 O     1.68976   -0.01397   -0.71821
 53 O     0.00000   -0.01067   -1.40546
 54 O     0.00000   -0.00181    1.78033
 55 Pt    0.00000   -0.01227    0.51843
 56 Pt   -0.00000    0.12102    0.65480
 57 O    -1.61382    0.01383    0.09137
 58 O     1.61382    0.01383    0.09137
 59 O     0.00000   -0.02116   -0.51623
 60 O     0.00000   -0.21671   -0.11650
 61 Pt   -0.00000    0.01862   -0.09589
 62 Pt   -0.00000    0.01662   -0.00550
 63 O    -0.01586   -0.00765    0.00294
 64 O     0.01586   -0.00765    0.00294
 65 O     0.00000    0.00071    0.00451
 66 O     0.00000   -0.01467   -0.00497
 67 Pt   -0.00000    0.01006    0.02414
 68 Pt   -0.00000    0.15000    0.02355
 69 O    -0.00899    0.00219   -0.03279
 70 O     0.00899    0.00219   -0.03279
 71 O    -0.00000    0.00907   -0.05483
 72 N    -0.00000    0.34457    0.21225
 73 N     0.00000   -0.35921    0.14204

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          O Pt   O   PtO           
             O                     
        O     O    PtO             
         PtO Pt                    
               OPt O     O         
       Pt   O     O Pt             
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.825545   24.202603    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.735920   24.034966    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:34:07  -2.72   +inf  -414.212038    3      1      
iter:   2  16:36:14  -3.08  -2.72  -415.693437    3      1      
iter:   3  16:38:12  -3.47  -2.02  -414.168865    3      1      
iter:   4  16:40:01  -4.02  -3.15  -414.164244    3      1      
iter:   5  16:41:50  -4.28  -3.74  -414.158364    3      1      
iter:   6  16:43:50  -4.42  -3.55  -414.159845    3      1      
iter:   7  16:45:59  -5.29  -3.84  -414.160120    2      1      
iter:   8  16:48:05  -5.61  -4.01  -414.160390    2      1      
iter:   9  16:50:12  -5.86  -4.30  -414.160616    2      1      
iter:  10  16:52:19  -5.71  -3.82  -414.160389    3      1      
iter:  11  16:54:27  -5.84  -4.23  -414.160406    2      1      
iter:  12  16:56:34  -6.51  -4.75  -414.160194    2      1      
iter:  13  16:58:41  -7.09  -4.76  -414.160414    2      1      
iter:  14  17:00:48  -7.34  -4.76  -414.160320    2      1      
iter:  15  17:02:55  -7.17  -4.70  -414.160284    2      1      
iter:  16  17:05:02  -7.37  -4.39  -414.160277    2      1      
iter:  17  17:07:09  -7.68  -4.93  -414.160268    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962950, -32.523488, 0.017065) |e|*Ang

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

Kinetic:        +19.198329
Potential:     -137.810936
External:        +0.000000
XC:            -305.259753
Entropy (-ST):   -1.565988
Local:          +10.495086
--------------------------
Free energy:   -414.943262
Extrapolated:  -414.160268

Fermi level: -6.52024

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58795    0.14735
  0   340     -6.57432    0.14045
  0   341     -6.57337    0.13995
  0   342     -6.54412    0.12432

  1   339     -6.49465    0.19395
  1   340     -6.44630    0.14362
  1   341     -6.41250    0.11290
  1   342     -6.40536    0.10699



Forces in eV/Ang:
  0 O     0.00000   -0.01739    1.17411
  1 Pt    0.00000   -0.00287   -0.37458
  2 Pt    0.00000   -0.01902   -0.43388
  3 O    -1.68373    0.00025   -0.71855
  4 O     1.68373    0.00025   -0.71855
  5 O     0.00000   -0.01177   -1.38526
  6 O     0.00000   -0.00268    1.76551
  7 Pt   -0.00000    0.01381    0.45056
  8 Pt    0.00000   -0.03968    0.75085
  9 O    -1.58096    0.00055    0.05159
 10 O     1.58096    0.00055    0.05159
 11 O     0.00000   -0.00893   -0.56654
 12 O    -0.00000    0.01024    0.14160
 13 Pt   -0.00000    0.29797   -0.03897
 14 Pt    0.00000   -0.01972    0.00844
 15 O    -0.00079    0.01026    0.00352
 16 O     0.00079    0.01026    0.00352
 17 O    -0.00000    0.01160   -1.11709
 18 O    -0.00000    0.00292    0.02705
 19 Pt    0.00000   -0.01979    0.13843
 20 Pt    0.00000   -0.02776    0.19259
 21 O    -0.21630    0.39665    0.23492
 22 O     0.21630    0.39665    0.23492
 23 O     0.00000   -0.01720   -0.08914
 24 O     0.00000   -0.00102    1.15000
 25 Pt   -0.00000    0.01726   -0.37776
 26 Pt    0.00000   -0.00015   -0.43474
 27 O    -1.69232    0.01338   -0.71781
 28 O     1.69232    0.01338   -0.71781
 29 O    -0.00000    0.04539   -1.38782
 30 O     0.00000   -0.00464    1.83131
 31 Pt   -0.00000    0.01932    0.51017
 32 Pt    0.00000   -0.14019    0.57825
 33 O    -1.61417   -0.01904    0.07063
 34 O     1.61417   -0.01904    0.07063
 35 O     0.00000   -0.03244   -0.52547
 36 O    -0.00000    0.22492   -0.11901
 37 Pt    0.00000   -0.33488   -0.04365
 38 Pt    0.00000   -0.00387   -0.01101
 39 O     0.01004    0.01162    0.01550
 40 O    -0.01004    0.01162    0.01550
 41 O     0.00000   -0.00639    0.01967
 42 O    -0.00000    0.03473   -0.01832
 43 Pt    0.00000   -0.01570    0.08316
 44 Pt    0.00000   -0.06365   -0.02734
 45 O    -0.18737   -0.40706    0.15631
 46 O     0.18737   -0.40706    0.15631
 47 O     0.00000   -0.02307   -0.05927
 48 O    -0.00000    0.02232    1.17199
 49 Pt    0.00000   -0.02254   -0.37685
 50 Pt   -0.00000    0.02108   -0.43591
 51 O    -1.69164   -0.01395   -0.71802
 52 O     1.69164   -0.01395   -0.71802
 53 O     0.00000   -0.01065   -1.40490
 54 O     0.00000   -0.00193    1.77367
 55 Pt    0.00000   -0.01224    0.51620
 56 Pt   -0.00000    0.12074    0.65359
 57 O    -1.61404    0.01383    0.09121
 58 O     1.61404    0.01383    0.09121
 59 O     0.00000   -0.02118   -0.51674
 60 O     0.00000   -0.21770   -0.11699
 61 Pt   -0.00000    0.01891   -0.09825
 62 Pt   -0.00000    0.01679   -0.00702
 63 O    -0.01551   -0.00756    0.00285
 64 O     0.01551   -0.00756    0.00285
 65 O     0.00000    0.00091   -0.00087
 66 O     0.00000   -0.01497   -0.00440
 67 Pt   -0.00000    0.01018    0.02405
 68 Pt   -0.00000    0.14950    0.02446
 69 O    -0.00837    0.00227   -0.03274
 70 O     0.00837    0.00227   -0.03274
 71 O    -0.00000    0.00873   -0.05405
 72 N    -0.00000    0.38818    0.20167
 73 N     0.00000   -0.37195    0.17094

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          O Pt   O   PtO           
             O                     
        O     O    PtO             
         PtO Pt                    
               OPt O     O         
       Pt   O     O Pt             
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.849178   24.208799    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.757613   24.047805    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:13:05  -2.66   +inf  -414.178093    3      1      
iter:   2  17:15:11  -3.42  -3.03  -414.497202    3      1      
iter:   3  17:17:18  -3.87  -2.33  -414.166461    3      1      
iter:   4  17:19:24  -4.27  -3.67  -414.165136    3      1      
iter:   5  17:21:32  -4.20  -3.94  -414.161505    3      1      
iter:   6  17:23:38  -5.00  -3.77  -414.163895    3      1      
iter:   7  17:25:44  -5.69  -4.17  -414.163859    2      1      
iter:   8  17:27:51  -5.46  -4.32  -414.163700    2      1      
iter:   9  17:29:58  -5.62  -4.11  -414.164385    2      1      
iter:  10  17:31:51  -5.79  -3.61  -414.163805    2      1      
iter:  11  17:33:40  -6.58  -4.49  -414.163619    2      1      
iter:  12  17:35:29  -6.91  -4.73  -414.163860    2      1      
iter:  13  17:37:23  -7.49  -4.88  -414.163718    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962954, -32.522285, 0.016038) |e|*Ang

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

Kinetic:        +18.990813
Potential:     -137.645553
External:        +0.000000
XC:            -305.217866
Entropy (-ST):   -1.566070
Local:          +10.491922
--------------------------
Free energy:   -414.946753
Extrapolated:  -414.163718

Fermi level: -6.52078

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58819    0.14720
  0   340     -6.57491    0.14047
  0   341     -6.57400    0.14000
  0   342     -6.54470    0.12434

  1   339     -6.49526    0.19401
  1   340     -6.44689    0.14366
  1   341     -6.41308    0.11291
  1   342     -6.40611    0.10715



Forces in eV/Ang:
  0 O     0.00000   -0.01743    1.17437
  1 Pt    0.00000   -0.00289   -0.37436
  2 Pt    0.00000   -0.01905   -0.43314
  3 O    -1.68336    0.00028   -0.71866
  4 O     1.68336    0.00028   -0.71866
  5 O     0.00000   -0.01175   -1.38553
  6 O     0.00000   -0.00264    1.76709
  7 Pt   -0.00000    0.01383    0.45126
  8 Pt    0.00000   -0.03966    0.75177
  9 O    -1.58089    0.00050    0.05129
 10 O     1.58089    0.00050    0.05129
 11 O     0.00000   -0.00887   -0.56564
 12 O    -0.00000    0.00978    0.14180
 13 Pt   -0.00000    0.29878   -0.03887
 14 Pt    0.00000   -0.01976    0.00847
 15 O    -0.00099    0.01033    0.00328
 16 O     0.00099    0.01033    0.00328
 17 O    -0.00000    0.01164   -1.11919
 18 O    -0.00000    0.00321    0.02779
 19 Pt    0.00000   -0.01951    0.13984
 20 Pt    0.00000   -0.02548    0.20290
 21 O    -0.21684    0.39753    0.23633
 22 O     0.21684    0.39753    0.23633
 23 O     0.00000   -0.01743   -0.08988
 24 O     0.00000   -0.00104    1.15026
 25 Pt   -0.00000    0.01729   -0.37748
 26 Pt    0.00000   -0.00018   -0.43393
 27 O    -1.69194    0.01332   -0.71792
 28 O     1.69194    0.01332   -0.71792
 29 O    -0.00000    0.04534   -1.38780
 30 O     0.00000   -0.00452    1.83330
 31 Pt   -0.00000    0.01934    0.51090
 32 Pt    0.00000   -0.13995    0.57895
 33 O    -1.61412   -0.01895    0.07033
 34 O     1.61412   -0.01895    0.07033
 35 O     0.00000   -0.03238   -0.52482
 36 O    -0.00000    0.22469   -0.11812
 37 Pt    0.00000   -0.33530   -0.04305
 38 Pt    0.00000   -0.00399   -0.01053
 39 O     0.00995    0.01162    0.01545
 40 O    -0.00995    0.01162    0.01545
 41 O     0.00000   -0.00586    0.02243
 42 O    -0.00000    0.03509   -0.01814
 43 Pt    0.00000   -0.01640    0.08581
 44 Pt    0.00000   -0.06574   -0.02553
 45 O    -0.18969   -0.40932    0.16069
 46 O     0.18969   -0.40932    0.16069
 47 O     0.00000   -0.02355   -0.05997
 48 O    -0.00000    0.02238    1.17223
 49 Pt    0.00000   -0.02254   -0.37651
 50 Pt   -0.00000    0.02114   -0.43515
 51 O    -1.69124   -0.01392   -0.71811
 52 O     1.69124   -0.01392   -0.71811
 53 O     0.00000   -0.01062   -1.40498
 54 O     0.00000   -0.00209    1.77548
 55 Pt    0.00000   -0.01226    0.51682
 56 Pt   -0.00000    0.12047    0.65446
 57 O    -1.61408    0.01379    0.09092
 58 O     1.61408    0.01379    0.09092
 59 O     0.00000   -0.02132   -0.51602
 60 O     0.00000   -0.21707   -0.11637
 61 Pt   -0.00000    0.01871   -0.09705
 62 Pt   -0.00000    0.01694   -0.00662
 63 O    -0.01534   -0.00763    0.00297
 64 O     0.01534   -0.00763    0.00297
 65 O     0.00000    0.00042    0.00123
 66 O     0.00000   -0.01558   -0.00395
 67 Pt   -0.00000    0.01062    0.02228
 68 Pt   -0.00000    0.14963    0.02370
 69 O    -0.00797    0.00291   -0.03407
 70 O     0.00797    0.00291   -0.03407
 71 O    -0.00000    0.00931   -0.05533
 72 N    -0.00000    0.26364    0.17293
 73 N     0.00000   -0.26665    0.16857

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          O Pt   O   PtO           
             O                     
        O     O    PtO             
         PtO Pt                    
               OPt O     O         
       Pt   O     O Pt             
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.872766   24.213975    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.779385   24.060352    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:57:29  -2.67   +inf  -414.171306    3      1      
iter:   2  17:59:28  -3.59  -3.58  -414.172622    3      1      
iter:   3  18:01:17  -4.15  -3.11  -414.172726    3      1      
iter:   4  18:03:26  -4.41  -3.23  -414.172744    3      1      
iter:   5  18:05:33  -4.19  -3.47  -414.166274    3      1      
iter:   6  18:07:40  -4.99  -4.07  -414.166804    2      1      
iter:   7  18:09:46  -5.50  -4.39  -414.166961    2      1      
iter:   8  18:11:53  -5.42  -4.42  -414.167297    2      1      
iter:   9  18:14:01  -5.88  -4.15  -414.167754    2      1      
iter:  10  18:16:07  -5.75  -3.52  -414.166762    2      1      
iter:  11  18:18:14  -6.50  -4.74  -414.166939    2      1      
iter:  12  18:20:21  -6.88  -4.84  -414.166762    2      1      
iter:  13  18:22:27  -7.03  -4.90  -414.166850    2      1      
iter:  14  18:24:35  -7.05  -5.11  -414.166827    2      1      
iter:  15  18:26:42  -7.59  -5.10  -414.166896    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962964, -32.520711, 0.013376) |e|*Ang

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

Kinetic:        +18.910484
Potential:     -137.593729
External:        +0.000000
XC:            -305.190762
Entropy (-ST):   -1.565938
Local:          +10.490080
--------------------------
Free energy:   -414.949865
Extrapolated:  -414.166896

Fermi level: -6.52249

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58928    0.14690
  0   340     -6.57692    0.14063
  0   341     -6.57609    0.14020
  0   342     -6.54629    0.12427

  1   339     -6.49711    0.19418
  1   340     -6.44886    0.14392
  1   341     -6.41485    0.11297
  1   342     -6.40790    0.10721



Forces in eV/Ang:
  0 O     0.00000   -0.01740    1.17395
  1 Pt    0.00000   -0.00292   -0.37406
  2 Pt    0.00000   -0.01903   -0.43342
  3 O    -1.68127    0.00027   -0.71870
  4 O     1.68127    0.00027   -0.71870
  5 O     0.00000   -0.01178   -1.38606
  6 O     0.00000   -0.00271    1.77375
  7 Pt   -0.00000    0.01381    0.45370
  8 Pt    0.00000   -0.03973    0.75303
  9 O    -1.58077    0.00054    0.05197
 10 O     1.58077    0.00054    0.05197
 11 O     0.00000   -0.00894   -0.56598
 12 O    -0.00000    0.01041    0.14194
 13 Pt   -0.00000    0.30035   -0.03607
 14 Pt    0.00000   -0.01968    0.01054
 15 O    -0.00126    0.01040    0.00400
 16 O     0.00126    0.01040    0.00400
 17 O    -0.00000    0.01181   -1.11923
 18 O    -0.00000    0.00277    0.02656
 19 Pt    0.00000   -0.01919    0.13997
 20 Pt    0.00000   -0.02815    0.19561
 21 O    -0.21788    0.39914    0.23524
 22 O     0.21788    0.39914    0.23524
 23 O     0.00000   -0.01796   -0.09057
 24 O     0.00000   -0.00103    1.14981
 25 Pt   -0.00000    0.01736   -0.37724
 26 Pt    0.00000   -0.00016   -0.43429
 27 O    -1.68986    0.01336   -0.71798
 28 O     1.68986    0.01336   -0.71798
 29 O    -0.00000    0.04524   -1.38879
 30 O     0.00000   -0.00456    1.83989
 31 Pt   -0.00000    0.01941    0.51342
 32 Pt    0.00000   -0.13978    0.58103
 33 O    -1.61391   -0.01901    0.07102
 34 O     1.61391   -0.01901    0.07102
 35 O     0.00000   -0.03244   -0.52480
 36 O    -0.00000    0.22594   -0.11965
 37 Pt    0.00000   -0.33753   -0.04113
 38 Pt    0.00000   -0.00394   -0.00940
 39 O     0.00953    0.01162    0.01608
 40 O    -0.00953    0.01162    0.01608
 41 O     0.00000   -0.00628    0.03046
 42 O    -0.00000    0.03508   -0.01919
 43 Pt    0.00000   -0.01665    0.08561
 44 Pt    0.00000   -0.06163   -0.03280
 45 O    -0.19095   -0.41182    0.16144
 46 O     0.19095   -0.41182    0.16144
 47 O     0.00000   -0.02253   -0.06087
 48 O    -0.00000    0.02234    1.17181
 49 Pt    0.00000   -0.02258   -0.37634
 50 Pt   -0.00000    0.02110   -0.43548
 51 O    -1.68916   -0.01395   -0.71819
 52 O     1.68916   -0.01395   -0.71819
 53 O     0.00000   -0.01048   -1.40577
 54 O     0.00000   -0.00196    1.78215
 55 Pt    0.00000   -0.01231    0.51950
 56 Pt   -0.00000    0.12035    0.65613
 57 O    -1.61384    0.01382    0.09158
 58 O     1.61384    0.01382    0.09158
 59 O     0.00000   -0.02120   -0.51615
 60 O     0.00000   -0.21904   -0.11722
 61 Pt   -0.00000    0.01954   -0.09621
 62 Pt   -0.00000    0.01680   -0.00520
 63 O    -0.01592   -0.00769    0.00321
 64 O     0.01592   -0.00769    0.00321
 65 O     0.00000    0.00092    0.00712
 66 O     0.00000   -0.01507   -0.00528
 67 Pt   -0.00000    0.01053    0.02401
 68 Pt   -0.00000    0.14935    0.02411
 69 O    -0.00956    0.00243   -0.03391
 70 O     0.00956    0.00243   -0.03391
 71 O    -0.00000    0.00890   -0.05542
 72 N    -0.00000    0.08178    0.19223
 73 N     0.00000   -0.18377    0.20925

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          O      O   PtO           
            Pt                     
        O     O    PtO             
         PtO Pt                    
               OPt O     O         
       Pt   O     O Pt             
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.895993   24.218647    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.801172   24.072626    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:36:26  -2.66   +inf  -414.298519    3      1      
iter:   2  18:38:33  -2.73  -2.53  -417.882229    3      1      
iter:   3  18:40:40  -3.17  -1.85  -414.213913    3      1      
iter:   4  18:42:47  -3.62  -2.79  -414.174269    3      1      
iter:   5  18:44:54  -4.12  -3.52  -414.167272    3      1      
iter:   6  18:47:01  -4.24  -3.58  -414.166432    3      1      
iter:   7  18:49:07  -4.91  -3.79  -414.167104    3      1      
iter:   8  18:51:14  -5.15  -3.74  -414.167576    2      1      
iter:   9  18:53:21  -5.54  -4.18  -414.167377    2      1      
iter:  10  18:55:26  -5.73  -4.30  -414.167865    2      1      
iter:  11  18:57:34  -5.66  -4.15  -414.166187    3      1      
iter:  12  18:59:40  -5.87  -4.00  -414.167255    3      1      
iter:  13  19:01:47  -6.53  -4.49  -414.167270    2      1      
iter:  14  19:03:54  -7.20  -4.77  -414.167218    2      1      
iter:  15  19:06:01  -7.42  -4.85  -414.167299    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962995, -32.519678, 0.013114) |e|*Ang

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

Kinetic:        +18.786370
Potential:     -137.497292
External:        +0.000000
XC:            -305.165540
Entropy (-ST):   -1.565925
Local:          +10.492126
--------------------------
Free energy:   -414.950261
Extrapolated:  -414.167299

Fermi level: -6.52292

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58968    0.14688
  0   340     -6.57722    0.14056
  0   341     -6.57638    0.14012
  0   342     -6.54682    0.12433

  1   339     -6.49738    0.19400
  1   340     -6.44920    0.14383
  1   341     -6.41525    0.11294
  1   342     -6.40854    0.10739



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17396
  1 Pt    0.00000   -0.00294   -0.37435
  2 Pt    0.00000   -0.01904   -0.43289
  3 O    -1.68293    0.00027   -0.71885
  4 O     1.68293    0.00027   -0.71885
  5 O     0.00000   -0.01173   -1.38647
  6 O     0.00000   -0.00267    1.77117
  7 Pt   -0.00000    0.01380    0.45243
  8 Pt    0.00000   -0.03974    0.75231
  9 O    -1.58034    0.00052    0.05216
 10 O     1.58034    0.00052    0.05216
 11 O     0.00000   -0.00891   -0.56664
 12 O    -0.00000    0.01002    0.14070
 13 Pt   -0.00000    0.30124   -0.03696
 14 Pt    0.00000   -0.01977    0.00985
 15 O    -0.00081    0.01041    0.00414
 16 O     0.00081    0.01041    0.00414
 17 O    -0.00000    0.01185   -1.12504
 18 O    -0.00000    0.00302    0.02687
 19 Pt    0.00000   -0.01899    0.14133
 20 Pt    0.00000   -0.02683    0.20327
 21 O    -0.21777    0.39953    0.23799
 22 O     0.21777    0.39953    0.23799
 23 O     0.00000   -0.01786   -0.09140
 24 O     0.00000   -0.00103    1.14985
 25 Pt   -0.00000    0.01738   -0.37747
 26 Pt    0.00000   -0.00017   -0.43371
 27 O    -1.69152    0.01333   -0.71812
 28 O     1.69152    0.01333   -0.71812
 29 O    -0.00000    0.04521   -1.38901
 30 O     0.00000   -0.00454    1.83739
 31 Pt   -0.00000    0.01941    0.51208
 32 Pt    0.00000   -0.13962    0.58018
 33 O    -1.61351   -0.01899    0.07117
 34 O     1.61351   -0.01899    0.07117
 35 O     0.00000   -0.03242   -0.52574
 36 O    -0.00000    0.22589   -0.12036
 37 Pt    0.00000   -0.33829   -0.04170
 38 Pt    0.00000   -0.00398   -0.00956
 39 O     0.01009    0.01156    0.01629
 40 O    -0.01009    0.01156    0.01629
 41 O     0.00000   -0.00592    0.02841
 42 O    -0.00000    0.03534   -0.01930
 43 Pt    0.00000   -0.01709    0.08792
 44 Pt    0.00000   -0.06275   -0.03315
 45 O    -0.19264   -0.41347    0.16743
 46 O     0.19264   -0.41347    0.16743
 47 O     0.00000   -0.02327   -0.06176
 48 O    -0.00000    0.02239    1.17183
 49 Pt    0.00000   -0.02259   -0.37656
 50 Pt   -0.00000    0.02111   -0.43496
 51 O    -1.69082   -0.01392   -0.71832
 52 O     1.69082   -0.01392   -0.71832
 53 O     0.00000   -0.01051   -1.40605
 54 O     0.00000   -0.00202    1.77962
 55 Pt    0.00000   -0.01229    0.51800
 56 Pt   -0.00000    0.12018    0.65538
 57 O    -1.61350    0.01381    0.09170
 58 O     1.61350    0.01381    0.09170
 59 O     0.00000   -0.02124   -0.51696
 60 O     0.00000   -0.21864   -0.11829
 61 Pt   -0.00000    0.01956   -0.09634
 62 Pt   -0.00000    0.01690   -0.00552
 63 O    -0.01533   -0.00765    0.00364
 64 O     0.01533   -0.00765    0.00364
 65 O     0.00000    0.00063    0.00515
 66 O     0.00000   -0.01550   -0.00520
 67 Pt   -0.00000    0.01079    0.02310
 68 Pt   -0.00000    0.14941    0.02382
 69 O    -0.00878    0.00287   -0.03313
 70 O     0.00878    0.00287   -0.03313
 71 O    -0.00000    0.00945   -0.05630
 72 N    -0.00000    0.04694    0.13346
 73 N     0.00000   -0.13134    0.04497

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          O      O   PtO           
            Pt                     
        O          PtO             
         PtO PO      O             
               OPt O     O         
       Pt   O     O Pt             
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.920787   24.222967    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.825244   24.082796    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:13:42  -2.63   +inf  -414.203381    3      1      
iter:   2  19:15:49  -3.17  -2.81  -415.194187    3      1      
iter:   3  19:17:58  -3.53  -2.11  -414.174972    3      1      
iter:   4  19:20:11  -4.08  -3.34  -414.173868    3      1      
iter:   5  19:22:26  -4.14  -3.63  -414.167361    3      1      
iter:   6  19:24:41  -4.31  -3.48  -414.170101    3      1      
iter:   7  19:26:42  -5.40  -3.95  -414.170085    2      1      
iter:   8  19:28:47  -5.73  -4.18  -414.170194    2      1      
iter:   9  19:31:01  -5.62  -4.25  -414.172007    1      1      
iter:  10  19:33:15  -5.50  -3.44  -414.170517    3      1      
iter:  11  19:35:29  -5.88  -4.45  -414.169974    2      1      
iter:  12  19:37:44  -6.60  -4.44  -414.170409    2      1      
iter:  13  19:39:57  -6.79  -4.58  -414.170200    2      1      
iter:  14  19:42:12  -7.01  -4.81  -414.170147    2      1      
iter:  15  19:44:27  -7.21  -4.69  -414.170232    2      1      
iter:  16  19:46:39  -7.17  -4.51  -414.170144    2      1      
iter:  17  19:48:54  -7.84  -4.79  -414.170168    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963024, -32.518560, 0.012072) |e|*Ang

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

Kinetic:        +18.810397
Potential:     -137.527832
External:        +0.000000
XC:            -305.163059
Entropy (-ST):   -1.566097
Local:          +10.493375
--------------------------
Free energy:   -414.953216
Extrapolated:  -414.170168

Fermi level: -6.52430

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59121    0.14696
  0   340     -6.57837    0.14044
  0   341     -6.57750    0.13999
  0   342     -6.54839    0.12443

  1   339     -6.49867    0.19390
  1   340     -6.45039    0.14364
  1   341     -6.41659    0.11291
  1   342     -6.41019    0.10761



Forces in eV/Ang:
  0 O     0.00000   -0.01743    1.17410
  1 Pt    0.00000   -0.00292   -0.37470
  2 Pt    0.00000   -0.01904   -0.43392
  3 O    -1.68325    0.00028   -0.71860
  4 O     1.68325    0.00028   -0.71860
  5 O     0.00000   -0.01172   -1.38555
  6 O     0.00000   -0.00264    1.76663
  7 Pt   -0.00000    0.01381    0.45132
  8 Pt    0.00000   -0.03972    0.75151
  9 O    -1.58095    0.00053    0.05164
 10 O     1.58095    0.00053    0.05164
 11 O     0.00000   -0.00890   -0.56630
 12 O    -0.00000    0.01034    0.14166
 13 Pt   -0.00000    0.30236   -0.03855
 14 Pt    0.00000   -0.01987    0.00843
 15 O    -0.00094    0.01044    0.00342
 16 O     0.00094    0.01044    0.00342
 17 O    -0.00000    0.01179   -1.13293
 18 O    -0.00000    0.00298    0.02729
 19 Pt    0.00000   -0.01902    0.14152
 20 Pt    0.00000   -0.02720    0.20408
 21 O    -0.21745    0.39988    0.23711
 22 O     0.21745    0.39988    0.23711
 23 O     0.00000   -0.01721   -0.08922
 24 O     0.00000   -0.00103    1.14997
 25 Pt   -0.00000    0.01736   -0.37781
 26 Pt    0.00000   -0.00016   -0.43475
 27 O    -1.69183    0.01333   -0.71786
 28 O     1.69183    0.01333   -0.71786
 29 O    -0.00000    0.04519   -1.38822
 30 O     0.00000   -0.00450    1.83276
 31 Pt   -0.00000    0.01935    0.51094
 32 Pt    0.00000   -0.13941    0.57960
 33 O    -1.61411   -0.01901    0.07067
 34 O     1.61411   -0.01901    0.07067
 35 O     0.00000   -0.03243   -0.52553
 36 O    -0.00000    0.22664   -0.12030
 37 Pt    0.00000   -0.33966   -0.04377
 38 Pt    0.00000   -0.00399   -0.01110
 39 O     0.01004    0.01150    0.01545
 40 O    -0.01004    0.01150    0.01545
 41 O     0.00000   -0.00628    0.02515
 42 O    -0.00000    0.03547   -0.01853
 43 Pt    0.00000   -0.01722    0.08956
 44 Pt    0.00000   -0.06034   -0.03602
 45 O    -0.19322   -0.41491    0.16945
 46 O     0.19322   -0.41491    0.16945
 47 O     0.00000   -0.02324   -0.06011
 48 O    -0.00000    0.02237    1.17196
 49 Pt    0.00000   -0.02259   -0.37688
 50 Pt   -0.00000    0.02111   -0.43600
 51 O    -1.69114   -0.01393   -0.71803
 52 O     1.69114   -0.01393   -0.71803
 53 O     0.00000   -0.01050   -1.40517
 54 O     0.00000   -0.00210    1.77507
 55 Pt    0.00000   -0.01225    0.51681
 56 Pt   -0.00000    0.11995    0.65468
 57 O    -1.61411    0.01383    0.09113
 58 O     1.61411    0.01383    0.09113
 59 O     0.00000   -0.02124   -0.51669
 60 O     0.00000   -0.21979   -0.11782
 61 Pt   -0.00000    0.01999   -0.09895
 62 Pt   -0.00000    0.01699   -0.00693
 63 O    -0.01542   -0.00759    0.00282
 64 O     0.01542   -0.00759    0.00282
 65 O     0.00000    0.00102    0.00060
 66 O     0.00000   -0.01553   -0.00469
 67 Pt   -0.00000    0.01085    0.02393
 68 Pt   -0.00000    0.14895    0.02560
 69 O    -0.00814    0.00275   -0.03320
 70 O     0.00814    0.00275   -0.03320
 71 O    -0.00000    0.00879   -0.05471
 72 N    -0.00000    0.07924    0.15763
 73 N     0.00000   -0.07985    0.18880

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          O      O   PtO           
            Pt                     
        O          PtO             
         PtO PO      O             
               OPt O     O         
       Pt   O     O Pt             
           PtO  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt   O              
        O          PtO             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
                O                  
             O    Pt  O            
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.945627   24.227258    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.849384   24.092891    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:55:22  -2.63   +inf  -414.180932    3      1      
iter:   2  19:57:36  -3.49  -3.22  -414.283187    3      1      
iter:   3  19:59:51  -3.98  -2.55  -414.172883    3      1      
iter:   4  20:02:06  -4.40  -3.40  -414.176133    3      1      
iter:   5  20:04:20  -4.12  -3.53  -414.169504    3      1      
iter:   6  20:06:34  -4.68  -3.74  -414.170541    2      1      
iter:   7  20:08:48  -5.34  -4.35  -414.170908    2      1      
iter:   8  20:10:46  -5.45  -4.31  -414.170636    3      1      
iter:   9  20:12:40  -5.53  -4.39  -414.171333    2      1      
iter:  10  20:14:59  -5.79  -3.90  -414.170883    2      1      
iter:  11  20:17:13  -6.53  -4.38  -414.170693    2      1      
iter:  12  20:19:27  -6.91  -4.64  -414.170853    2      1      
iter:  13  20:21:42  -7.06  -4.60  -414.170684    2      1      
iter:  14  20:23:56  -7.04  -5.04  -414.170700    2      1      
iter:  15  20:26:11  -7.48  -4.84  -414.170663    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963020, -32.517653, 0.011244) |e|*Ang

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

Kinetic:        +18.821728
Potential:     -137.548497
External:        +0.000000
XC:            -305.158231
Entropy (-ST):   -1.566164
Local:          +10.497419
--------------------------
Free energy:   -414.953745
Extrapolated:  -414.170663

Fermi level: -6.52475

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59148    0.14686
  0   340     -6.57885    0.14045
  0   341     -6.57800    0.14001
  0   342     -6.54890    0.12446

  1   339     -6.49917    0.19395
  1   340     -6.45085    0.14365
  1   341     -6.41707    0.11293
  1   342     -6.41081    0.10774



Forces in eV/Ang:
  0 O     0.00000   -0.01742    1.17425
  1 Pt    0.00000   -0.00296   -0.37438
  2 Pt    0.00000   -0.01902   -0.43322
  3 O    -1.68282    0.00026   -0.71852
  4 O     1.68282    0.00026   -0.71852
  5 O     0.00000   -0.01174   -1.38554
  6 O     0.00000   -0.00275    1.76821
  7 Pt   -0.00000    0.01372    0.45153
  8 Pt    0.00000   -0.03981    0.75163
  9 O    -1.58098    0.00052    0.05151
 10 O     1.58098    0.00052    0.05151
 11 O     0.00000   -0.00894   -0.56679
 12 O    -0.00000    0.01056    0.14192
 13 Pt   -0.00000    0.30348   -0.03786
 14 Pt    0.00000   -0.01973    0.00914
 15 O    -0.00066    0.01032    0.00342
 16 O     0.00066    0.01032    0.00342
 17 O    -0.00000    0.01176   -1.13611
 18 O    -0.00000    0.00285    0.02756
 19 Pt    0.00000   -0.01857    0.14135
 20 Pt    0.00000   -0.02748    0.20371
 21 O    -0.21753    0.40085    0.23747
 22 O     0.21753    0.40085    0.23747
 23 O     0.00000   -0.01760   -0.09001
 24 O     0.00000   -0.00099    1.15008
 25 Pt   -0.00000    0.01742   -0.37753
 26 Pt    0.00000   -0.00013   -0.43420
 27 O    -1.69142    0.01338   -0.71780
 28 O     1.69142    0.01338   -0.71780
 29 O    -0.00000    0.04506   -1.38846
 30 O     0.00000   -0.00468    1.83432
 31 Pt   -0.00000    0.01949    0.51127
 32 Pt    0.00000   -0.13938    0.58023
 33 O    -1.61410   -0.01899    0.07056
 34 O     1.61410   -0.01899    0.07056
 35 O     0.00000   -0.03248   -0.52560
 36 O    -0.00000    0.22731   -0.12088
 37 Pt    0.00000   -0.34101   -0.04342
 38 Pt    0.00000   -0.00362   -0.01085
 39 O     0.01013    0.01176    0.01542
 40 O    -0.01013    0.01176    0.01542
 41 O     0.00000   -0.00629    0.02653
 42 O    -0.00000    0.03570   -0.01883
 43 Pt    0.00000   -0.01771    0.08964
 44 Pt    0.00000   -0.05874   -0.03927
 45 O    -0.19396   -0.41651    0.17231
 46 O     0.19396   -0.41651    0.17231
 47 O     0.00000   -0.02330   -0.06069
 48 O    -0.00000    0.02232    1.17207
 49 Pt    0.00000   -0.02261   -0.37673
 50 Pt   -0.00000    0.02107   -0.43540
 51 O    -1.69076   -0.01395   -0.71798
 52 O     1.69076   -0.01395   -0.71798
 53 O     0.00000   -0.01033   -1.40530
 54 O     0.00000   -0.00183    1.77670
 55 Pt    0.00000   -0.01229    0.51739
 56 Pt   -0.00000    0.11998    0.65515
 57 O    -1.61404    0.01383    0.09106
 58 O     1.61404    0.01383    0.09106
 59 O     0.00000   -0.02115   -0.51686
 60 O     0.00000   -0.22077   -0.11806
 61 Pt   -0.00000    0.02040   -0.09898
 62 Pt   -0.00000    0.01648   -0.00666
 63 O    -0.01570   -0.00773    0.00273
 64 O     0.01570   -0.00773    0.00273
 65 O    -0.00000    0.00108    0.00062
 66 O     0.00000   -0.01558   -0.00488
 67 Pt   -0.00000    0.01093    0.02270
 68 Pt   -0.00000    0.14871    0.02448
 69 O    -0.00818    0.00267   -0.03377
 70 O     0.00818    0.00267   -0.03377
 71 O    -0.00000    0.00920   -0.05512
 72 N    -0.00000    0.07282    0.15000
 73 N     0.00000   -0.14758    0.13605

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.968901   24.231055    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.872031   24.101354    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:34:53  -2.68   +inf  -414.178853    3      1      
iter:   2  20:37:08  -3.60  -3.44  -414.170237    3      1      
iter:   3  20:39:23  -4.16  -3.35  -414.175376    3      1      
iter:   4  20:41:38  -4.06  -3.70  -414.190070    3      1      
iter:   5  20:43:52  -4.25  -2.94  -414.171600    2      1      
iter:   6  20:46:05  -4.88  -4.00  -414.171750    2      1      
iter:   7  20:48:19  -5.61  -4.32  -414.171769    2      1      
iter:   8  20:50:34  -5.50  -4.51  -414.172551    2      1      
iter:   9  20:52:28  -5.88  -4.20  -414.171023    3      1      
iter:  10  20:54:27  -5.92  -4.16  -414.172033    2      1      
iter:  11  20:56:47  -6.51  -4.59  -414.171999    2      1      
iter:  12  20:59:01  -6.89  -4.34  -414.171854    2      1      
iter:  13  21:01:16  -7.18  -4.98  -414.171838    2      1      
iter:  14  21:03:30  -7.28  -5.07  -414.171797    2      1      
iter:  15  21:05:45  -7.50  -5.10  -414.171895    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963022, -32.517003, 0.010590) |e|*Ang

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

Kinetic:        +18.812513
Potential:     -137.547661
External:        +0.000000
XC:            -305.151769
Entropy (-ST):   -1.565986
Local:          +10.498014
--------------------------
Free energy:   -414.954888
Extrapolated:  -414.171895

Fermi level: -6.52555

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59211    0.14678
  0   340     -6.57963    0.14044
  0   341     -6.57879    0.14001
  0   342     -6.54973    0.12448

  1   339     -6.49982    0.19379
  1   340     -6.45167    0.14368
  1   341     -6.41783    0.11290
  1   342     -6.41172    0.10784



Forces in eV/Ang:
  0 O     0.00000   -0.01742    1.17430
  1 Pt    0.00000   -0.00294   -0.37504
  2 Pt    0.00000   -0.01902   -0.43394
  3 O    -1.68337    0.00025   -0.71863
  4 O     1.68337    0.00025   -0.71863
  5 O     0.00000   -0.01171   -1.38563
  6 O     0.00000   -0.00270    1.76640
  7 Pt   -0.00000    0.01380    0.45106
  8 Pt    0.00000   -0.03983    0.75121
  9 O    -1.58080    0.00058    0.05139
 10 O     1.58080    0.00058    0.05139
 11 O     0.00000   -0.00892   -0.56638
 12 O    -0.00000    0.01048    0.14170
 13 Pt   -0.00000    0.30404   -0.03752
 14 Pt    0.00000   -0.01975    0.00911
 15 O    -0.00071    0.01029    0.00352
 16 O     0.00071    0.01029    0.00352
 17 O    -0.00000    0.01172   -1.13713
 18 O    -0.00000    0.00322    0.02761
 19 Pt    0.00000   -0.01864    0.14306
 20 Pt    0.00000   -0.02662    0.20753
 21 O    -0.21814    0.40142    0.23781
 22 O     0.21814    0.40142    0.23781
 23 O     0.00000   -0.01735   -0.08981
 24 O     0.00000   -0.00097    1.15015
 25 Pt   -0.00000    0.01740   -0.37817
 26 Pt    0.00000   -0.00010   -0.43498
 27 O    -1.69196    0.01338   -0.71790
 28 O     1.69196    0.01338   -0.71790
 29 O    -0.00000    0.04506   -1.38855
 30 O     0.00000   -0.00465    1.83222
 31 Pt   -0.00000    0.01936    0.51075
 32 Pt    0.00000   -0.13930    0.57991
 33 O    -1.61393   -0.01907    0.07043
 34 O     1.61393   -0.01907    0.07043
 35 O     0.00000   -0.03247   -0.52537
 36 O    -0.00000    0.22755   -0.12090
 37 Pt    0.00000   -0.34156   -0.04303
 38 Pt    0.00000   -0.00362   -0.01029
 39 O     0.01021    0.01174    0.01559
 40 O    -0.01021    0.01174    0.01559
 41 O     0.00000   -0.00615    0.02809
 42 O    -0.00000    0.03581   -0.01877
 43 Pt    0.00000   -0.01801    0.09168
 44 Pt    0.00000   -0.05825   -0.04139
 45 O    -0.19544   -0.41829    0.17446
 46 O     0.19544   -0.41829    0.17446
 47 O     0.00000   -0.02335   -0.06099
 48 O    -0.00000    0.02231    1.17214
 49 Pt    0.00000   -0.02261   -0.37739
 50 Pt   -0.00000    0.02103   -0.43620
 51 O    -1.69133   -0.01395   -0.71808
 52 O     1.69133   -0.01395   -0.71808
 53 O     0.00000   -0.01035   -1.40537
 54 O     0.00000   -0.00190    1.77468
 55 Pt    0.00000   -0.01224    0.51680
 56 Pt   -0.00000    0.11991    0.65479
 57 O    -1.61385    0.01384    0.09093
 58 O     1.61385    0.01384    0.09093
 59 O     0.00000   -0.02117   -0.51651
 60 O     0.00000   -0.22097   -0.11813
 61 Pt   -0.00000    0.02058   -0.09860
 62 Pt   -0.00000    0.01649   -0.00631
 63 O    -0.01550   -0.00767    0.00298
 64 O     0.01550   -0.00767    0.00298
 65 O     0.00000    0.00092    0.00216
 66 O     0.00000   -0.01606   -0.00483
 67 Pt   -0.00000    0.01124    0.02334
 68 Pt   -0.00000    0.14862    0.02545
 69 O    -0.00801    0.00310   -0.03408
 70 O     0.00801    0.00310   -0.03408
 71 O    -0.00000    0.00899   -0.05534
 72 N    -0.00000    0.08968    0.13484
 73 N     0.00000   -0.07137    0.14097

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.991914   24.235737    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.895391   24.109512    ( 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  21:15:59  -2.66   +inf  -414.180168    3      1      
iter:   2  21:18:14  -3.53  -3.28  -414.265017    3      1      
iter:   3  21:20:28  -4.03  -2.60  -414.175195    3      1      
iter:   4  21:22:39  -4.31  -3.56  -414.177991    3      1      
iter:   5  21:24:54  -4.22  -3.53  -414.171254    3      1      
iter:   6  21:26:56  -4.70  -3.70  -414.172880    3      1      
iter:   7  21:28:49  -5.49  -4.22  -414.173205    2      1      
iter:   8  21:31:03  -5.47  -4.30  -414.173147    3      1      
iter:   9  21:33:21  -5.84  -4.23  -414.174003    2      1      
iter:  10  21:35:36  -5.61  -3.63  -414.173358    3      1      
iter:  11  21:37:50  -6.28  -4.30  -414.173052    2      1      
iter:  12  21:40:04  -6.67  -4.43  -414.173288    2      1      
iter:  13  21:42:19  -6.74  -4.47  -414.173058    2      1      
iter:  14  21:44:33  -6.78  -4.95  -414.173045    2      1      
iter:  15  21:46:48  -7.37  -4.80  -414.173112    2      1      
iter:  16  21:49:03  -7.23  -4.31  -414.173021    2      1      
iter:  17  21:51:18  -7.63  -5.00  -414.173122    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963051, -32.516438, 0.009772) |e|*Ang

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

Kinetic:        +18.924539
Potential:     -137.639293
External:        +0.000000
XC:            -305.172458
Entropy (-ST):   -1.565993
Local:          +10.497087
--------------------------
Free energy:   -414.956119
Extrapolated:  -414.173122

Fermi level: -6.52623

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59261    0.14669
  0   340     -6.58031    0.14044
  0   341     -6.57950    0.14002
  0   342     -6.55048    0.12452

  1   339     -6.50049    0.19378
  1   340     -6.45236    0.14368
  1   341     -6.41851    0.11290
  1   342     -6.41256    0.10797



Forces in eV/Ang:
  0 O     0.00000   -0.01743    1.17425
  1 Pt    0.00000   -0.00297   -0.37530
  2 Pt    0.00000   -0.01903   -0.43425
  3 O    -1.68339    0.00026   -0.71870
  4 O     1.68339    0.00026   -0.71870
  5 O     0.00000   -0.01169   -1.38593
  6 O     0.00000   -0.00264    1.76631
  7 Pt   -0.00000    0.01389    0.45121
  8 Pt    0.00000   -0.03982    0.75146
  9 O    -1.58085    0.00059    0.05124
 10 O     1.58085    0.00059    0.05124
 11 O     0.00000   -0.00889   -0.56624
 12 O    -0.00000    0.01036    0.14097
 13 Pt   -0.00000    0.30447   -0.03821
 14 Pt    0.00000   -0.01986    0.00844
 15 O    -0.00116    0.01048    0.00322
 16 O     0.00116    0.01048    0.00322
 17 O    -0.00000    0.01161   -1.13982
 18 O    -0.00000    0.00331    0.02722
 19 Pt    0.00000   -0.01879    0.14390
 20 Pt    0.00000   -0.02582    0.21076
 21 O    -0.21840    0.40164    0.23843
 22 O     0.21840    0.40164    0.23843
 23 O     0.00000   -0.01693   -0.08917
 24 O     0.00000   -0.00099    1.15014
 25 Pt   -0.00000    0.01744   -0.37840
 26 Pt    0.00000   -0.00013   -0.43516
 27 O    -1.69196    0.01335   -0.71797
 28 O     1.69196    0.01335   -0.71797
 29 O    -0.00000    0.04507   -1.38878
 30 O     0.00000   -0.00444    1.83223
 31 Pt   -0.00000    0.01926    0.51086
 32 Pt    0.00000   -0.13904    0.57994
 33 O    -1.61396   -0.01911    0.07028
 34 O     1.61396   -0.01911    0.07028
 35 O     0.00000   -0.03244   -0.52567
 36 O    -0.00000    0.22750   -0.12134
 37 Pt    0.00000   -0.34188   -0.04365
 38 Pt    0.00000   -0.00397   -0.01057
 39 O     0.00993    0.01148    0.01530
 40 O    -0.00993    0.01148    0.01530
 41 O     0.00000   -0.00605    0.02924
 42 O    -0.00000    0.03598   -0.01911
 43 Pt    0.00000   -0.01825    0.09396
 44 Pt    0.00000   -0.05769   -0.04359
 45 O    -0.19699   -0.41951    0.17741
 46 O     0.19699   -0.41951    0.17741
 47 O     0.00000   -0.02356   -0.06042
 48 O    -0.00000    0.02234    1.17213
 49 Pt    0.00000   -0.02263   -0.37752
 50 Pt   -0.00000    0.02107   -0.43644
 51 O    -1.69129   -0.01393   -0.71813
 52 O     1.69129   -0.01393   -0.71813
 53 O     0.00000   -0.01040   -1.40557
 54 O     0.00000   -0.00217    1.77460
 55 Pt    0.00000   -0.01224    0.51661
 56 Pt   -0.00000    0.11963    0.65478
 57 O    -1.61400    0.01387    0.09063
 58 O     1.61400    0.01387    0.09063
 59 O     0.00000   -0.02123   -0.51679
 60 O     0.00000   -0.22086   -0.11865
 61 Pt   -0.00000    0.02063   -0.09885
 62 Pt   -0.00000    0.01692   -0.00635
 63 O    -0.01543   -0.00759    0.00275
 64 O     0.01543   -0.00759    0.00275
 65 O     0.00000    0.00082    0.00281
 66 O     0.00000   -0.01628   -0.00515
 67 Pt   -0.00000    0.01158    0.02392
 68 Pt   -0.00000    0.14862    0.02640
 69 O    -0.00774    0.00331   -0.03370
 70 O     0.00774    0.00331   -0.03370
 71 O    -0.00000    0.00872   -0.05504
 72 N    -0.00000    0.18056    0.17957
 73 N     0.00000   -0.21054    0.18252

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.985468   24.236108    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.888966   24.107800    ( 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  21:56:10  -3.76   +inf  -414.171364    3      1      
iter:   2  21:58:24  -4.42  -3.50  -414.211660    3      1      
iter:   3  22:00:20  -4.66  -2.85  -414.176894    3      1      
iter:   4  22:02:13  -5.21  -3.52  -414.173079    3      1      
iter:   5  22:04:29  -5.14  -4.36  -414.172711    2      1      
iter:   6  22:06:49  -5.83  -4.30  -414.173111    2      1      
iter:   7  22:09:04  -6.45  -4.68  -414.173053    2      1      
iter:   8  22:11:19  -6.69  -4.84  -414.173086    2      1      
iter:   9  22:13:33  -6.60  -4.93  -414.173202    2      1      
iter:  10  22:15:47  -7.06  -4.72  -414.173009    2      1      
iter:  11  22:18:02  -7.36  -5.05  -414.173120    2      1      
iter:  12  22:20:17  -7.83  -5.30  -414.173026    2      1      

Converged after 12 iterations.

Dipole moment: (-55.963040, -32.516536, 0.010470) |e|*Ang

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

Kinetic:        +18.910327
Potential:     -137.631459
External:        +0.000000
XC:            -305.166342
Entropy (-ST):   -1.566238
Local:          +10.497566
--------------------------
Free energy:   -414.956145
Extrapolated:  -414.173026

Fermi level: -6.52582

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59257    0.14688
  0   340     -6.57971    0.14034
  0   341     -6.57884    0.13989
  0   342     -6.55019    0.12458

  1   339     -6.50009    0.19379
  1   340     -6.45175    0.14349
  1   341     -6.41808    0.11289
  1   342     -6.41224    0.10804



Forces in eV/Ang:
  0 O     0.00000   -0.01744    1.17456
  1 Pt    0.00000   -0.00297   -0.37462
  2 Pt    0.00000   -0.01902   -0.43342
  3 O    -1.68409    0.00026   -0.71838
  4 O     1.68409    0.00026   -0.71838
  5 O     0.00000   -0.01170   -1.38525
  6 O     0.00000   -0.00270    1.76411
  7 Pt   -0.00000    0.01383    0.45030
  8 Pt    0.00000   -0.03984    0.75087
  9 O    -1.58113    0.00058    0.05126
 10 O     1.58113    0.00058    0.05126
 11 O     0.00000   -0.00892   -0.56705
 12 O    -0.00000    0.01039    0.14125
 13 Pt   -0.00000    0.30449   -0.03923
 14 Pt    0.00000   -0.01985    0.00798
 15 O    -0.00069    0.01044    0.00333
 16 O     0.00069    0.01044    0.00333
 17 O    -0.00000    0.01153   -1.14446
 18 O    -0.00000    0.00308    0.02754
 19 Pt    0.00000   -0.01887    0.14072
 20 Pt    0.00000   -0.02545    0.20794
 21 O    -0.21758    0.40105    0.23730
 22 O     0.21758    0.40105    0.23730
 23 O     0.00000   -0.01725   -0.08987
 24 O     0.00000   -0.00098    1.15044
 25 Pt   -0.00000    0.01745   -0.37773
 26 Pt    0.00000   -0.00012   -0.43438
 27 O    -1.69267    0.01337   -0.71765
 28 O     1.69267    0.01337   -0.71765
 29 O    -0.00000    0.04503   -1.38820
 30 O     0.00000   -0.00460    1.83006
 31 Pt   -0.00000    0.01934    0.50995
 32 Pt    0.00000   -0.13916    0.57939
 33 O    -1.61425   -0.01908    0.07029
 34 O     1.61425   -0.01908    0.07029
 35 O     0.00000   -0.03248   -0.52623
 36 O    -0.00000    0.22769   -0.12145
 37 Pt    0.00000   -0.34191   -0.04472
 38 Pt    0.00000   -0.00384   -0.01148
 39 O     0.01026    0.01158    0.01534
 40 O    -0.01026    0.01158    0.01534
 41 O     0.00000   -0.00627    0.02403
 42 O    -0.00000    0.03601   -0.01866
 43 Pt    0.00000   -0.01796    0.09098
 44 Pt    0.00000   -0.05752   -0.04394
 45 O    -0.19600   -0.41849    0.17674
 46 O     0.19600   -0.41849    0.17674
 47 O     0.00000   -0.02310   -0.06082
 48 O    -0.00000    0.02234    1.17243
 49 Pt    0.00000   -0.02263   -0.37691
 50 Pt   -0.00000    0.02106   -0.43564
 51 O    -1.69201   -0.01394   -0.71784
 52 O     1.69201   -0.01394   -0.71784
 53 O     0.00000   -0.01034   -1.40500
 54 O     0.00000   -0.00195    1.77246
 55 Pt    0.00000   -0.01225    0.51583
 56 Pt   -0.00000    0.11977    0.65427
 57 O    -1.61427    0.01385    0.09071
 58 O     1.61427    0.01385    0.09071
 59 O     0.00000   -0.02116   -0.51734
 60 O     0.00000   -0.22107   -0.11865
 61 Pt   -0.00000    0.02058   -0.10008
 62 Pt   -0.00000    0.01679   -0.00734
 63 O    -0.01536   -0.00765    0.00275
 64 O     0.01536   -0.00765    0.00275
 65 O    -0.00000    0.00114   -0.00292
 66 O     0.00000   -0.01608   -0.00483
 67 Pt   -0.00000    0.01137    0.02190
 68 Pt   -0.00000    0.14812    0.02363
 69 O    -0.00742    0.00304   -0.03418
 70 O     0.00742    0.00304   -0.03418
 71 O    -0.00000    0.00862   -0.05544
 72 N    -0.00000    0.08821    0.15979
 73 N     0.00000   -0.16887    0.17695

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.958811   24.243320    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.863518   24.102800    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:28:19  -2.56   +inf  -414.242347    3      1      
iter:   2  22:30:34  -2.99  -2.70  -415.889190    3      1      
iter:   3  22:32:50  -3.37  -2.00  -414.177020    3      1      
iter:   4  22:35:05  -4.01  -3.31  -414.180199    3      1      
iter:   5  22:37:20  -4.36  -3.59  -414.173368    3      1      
iter:   6  22:39:35  -4.22  -3.56  -414.173003    3      1      
iter:   7  22:41:49  -5.00  -3.79  -414.174055    3      1      
iter:   8  22:44:04  -5.25  -4.26  -414.174135    3      1      
iter:   9  22:46:19  -5.59  -3.81  -414.174999    2      1      
iter:  10  22:48:20  -5.56  -3.77  -414.175595    2      1      
iter:  11  22:50:13  -5.55  -3.97  -414.173286    3      1      
iter:  12  22:52:26  -5.80  -4.00  -414.174441    2      1      
iter:  13  22:54:46  -6.01  -4.37  -414.174258    2      1      
iter:  14  22:57:00  -6.59  -4.82  -414.174228    2      1      
iter:  15  22:59:13  -6.99  -4.88  -414.174156    2      1      
iter:  16  23:01:28  -7.31  -4.45  -414.174181    2      1      
iter:  17  23:03:41  -7.43  -4.85  -414.174253    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963077, -32.517673, 0.010479) |e|*Ang

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

Kinetic:        +18.840384
Potential:     -137.574580
External:        +0.000000
XC:            -305.155207
Entropy (-ST):   -1.565946
Local:          +10.498123
--------------------------
Free energy:   -414.957226
Extrapolated:  -414.174253

Fermi level: -6.52577

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59246    0.14685
  0   340     -6.57981    0.14042
  0   341     -6.57896    0.13998
  0   342     -6.55004    0.12453

  1   339     -6.49999    0.19374
  1   340     -6.45185    0.14364
  1   341     -6.41799    0.11285
  1   342     -6.41209    0.10796



Forces in eV/Ang:
  0 O     0.00000   -0.01744    1.17442
  1 Pt    0.00000   -0.00297   -0.37524
  2 Pt    0.00000   -0.01903   -0.43401
  3 O    -1.68397    0.00026   -0.71871
  4 O     1.68397    0.00026   -0.71871
  5 O     0.00000   -0.01169   -1.38590
  6 O     0.00000   -0.00272    1.76487
  7 Pt   -0.00000    0.01384    0.45039
  8 Pt    0.00000   -0.03993    0.75096
  9 O    -1.58071    0.00056    0.05114
 10 O     1.58071    0.00056    0.05114
 11 O     0.00000   -0.00894   -0.56668
 12 O    -0.00000    0.01010    0.14089
 13 Pt   -0.00000    0.30343   -0.03842
 14 Pt    0.00000   -0.01983    0.00873
 15 O    -0.00062    0.01040    0.00315
 16 O     0.00062    0.01040    0.00315
 17 O    -0.00000    0.01155   -1.13759
 18 O    -0.00000    0.00303    0.02770
 19 Pt    0.00000   -0.01873    0.14243
 20 Pt    0.00000   -0.02624    0.20678
 21 O    -0.21810    0.40089    0.23855
 22 O     0.21810    0.40089    0.23855
 23 O     0.00000   -0.01731   -0.08959
 24 O     0.00000   -0.00099    1.15031
 25 Pt   -0.00000    0.01744   -0.37836
 26 Pt    0.00000   -0.00014   -0.43494
 27 O    -1.69255    0.01336   -0.71799
 28 O     1.69255    0.01336   -0.71799
 29 O    -0.00000    0.04505   -1.38875
 30 O     0.00000   -0.00458    1.83091
 31 Pt   -0.00000    0.01933    0.51007
 32 Pt    0.00000   -0.13925    0.57922
 33 O    -1.61382   -0.01906    0.07017
 34 O     1.61382   -0.01906    0.07017
 35 O     0.00000   -0.03249   -0.52586
 36 O    -0.00000    0.22720   -0.12109
 37 Pt    0.00000   -0.34034   -0.04365
 38 Pt    0.00000   -0.00380   -0.01049
 39 O     0.01033    0.01164    0.01525
 40 O    -0.01033    0.01164    0.01525
 41 O     0.00000   -0.00597    0.02556
 42 O    -0.00000    0.03613   -0.01871
 43 Pt    0.00000   -0.01783    0.09248
 44 Pt    0.00000   -0.05862   -0.04006
 45 O    -0.19623   -0.41692    0.17713
 46 O     0.19623   -0.41692    0.17713
 47 O     0.00000   -0.02307   -0.06003
 48 O    -0.00000    0.02234    1.17230
 49 Pt    0.00000   -0.02262   -0.37752
 50 Pt   -0.00000    0.02109   -0.43620
 51 O    -1.69188   -0.01394   -0.71818
 52 O     1.69188   -0.01394   -0.71818
 53 O     0.00000   -0.01038   -1.40558
 54 O     0.00000   -0.00194    1.77327
 55 Pt    0.00000   -0.01225    0.51594
 56 Pt   -0.00000    0.11997    0.65419
 57 O    -1.61387    0.01385    0.09063
 58 O     1.61387    0.01385    0.09063
 59 O     0.00000   -0.02113   -0.51705
 60 O     0.00000   -0.22019   -0.11857
 61 Pt   -0.00000    0.01984   -0.09855
 62 Pt   -0.00000    0.01673   -0.00632
 63 O    -0.01520   -0.00768    0.00275
 64 O     0.01520   -0.00768    0.00275
 65 O     0.00000    0.00082    0.00126
 66 O     0.00000   -0.01625   -0.00481
 67 Pt   -0.00000    0.01113    0.02395
 68 Pt   -0.00000    0.14865    0.02560
 69 O    -0.00821    0.00259   -0.03252
 70 O     0.00821    0.00259   -0.03252
 71 O    -0.00000    0.00871   -0.05484
 72 N    -0.00000    0.08496    0.18648
 73 N     0.00000   -0.16887    0.20287

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.969747   24.250552    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.873950   24.108957    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:10:43  -3.23   +inf  -414.174110    3      1      
iter:   2  23:12:57  -4.06  -3.37  -414.209494    3      1      
iter:   3  23:15:12  -4.45  -2.88  -414.184819    3      1      
iter:   4  23:17:24  -4.95  -3.26  -414.175764    3      1      
iter:   5  23:19:39  -4.81  -4.17  -414.175402    2      1      
iter:   6  23:21:54  -5.04  -4.14  -414.175613    2      1      
iter:   7  23:24:08  -5.83  -4.47  -414.175660    2      1      
iter:   8  23:26:22  -6.22  -4.40  -414.175774    2      1      
iter:   9  23:28:36  -6.00  -4.65  -414.175339    2      1      
iter:  10  23:30:51  -6.62  -4.66  -414.175748    2      1      
iter:  11  23:33:05  -6.88  -4.72  -414.175510    2      1      
iter:  12  23:35:18  -7.31  -4.90  -414.175504    2      1      
iter:  13  23:37:32  -7.44  -4.81  -414.175553    2      1      

Converged after 13 iterations.

Dipole moment: (-55.963050, -32.517636, 0.010399) |e|*Ang

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

Kinetic:        +18.725623
Potential:     -137.488090
External:        +0.000000
XC:            -305.128730
Entropy (-ST):   -1.566174
Local:          +10.498731
--------------------------
Free energy:   -414.958640
Extrapolated:  -414.175553

Fermi level: -6.52592

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59275    0.14692
  0   340     -6.57982    0.14035
  0   341     -6.57896    0.13990
  0   342     -6.55035    0.12461

  1   339     -6.50015    0.19374
  1   340     -6.45188    0.14351
  1   341     -6.41814    0.11285
  1   342     -6.41244    0.10812



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17474
  1 Pt    0.00000   -0.00298   -0.37506
  2 Pt    0.00000   -0.01909   -0.43379
  3 O    -1.68418    0.00027   -0.71846
  4 O     1.68418    0.00027   -0.71846
  5 O     0.00000   -0.01163   -1.38558
  6 O     0.00000   -0.00256    1.76337
  7 Pt   -0.00000    0.01381    0.45023
  8 Pt    0.00000   -0.03970    0.75083
  9 O    -1.58093    0.00048    0.05110
 10 O     1.58093    0.00048    0.05110
 11 O     0.00000   -0.00881   -0.56682
 12 O    -0.00000    0.01024    0.14089
 13 Pt   -0.00000    0.30415   -0.03974
 14 Pt    0.00000   -0.02014    0.00746
 15 O    -0.00113    0.01052    0.00303
 16 O     0.00113    0.01052    0.00303
 17 O    -0.00000    0.01102   -1.14186
 18 O    -0.00000    0.00256    0.02732
 19 Pt    0.00000   -0.01864    0.14101
 20 Pt    0.00000   -0.02516    0.20925
 21 O    -0.21744    0.40110    0.23722
 22 O     0.21744    0.40110    0.23722
 23 O     0.00000   -0.01765   -0.08994
 24 O     0.00000   -0.00101    1.15063
 25 Pt   -0.00000    0.01745   -0.37800
 26 Pt    0.00000   -0.00017   -0.43449
 27 O    -1.69271    0.01330   -0.71771
 28 O     1.69271    0.01330   -0.71771
 29 O    -0.00000    0.04504   -1.38822
 30 O     0.00000   -0.00452    1.83000
 31 Pt   -0.00000    0.01949    0.50987
 32 Pt    0.00000   -0.13906    0.57900
 33 O    -1.61413   -0.01883    0.07009
 34 O     1.61413   -0.01883    0.07009
 35 O     0.00000   -0.03246   -0.52604
 36 O    -0.00000    0.22744   -0.12207
 37 Pt    0.00000   -0.34122   -0.04513
 38 Pt    0.00000   -0.00397   -0.01244
 39 O     0.00988    0.01140    0.01505
 40 O    -0.00988    0.01140    0.01505
 41 O     0.00000   -0.00599    0.02480
 42 O    -0.00000    0.03613   -0.01894
 43 Pt    0.00000   -0.01817    0.09315
 44 Pt    0.00000   -0.05957   -0.03474
 45 O    -0.19702   -0.41677    0.17805
 46 O     0.19702   -0.41677    0.17805
 47 O     0.00000   -0.02330   -0.05993
 48 O    -0.00000    0.02243    1.17262
 49 Pt    0.00000   -0.02263   -0.37709
 50 Pt   -0.00000    0.02117   -0.43593
 51 O    -1.69202   -0.01389   -0.71788
 52 O     1.69202   -0.01389   -0.71788
 53 O     0.00000   -0.01043   -1.40518
 54 O     0.00000   -0.00218    1.77192
 55 Pt    0.00000   -0.01239    0.51568
 56 Pt   -0.00000    0.11955    0.65404
 57 O    -1.61426    0.01369    0.09050
 58 O     1.61426    0.01369    0.09050
 59 O     0.00000   -0.02129   -0.51725
 60 O     0.00000   -0.22057   -0.11887
 61 Pt   -0.00000    0.02008   -0.10034
 62 Pt   -0.00000    0.01722   -0.00775
 63 O    -0.01567   -0.00756    0.00247
 64 O     0.01567   -0.00756    0.00247
 65 O    -0.00000    0.00139   -0.00258
 66 O     0.00000   -0.01573   -0.00514
 67 Pt   -0.00000    0.01142    0.02277
 68 Pt   -0.00000    0.14829    0.02383
 69 O    -0.00816    0.00228   -0.03441
 70 O     0.00816    0.00228   -0.03441
 71 O    -0.00000    0.00916   -0.05559
 72 N     0.00000   -0.01506    0.07812
 73 N     0.00000   -0.03040    0.16416

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.983564   24.266094    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.886588   24.119984    ( 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  23:44:18  -2.89   +inf  -414.196015    3      1      
iter:   2  23:46:33  -3.46  -2.96  -414.676809    3      1      
iter:   3  23:48:47  -3.80  -2.25  -414.184740    3      1      
iter:   4  23:51:02  -4.43  -3.59  -414.179450    3      1      
iter:   5  23:53:17  -4.73  -3.72  -414.180693    3      1      
iter:   6  23:55:31  -4.73  -3.80  -414.179328    2      1      
iter:   7  23:57:38  -5.43  -4.15  -414.179437    2      1      
iter:   8  23:59:31  -5.63  -4.20  -414.179368    2      1      
iter:   9  00:01:41  -5.72  -4.36  -414.179012    2      1      
iter:  10  00:03:56  -5.80  -4.17  -414.180188    3      1      
iter:  11  00:06:11  -6.11  -4.13  -414.179127    2      1      
iter:  12  00:08:25  -6.80  -4.48  -414.179274    2      1      
iter:  13  00:10:39  -6.82  -4.76  -414.179290    2      1      
iter:  14  00:12:53  -6.98  -4.82  -414.179340    2      1      
iter:  15  00:15:08  -7.13  -4.73  -414.179372    2      1      
iter:  16  00:17:24  -7.27  -4.90  -414.179261    2      1      
iter:  17  00:19:38  -8.00  -5.09  -414.179321    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963032, -32.517466, 0.008949) |e|*Ang

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

Kinetic:        +18.492840
Potential:     -137.320827
External:        +0.000000
XC:            -305.066111
Entropy (-ST):   -1.566055
Local:          +10.497804
--------------------------
Free energy:   -414.962348
Extrapolated:  -414.179321

Fermi level: -6.52679

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59335    0.14678
  0   340     -6.58089    0.14046
  0   341     -6.58008    0.14003
  0   342     -6.55124    0.12463

  1   339     -6.50109    0.19382
  1   340     -6.45291    0.14367
  1   341     -6.41903    0.11287
  1   342     -6.41349    0.10827



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17463
  1 Pt    0.00000   -0.00295   -0.37467
  2 Pt    0.00000   -0.01903   -0.43364
  3 O    -1.68322    0.00026   -0.71856
  4 O     1.68322    0.00026   -0.71856
  5 O     0.00000   -0.01167   -1.38590
  6 O     0.00000   -0.00279    1.76736
  7 Pt   -0.00000    0.01382    0.45164
  8 Pt    0.00000   -0.04006    0.75210
  9 O    -1.58091    0.00057    0.05127
 10 O     1.58091    0.00057    0.05127
 11 O     0.00000   -0.00894   -0.56669
 12 O    -0.00000    0.01018    0.14085
 13 Pt   -0.00000    0.30443   -0.03783
 14 Pt    0.00000   -0.01962    0.00897
 15 O    -0.00085    0.01046    0.00333
 16 O     0.00085    0.01046    0.00333
 17 O    -0.00000    0.01141   -1.13927
 18 O    -0.00000    0.00304    0.02714
 19 Pt    0.00000   -0.01874    0.14092
 20 Pt    0.00000   -0.02699    0.20335
 21 O    -0.21871    0.40192    0.23651
 22 O     0.21871    0.40192    0.23651
 23 O     0.00000   -0.01850   -0.09139
 24 O     0.00000   -0.00098    1.15049
 25 Pt   -0.00000    0.01744   -0.37780
 26 Pt    0.00000   -0.00014   -0.43461
 27 O    -1.69181    0.01337   -0.71784
 28 O     1.69181    0.01337   -0.71784
 29 O    -0.00000    0.04500   -1.38884
 30 O     0.00000   -0.00456    1.83337
 31 Pt   -0.00000    0.01941    0.51144
 32 Pt    0.00000   -0.13901    0.58069
 33 O    -1.61395   -0.01905    0.07034
 34 O     1.61395   -0.01905    0.07034
 35 O     0.00000   -0.03247   -0.52565
 36 O    -0.00000    0.22774   -0.12187
 37 Pt    0.00000   -0.34128   -0.04337
 38 Pt    0.00000   -0.00388   -0.01065
 39 O     0.00993    0.01170    0.01549
 40 O    -0.00993    0.01170    0.01549
 41 O     0.00000   -0.00596    0.02542
 42 O    -0.00000    0.03591   -0.01919
 43 Pt    0.00000   -0.01827    0.09061
 44 Pt    0.00000   -0.05724   -0.04706
 45 O    -0.19796   -0.41845    0.17798
 46 O     0.19796   -0.41845    0.17798
 47 O     0.00000   -0.02230   -0.06208
 48 O    -0.00000    0.02236    1.17249
 49 Pt    0.00000   -0.02264   -0.37698
 50 Pt   -0.00000    0.02108   -0.43586
 51 O    -1.69115   -0.01394   -0.71800
 52 O     1.69115   -0.01394   -0.71800
 53 O     0.00000   -0.01034   -1.40556
 54 O     0.00000   -0.00190    1.77583
 55 Pt    0.00000   -0.01231    0.51732
 56 Pt   -0.00000    0.11985    0.65543
 57 O    -1.61402    0.01383    0.09076
 58 O     1.61402    0.01383    0.09076
 59 O     0.00000   -0.02115   -0.51699
 60 O     0.00000   -0.22085   -0.11887
 61 Pt   -0.00000    0.01991   -0.09867
 62 Pt   -0.00000    0.01661   -0.00640
 63 O    -0.01567   -0.00779    0.00274
 64 O     0.01567   -0.00779    0.00274
 65 O     0.00000    0.00097    0.00227
 66 O     0.00000   -0.01598   -0.00533
 67 Pt   -0.00000    0.01158    0.02147
 68 Pt   -0.00000    0.14854    0.02203
 69 O    -0.00888    0.00257   -0.03559
 70 O     0.00888    0.00257   -0.03559
 71 O    -0.00000    0.00909   -0.05653
 72 N     0.00000   -0.20314    0.03909
 73 N    -0.00000    0.19765    0.26758

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.995833   24.283782    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.900478   24.133322    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:24:26  -2.83   +inf  -414.186908    3      1      
iter:   2  00:26:39  -3.78  -3.62  -414.188617    3      1      
iter:   3  00:28:54  -4.35  -3.22  -414.185471    2      1      
iter:   4  00:31:09  -4.79  -3.39  -414.187276    3      1      
iter:   5  00:33:22  -4.51  -3.71  -414.183415    3      1      
iter:   6  00:35:27  -4.83  -3.74  -414.183864    2      1      
iter:   7  00:37:20  -5.46  -4.20  -414.184089    2      1      
iter:   8  00:39:38  -5.52  -4.46  -414.184462    3      1      
iter:   9  00:41:57  -5.83  -4.28  -414.184165    3      1      
iter:  10  00:44:12  -5.96  -3.85  -414.184031    2      1      
iter:  11  00:46:24  -6.65  -4.75  -414.184200    2      1      
iter:  12  00:48:39  -6.83  -4.52  -414.183876    2      1      
iter:  13  00:50:54  -7.03  -4.70  -414.183980    2      1      
iter:  14  00:53:07  -7.14  -4.91  -414.183933    2      1      
iter:  15  00:55:22  -7.56  -5.09  -414.183987    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963110, -32.516982, 0.007262) |e|*Ang

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

Kinetic:        +18.552345
Potential:     -137.365565
External:        +0.000000
XC:            -305.084665
Entropy (-ST):   -1.566128
Local:          +10.496962
--------------------------
Free energy:   -414.967051
Extrapolated:  -414.183987

Fermi level: -6.52872

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59544    0.14686
  0   340     -6.58263    0.14036
  0   341     -6.58178    0.13992
  0   342     -6.55340    0.12476

  1   339     -6.50287    0.19366
  1   340     -6.45468    0.14352
  1   341     -6.42086    0.11279
  1   342     -6.41575    0.10854



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17423
  1 Pt    0.00000   -0.00295   -0.37587
  2 Pt    0.00000   -0.01902   -0.43482
  3 O    -1.68404    0.00025   -0.71882
  4 O     1.68404    0.00025   -0.71882
  5 O     0.00000   -0.01163   -1.38579
  6 O     0.00000   -0.00280    1.76317
  7 Pt   -0.00000    0.01380    0.44967
  8 Pt    0.00000   -0.04016    0.75099
  9 O    -1.58094    0.00058    0.05082
 10 O     1.58094    0.00058    0.05082
 11 O     0.00000   -0.00894   -0.56732
 12 O    -0.00000    0.01008    0.14049
 13 Pt   -0.00000    0.30507   -0.03912
 14 Pt    0.00000   -0.01976    0.00810
 15 O    -0.00030    0.01044    0.00300
 16 O     0.00030    0.01044    0.00300
 17 O    -0.00000    0.01112   -1.14402
 18 O    -0.00000    0.00272    0.02775
 19 Pt    0.00000   -0.01840    0.14409
 20 Pt    0.00000   -0.02712    0.21027
 21 O    -0.21786    0.40214    0.23952
 22 O     0.21786    0.40214    0.23952
 23 O     0.00000   -0.01745   -0.08875
 24 O     0.00000   -0.00095    1.15009
 25 Pt   -0.00000    0.01746   -0.37897
 26 Pt    0.00000   -0.00011   -0.43582
 27 O    -1.69263    0.01338   -0.71811
 28 O     1.69263    0.01338   -0.71811
 29 O    -0.00000    0.04493   -1.38884
 30 O     0.00000   -0.00462    1.82910
 31 Pt   -0.00000    0.01942    0.50950
 32 Pt    0.00000   -0.13891    0.57971
 33 O    -1.61397   -0.01903    0.06990
 34 O     1.61397   -0.01903    0.06990
 35 O     0.00000   -0.03249   -0.52624
 36 O    -0.00000    0.22814   -0.12252
 37 Pt    0.00000   -0.34174   -0.04512
 38 Pt    0.00000   -0.00364   -0.01161
 39 O     0.01051    0.01171    0.01501
 40 O    -0.01051    0.01171    0.01501
 41 O     0.00000   -0.00563    0.02099
 42 O    -0.00000    0.03625   -0.01861
 43 Pt    0.00000   -0.01833    0.09704
 44 Pt    0.00000   -0.05717   -0.04166
 45 O    -0.19897   -0.41838    0.18674
 46 O     0.19897   -0.41838    0.18674
 47 O     0.00000   -0.02335   -0.05937
 48 O    -0.00000    0.02233    1.17208
 49 Pt    0.00000   -0.02266   -0.37823
 50 Pt   -0.00000    0.02105   -0.43712
 51 O    -1.69199   -0.01395   -0.71827
 52 O     1.69199   -0.01395   -0.71827
 53 O     0.00000   -0.01032   -1.40546
 54 O     0.00000   -0.00184    1.77162
 55 Pt    0.00000   -0.01230    0.51542
 56 Pt   -0.00000    0.11986    0.65439
 57 O    -1.61403    0.01380    0.09032
 58 O     1.61403    0.01380    0.09032
 59 O     0.00000   -0.02112   -0.51753
 60 O     0.00000   -0.22113   -0.11930
 61 Pt   -0.00000    0.01967   -0.10030
 62 Pt   -0.00000    0.01649   -0.00724
 63 O    -0.01527   -0.00778    0.00242
 64 O     0.01527   -0.00778    0.00242
 65 O    -0.00000    0.00108   -0.00120
 66 O     0.00000   -0.01602   -0.00496
 67 Pt   -0.00000    0.01135    0.02452
 68 Pt   -0.00000    0.14858    0.02718
 69 O    -0.00790    0.00198   -0.03258
 70 O     0.00790    0.00198   -0.03258
 71 O    -0.00000    0.00908   -0.05429
 72 N     0.00000   -0.08804    0.16018
 73 N    -0.00000    0.05198    0.22466

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.010943   24.299778    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.915221   24.145251    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:01:53  -2.84   +inf  -414.204961    2      1      
iter:   2  01:04:08  -3.42  -2.95  -414.716303    3      1      
iter:   3  01:06:21  -3.80  -2.24  -414.191740    3      1      
iter:   4  01:08:35  -4.44  -3.66  -414.186910    3      1      
iter:   5  01:10:50  -4.73  -3.70  -414.188562    3      1      
iter:   6  01:13:04  -4.69  -3.89  -414.186892    2      1      
iter:   7  01:15:18  -5.50  -4.12  -414.187197    2      1      
iter:   8  01:17:34  -5.71  -4.36  -414.187199    2      1      
iter:   9  01:19:48  -5.79  -4.16  -414.187020    2      1      
iter:  10  01:21:46  -5.77  -4.07  -414.188306    3      1      
iter:  11  01:23:40  -6.00  -4.08  -414.187068    3      1      
iter:  12  01:25:58  -6.78  -4.66  -414.187168    2      1      
iter:  13  01:28:19  -6.63  -4.84  -414.187191    2      1      
iter:  14  01:30:36  -6.90  -4.84  -414.187219    2      1      
iter:  15  01:32:50  -7.40  -4.95  -414.187223    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963083, -32.517176, 0.007389) |e|*Ang

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

Kinetic:        +18.439864
Potential:     -137.291635
External:        +0.000000
XC:            -305.049172
Entropy (-ST):   -1.566082
Local:          +10.496760
--------------------------
Free energy:   -414.970264
Extrapolated:  -414.187223

Fermi level: -6.52868

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59542    0.14687
  0   340     -6.58254    0.14033
  0   341     -6.58169    0.13989
  0   342     -6.55350    0.12483

  1   339     -6.50274    0.19357
  1   340     -6.45461    0.14349
  1   341     -6.42081    0.11278
  1   342     -6.41594    0.10873



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17477
  1 Pt    0.00000   -0.00293   -0.37538
  2 Pt    0.00000   -0.01904   -0.43419
  3 O    -1.68470    0.00026   -0.71836
  4 O     1.68470    0.00026   -0.71836
  5 O     0.00000   -0.01164   -1.38528
  6 O     0.00000   -0.00291    1.76213
  7 Pt   -0.00000    0.01372    0.44991
  8 Pt    0.00000   -0.04024    0.75131
  9 O    -1.58090    0.00056    0.05101
 10 O     1.58090    0.00056    0.05101
 11 O     0.00000   -0.00896   -0.56729
 12 O    -0.00000    0.01019    0.14076
 13 Pt   -0.00000    0.30572   -0.03857
 14 Pt    0.00000   -0.01964    0.00857
 15 O    -0.00003    0.01044    0.00319
 16 O     0.00003    0.01044    0.00319
 17 O    -0.00000    0.01086   -1.14666
 18 O    -0.00000    0.00262    0.02763
 19 Pt    0.00000   -0.01830    0.14156
 20 Pt    0.00000   -0.02733    0.20648
 21 O    -0.21816    0.40264    0.23745
 22 O     0.21816    0.40264    0.23745
 23 O     0.00000   -0.01848   -0.09088
 24 O     0.00000   -0.00095    1.15062
 25 Pt   -0.00000    0.01746   -0.37850
 26 Pt    0.00000   -0.00012   -0.43519
 27 O    -1.69329    0.01337   -0.71768
 28 O     1.69329    0.01337   -0.71768
 29 O    -0.00000    0.04488   -1.38840
 30 O     0.00000   -0.00465    1.82831
 31 Pt   -0.00000    0.01961    0.50985
 32 Pt    0.00000   -0.13875    0.58023
 33 O    -1.61392   -0.01894    0.07010
 34 O     1.61392   -0.01894    0.07010
 35 O     0.00000   -0.03248   -0.52586
 36 O    -0.00000    0.22854   -0.12304
 37 Pt    0.00000   -0.34242   -0.04472
 38 Pt    0.00000   -0.00367   -0.01187
 39 O     0.01050    0.01183    0.01521
 40 O    -0.01050    0.01183    0.01521
 41 O     0.00000   -0.00557    0.02071
 42 O    -0.00000    0.03610   -0.01885
 43 Pt    0.00000   -0.01871    0.09489
 44 Pt    0.00000   -0.05675   -0.04544
 45 O    -0.20026   -0.41891    0.18661
 46 O     0.20026   -0.41891    0.18661
 47 O     0.00000   -0.02270   -0.06104
 48 O    -0.00000    0.02236    1.17262
 49 Pt    0.00000   -0.02268   -0.37777
 50 Pt   -0.00000    0.02107   -0.43650
 51 O    -1.69266   -0.01395   -0.71784
 52 O     1.69266   -0.01395   -0.71784
 53 O     0.00000   -0.01027   -1.40495
 54 O     0.00000   -0.00169    1.77071
 55 Pt    0.00000   -0.01241    0.51584
 56 Pt   -0.00000    0.11978    0.65480
 57 O    -1.61400    0.01373    0.09052
 58 O     1.61400    0.01373    0.09052
 59 O     0.00000   -0.02111   -0.51732
 60 O     0.00000   -0.22163   -0.11930
 61 Pt   -0.00000    0.01973   -0.10017
 62 Pt   -0.00000    0.01641   -0.00722
 63 O    -0.01538   -0.00790    0.00245
 64 O     0.01538   -0.00790    0.00245
 65 O    -0.00000    0.00139   -0.00206
 66 O     0.00000   -0.01579   -0.00513
 67 Pt   -0.00000    0.01166    0.02218
 68 Pt   -0.00000    0.14826    0.02249
 69 O    -0.00873    0.00174   -0.03503
 70 O     0.00873    0.00174   -0.03503
 71 O    -0.00000    0.00943   -0.05598
 72 N     0.00000   -0.24876    0.08804
 73 N    -0.00000    0.25078    0.23615

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.026296   24.314448    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.931224   24.157428    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:41:42  -2.83   +inf  -414.251256    3      1      
iter:   2  01:43:57  -3.07  -2.71  -415.887564    3      1      
iter:   3  01:46:12  -3.42  -2.00  -414.196880    3      1      
iter:   4  01:48:27  -4.16  -3.45  -414.193872    2      1      
iter:   5  01:50:41  -4.23  -3.80  -414.190342    2      1      
iter:   6  01:52:56  -4.74  -3.80  -414.189445    3      1      
iter:   7  01:55:11  -5.12  -3.94  -414.191333    3      1      
iter:   8  01:57:25  -5.52  -4.14  -414.191127    3      1      
iter:   9  01:59:40  -5.76  -4.27  -414.191363    2      1      
iter:  10  02:01:54  -5.87  -4.04  -414.190937    3      1      
iter:  11  02:04:07  -5.92  -4.36  -414.191132    2      1      
iter:  12  02:06:22  -6.28  -4.59  -414.191041    2      1      
iter:  13  02:08:36  -6.62  -4.70  -414.191323    2      1      
iter:  14  02:10:50  -7.26  -4.80  -414.191178    2      1      
iter:  15  02:13:06  -7.59  -4.72  -414.191161    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963074, -32.517185, 0.007517) |e|*Ang

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

Kinetic:        +18.414920
Potential:     -137.270209
External:        +0.000000
XC:            -305.047948
Entropy (-ST):   -1.566250
Local:          +10.495200
--------------------------
Free energy:   -414.974286
Extrapolated:  -414.191161

Fermi level: -6.52864

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59549    0.14692
  0   340     -6.58236    0.14026
  0   341     -6.58149    0.13981
  0   342     -6.55367    0.12495

  1   339     -6.50266    0.19351
  1   340     -6.45445    0.14337
  1   341     -6.42077    0.11278
  1   342     -6.41618    0.10896



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17503
  1 Pt    0.00000   -0.00294   -0.37544
  2 Pt    0.00000   -0.01905   -0.43384
  3 O    -1.68517    0.00026   -0.71854
  4 O     1.68517    0.00026   -0.71854
  5 O     0.00000   -0.01157   -1.38505
  6 O     0.00000   -0.00277    1.76028
  7 Pt   -0.00000    0.01376    0.44913
  8 Pt    0.00000   -0.04028    0.75123
  9 O    -1.58093    0.00056    0.05083
 10 O     1.58093    0.00056    0.05083
 11 O     0.00000   -0.00894   -0.56660
 12 O    -0.00000    0.00976    0.14093
 13 Pt   -0.00000    0.30596   -0.03936
 14 Pt    0.00000   -0.01981    0.00793
 15 O     0.00001    0.01046    0.00308
 16 O    -0.00001    0.01046    0.00308
 17 O    -0.00000    0.01075   -1.15164
 18 O    -0.00000    0.00295    0.02865
 19 Pt    0.00000   -0.01829    0.14144
 20 Pt    0.00000   -0.02556    0.20999
 21 O    -0.21803    0.40246    0.23952
 22 O     0.21803    0.40246    0.23952
 23 O     0.00000   -0.01785   -0.09205
 24 O     0.00000   -0.00094    1.15090
 25 Pt   -0.00000    0.01748   -0.37849
 26 Pt    0.00000   -0.00012   -0.43477
 27 O    -1.69374    0.01336   -0.71784
 28 O     1.69374    0.01336   -0.71784
 29 O    -0.00000    0.04485   -1.38804
 30 O     0.00000   -0.00459    1.82648
 31 Pt   -0.00000    0.01947    0.50895
 32 Pt    0.00000   -0.13861    0.57985
 33 O    -1.61395   -0.01901    0.06991
 34 O     1.61395   -0.01901    0.06991
 35 O     0.00000   -0.03247   -0.52559
 36 O    -0.00000    0.22856   -0.12199
 37 Pt    0.00000   -0.34200   -0.04521
 38 Pt    0.00000   -0.00371   -0.01172
 39 O     0.01091    0.01174    0.01521
 40 O    -0.01091    0.01174    0.01521
 41 O     0.00000   -0.00494    0.01645
 42 O    -0.00000    0.03621   -0.01791
 43 Pt    0.00000   -0.01864    0.09702
 44 Pt    0.00000   -0.05914   -0.04097
 45 O    -0.20215   -0.41892    0.19410
 46 O     0.20215   -0.41892    0.19410
 47 O     0.00000   -0.02335   -0.06174
 48 O    -0.00000    0.02237    1.17289
 49 Pt    0.00000   -0.02269   -0.37774
 50 Pt   -0.00000    0.02109   -0.43615
 51 O    -1.69310   -0.01394   -0.71799
 52 O     1.69310   -0.01394   -0.71799
 53 O     0.00000   -0.01030   -1.40462
 54 O     0.00000   -0.00189    1.76889
 55 Pt    0.00000   -0.01231    0.51483
 56 Pt   -0.00000    0.11969    0.65456
 57 O    -1.61407    0.01380    0.09031
 58 O     1.61407    0.01380    0.09031
 59 O     0.00000   -0.02116   -0.51680
 60 O     0.00000   -0.22122   -0.11883
 61 Pt   -0.00000    0.01906   -0.10007
 62 Pt   -0.00000    0.01661   -0.00738
 63 O    -0.01487   -0.00781    0.00261
 64 O     0.01487   -0.00781    0.00261
 65 O     0.00000    0.00094   -0.00464
 66 O     0.00000   -0.01617   -0.00416
 67 Pt   -0.00000    0.01167    0.02157
 68 Pt   -0.00000    0.14853    0.02198
 69 O    -0.00777    0.00173   -0.03321
 70 O     0.00777    0.00173   -0.03321
 71 O    -0.00000    0.00930   -0.05694
 72 N     0.00000   -0.19357    0.00988
 73 N    -0.00000    0.20915    0.17002

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          O          Pt            
            Pt   O     O           
                   PtO             
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  PtO       O             
            O   O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.039819   24.331081    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.945952   24.171318    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:18:09  -2.82   +inf  -414.358666    3      1      
iter:   2  02:20:02  -2.70  -2.50  -418.416699    3      1      
iter:   3  02:22:23  -3.09  -1.83  -414.218986    3      1      
iter:   4  02:24:43  -3.69  -2.95  -414.204209    3      1      
iter:   5  02:27:00  -4.22  -3.49  -414.198056    3      1      
iter:   6  02:29:13  -4.45  -3.57  -414.196549    3      1      
iter:   7  02:31:27  -4.68  -3.74  -414.196563    3      1      
iter:   8  02:33:40  -5.05  -3.80  -414.197084    3      1      
iter:   9  02:35:53  -5.56  -4.23  -414.196986    2      1      
iter:  10  02:38:07  -5.74  -4.34  -414.197521    3      1      
iter:  11  02:40:21  -5.70  -4.12  -414.196283    3      1      
iter:  12  02:42:36  -6.16  -4.19  -414.197329    2      1      
iter:  13  02:44:49  -6.30  -3.83  -414.196985    2      1      
iter:  14  02:47:04  -6.87  -4.66  -414.196918    2      1      
iter:  15  02:49:18  -6.97  -4.77  -414.196960    2      1      
iter:  16  02:51:30  -7.08  -4.84  -414.196838    2      1      
iter:  17  02:53:45  -7.43  -5.05  -414.196892    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963103, -32.516466, 0.004161) |e|*Ang

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

Kinetic:        +18.542128
Potential:     -137.381025
External:        +0.000000
XC:            -305.067158
Entropy (-ST):   -1.566236
Local:          +10.492281
--------------------------
Free energy:   -414.980010
Extrapolated:  -414.196892

Fermi level: -6.53100

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59746    0.14674
  0   340     -6.58496    0.14039
  0   341     -6.58416    0.13997
  0   342     -6.55608    0.12497

  1   339     -6.50516    0.19368
  1   340     -6.45698    0.14354
  1   341     -6.42322    0.11286
  1   342     -6.41868    0.10908



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17440
  1 Pt    0.00000   -0.00294   -0.37527
  2 Pt    0.00000   -0.01904   -0.43372
  3 O    -1.68378    0.00026   -0.71838
  4 O     1.68378    0.00026   -0.71838
  5 O     0.00000   -0.01153   -1.38571
  6 O     0.00000   -0.00276    1.76581
  7 Pt   -0.00000    0.01374    0.45072
  8 Pt    0.00000   -0.04037    0.75245
  9 O    -1.58072    0.00055    0.05117
 10 O     1.58072    0.00055    0.05117
 11 O     0.00000   -0.00892   -0.56719
 12 O    -0.00000    0.00977    0.14048
 13 Pt   -0.00000    0.30666   -0.03793
 14 Pt    0.00000   -0.01984    0.00913
 15 O    -0.00026    0.01044    0.00327
 16 O     0.00026    0.01044    0.00327
 17 O    -0.00000    0.01083   -1.14933
 18 O    -0.00000    0.00274    0.02744
 19 Pt    0.00000   -0.01847    0.14403
 20 Pt    0.00000   -0.02710    0.21287
 21 O    -0.21859    0.40320    0.23920
 22 O     0.21859    0.40320    0.23920
 23 O     0.00000   -0.01734   -0.08956
 24 O     0.00000   -0.00094    1.15028
 25 Pt   -0.00000    0.01750   -0.37829
 26 Pt    0.00000   -0.00013   -0.43468
 27 O    -1.69234    0.01337   -0.71768
 28 O     1.69234    0.01337   -0.71768
 29 O    -0.00000    0.04481   -1.38871
 30 O     0.00000   -0.00461    1.83193
 31 Pt   -0.00000    0.01947    0.51055
 32 Pt    0.00000   -0.13847    0.58120
 33 O    -1.61370   -0.01902    0.07027
 34 O     1.61370   -0.01902    0.07027
 35 O     0.00000   -0.03252   -0.52620
 36 O    -0.00000    0.22880   -0.12276
 37 Pt    0.00000   -0.34272   -0.04414
 38 Pt    0.00000   -0.00373   -0.01058
 39 O     0.01073    0.01172    0.01532
 40 O    -0.01073    0.01172    0.01532
 41 O     0.00000   -0.00491    0.02028
 42 O    -0.00000    0.03599   -0.01896
 43 Pt    0.00000   -0.01859    0.10105
 44 Pt    0.00000   -0.05822   -0.04376
 45 O    -0.20364   -0.41988    0.19682
 46 O     0.20364   -0.41988    0.19682
 47 O     0.00000   -0.02384   -0.05977
 48 O    -0.00000    0.02236    1.17227
 49 Pt    0.00000   -0.02271   -0.37755
 50 Pt   -0.00000    0.02108   -0.43607
 51 O    -1.69170   -0.01394   -0.71783
 52 O     1.69170   -0.01394   -0.71783
 53 O     0.00000   -0.01030   -1.40518
 54 O     0.00000   -0.00188    1.77444
 55 Pt    0.00000   -0.01229    0.51644
 56 Pt   -0.00000    0.11964    0.65575
 57 O    -1.61388    0.01382    0.09063
 58 O     1.61388    0.01382    0.09063
 59 O     0.00000   -0.02113   -0.51740
 60 O     0.00000   -0.22146   -0.11938
 61 Pt   -0.00000    0.01903   -0.09940
 62 Pt   -0.00000    0.01667   -0.00609
 63 O    -0.01514   -0.00779    0.00265
 64 O     0.01514   -0.00779    0.00265
 65 O    -0.00000    0.00113    0.00007
 66 O     0.00000   -0.01576   -0.00544
 67 Pt   -0.00000    0.01175    0.02417
 68 Pt   -0.00000    0.14933    0.02629
 69 O    -0.00806    0.00137   -0.03264
 70 O     0.00806    0.00137   -0.03264
 71 O    -0.00000    0.00941   -0.05512
 72 N     0.00000   -0.07928    0.17129
 73 N    -0.00000    0.00518    0.26528

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          O          Pt            
            Pt   O     O           
                   PtO             
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  PtO       O             
            O   O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.059071   24.342788    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.963231   24.184123    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:58:46  -2.77   +inf  -414.200437    3      1      
iter:   2  03:01:00  -3.68  -3.56  -414.206627    3      1      
iter:   3  03:03:14  -4.24  -3.45  -414.206191    3      1      
iter:   4  03:05:29  -4.64  -3.23  -414.200767    3      1      
iter:   5  03:07:43  -4.37  -3.39  -414.201649    3      1      
iter:   6  03:09:56  -4.75  -3.85  -414.200656    2      1      
iter:   7  03:12:11  -5.41  -4.35  -414.200696    2      1      
iter:   8  03:14:25  -5.50  -4.30  -414.200091    2      1      
iter:   9  03:16:39  -5.64  -4.26  -414.201388    3      1      
iter:  10  03:18:52  -5.95  -3.85  -414.200827    2      1      
iter:  11  03:20:46  -6.30  -4.15  -414.200330    2      1      
iter:  12  03:22:39  -6.76  -4.58  -414.200443    2      1      
iter:  13  03:24:32  -6.78  -4.83  -414.200460    2      1      
iter:  14  03:26:25  -6.80  -4.97  -414.200507    2      1      
iter:  15  03:28:35  -7.15  -5.04  -414.200342    2      1      
iter:  16  03:30:56  -7.63  -4.77  -414.200442    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963141, -32.516221, 0.004784) |e|*Ang

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

Kinetic:        +18.262342
Potential:     -137.167521
External:        +0.000000
XC:            -305.002317
Entropy (-ST):   -1.566271
Local:          +10.490189
--------------------------
Free energy:   -414.983578
Extrapolated:  -414.200442

Fermi level: -6.53082

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59756    0.14687
  0   340     -6.58458    0.14028
  0   341     -6.58374    0.13985
  0   342     -6.55610    0.12508

  1   339     -6.50485    0.19352
  1   340     -6.45662    0.14336
  1   341     -6.42304    0.11285
  1   342     -6.41873    0.10927



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17502
  1 Pt    0.00000   -0.00295   -0.37512
  2 Pt    0.00000   -0.01898   -0.43341
  3 O    -1.68472    0.00024   -0.71826
  4 O     1.68472    0.00024   -0.71826
  5 O     0.00000   -0.01153   -1.38571
  6 O     0.00000   -0.00282    1.76156
  7 Pt   -0.00000    0.01383    0.44926
  8 Pt    0.00000   -0.04053    0.75104
  9 O    -1.58120    0.00058    0.05088
 10 O     1.58120    0.00058    0.05088
 11 O     0.00000   -0.00895   -0.56747
 12 O    -0.00000    0.00978    0.13989
 13 Pt   -0.00000    0.30723   -0.03946
 14 Pt    0.00000   -0.01965    0.00766
 15 O    -0.00041    0.01054    0.00317
 16 O     0.00041    0.01054    0.00317
 17 O    -0.00000    0.01085   -1.15400
 18 O    -0.00000    0.00302    0.02824
 19 Pt    0.00000   -0.01833    0.14124
 20 Pt    0.00000   -0.02665    0.21151
 21 O    -0.21851    0.40362    0.23803
 22 O     0.21851    0.40362    0.23803
 23 O     0.00000   -0.01791   -0.09124
 24 O     0.00000   -0.00092    1.15089
 25 Pt   -0.00000    0.01751   -0.37822
 26 Pt    0.00000   -0.00011   -0.43454
 27 O    -1.69333    0.01341   -0.71756
 28 O     1.69333    0.01341   -0.71756
 29 O    -0.00000    0.04477   -1.38889
 30 O     0.00000   -0.00457    1.82706
 31 Pt   -0.00000    0.01932    0.50908
 32 Pt    0.00000   -0.13838    0.58005
 33 O    -1.61408   -0.01911    0.06998
 34 O     1.61408   -0.01911    0.06998
 35 O     0.00000   -0.03251   -0.52645
 36 O    -0.00000    0.22913   -0.12342
 37 Pt    0.00000   -0.34325   -0.04571
 38 Pt    0.00000   -0.00369   -0.01152
 39 O     0.01051    0.01166    0.01531
 40 O    -0.01051    0.01166    0.01531
 41 O     0.00000   -0.00469    0.01460
 42 O    -0.00000    0.03655   -0.01844
 43 Pt    0.00000   -0.01885    0.09823
 44 Pt    0.00000   -0.05778   -0.04713
 45 O    -0.20434   -0.42098    0.19772
 46 O     0.20434   -0.42098    0.19772
 47 O     0.00000   -0.02281   -0.06168
 48 O    -0.00000    0.02230    1.17289
 49 Pt    0.00000   -0.02271   -0.37752
 50 Pt   -0.00000    0.02100   -0.43582
 51 O    -1.69271   -0.01397   -0.71770
 52 O     1.69271   -0.01397   -0.71770
 53 O     0.00000   -0.01027   -1.40526
 54 O     0.00000   -0.00187    1.76999
 55 Pt    0.00000   -0.01224    0.51488
 56 Pt   -0.00000    0.11971    0.65445
 57 O    -1.61427    0.01387    0.09033
 58 O     1.61427    0.01387    0.09033
 59 O     0.00000   -0.02111   -0.51771
 60 O     0.00000   -0.22183   -0.12000
 61 Pt   -0.00000    0.01901   -0.10093
 62 Pt   -0.00000    0.01643   -0.00734
 63 O    -0.01530   -0.00782    0.00266
 64 O     0.01530   -0.00782    0.00266
 65 O     0.00000    0.00099   -0.00405
 66 O     0.00000   -0.01660   -0.00483
 67 Pt   -0.00000    0.01190    0.02048
 68 Pt   -0.00000    0.14806    0.02150
 69 O    -0.00782    0.00164   -0.03469
 70 O     0.00782    0.00164   -0.03469
 71 O    -0.00000    0.00887   -0.05673
 72 N     0.00000   -0.34383    0.08661
 73 N    -0.00000    0.27993    0.25122

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          O          Pt            
            Pt   O     O           
                   PtO             
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  PtO       O             
            O   O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.057411   24.353951    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.966564   24.192209    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:37:27  -3.33   +inf  -414.453131    4      1      
iter:   2  03:39:42  -2.56  -2.42  -420.175091    4      1      
iter:   3  03:41:57  -2.94  -1.77  -414.239345    4      1      
iter:   4  03:44:11  -3.51  -2.82  -414.215618    3      1      
iter:   5  03:46:25  -4.18  -3.32  -414.207165    3      1      
iter:   6  03:48:39  -4.55  -3.48  -414.204736    2      1      
iter:   7  03:50:52  -4.73  -3.58  -414.203336    3      1      
iter:   8  03:53:06  -5.16  -4.07  -414.203838    3      1      
iter:   9  03:55:19  -5.09  -4.17  -414.203418    3      1      
iter:  10  03:57:20  -5.57  -4.20  -414.203575    3      1      
iter:  11  03:59:13  -6.16  -4.36  -414.203124    2      1      
iter:  12  04:01:18  -6.48  -4.38  -414.203562    2      1      
iter:  13  04:03:38  -6.65  -4.26  -414.203385    2      1      
iter:  14  04:05:58  -6.76  -4.55  -414.203258    2      1      
iter:  15  04:08:15  -6.87  -4.52  -414.203310    2      1      
iter:  16  04:10:30  -7.02  -4.65  -414.203275    2      1      
iter:  17  04:12:44  -7.30  -4.78  -414.203310    2      1      
iter:  18  04:14:59  -7.61  -5.07  -414.203283    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963209, -32.516039, 0.003078) |e|*Ang

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

Kinetic:        +18.903302
Potential:     -137.672322
External:        +0.000000
XC:            -305.141550
Entropy (-ST):   -1.566270
Local:          +10.490421
--------------------------
Free energy:   -414.986419
Extrapolated:  -414.203283

Fermi level: -6.53163

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59793    0.14666
  0   340     -6.58565    0.14041
  0   341     -6.58490    0.14003
  0   342     -6.55689    0.12507

  1   339     -6.50585    0.19374
  1   340     -6.45764    0.14357
  1   341     -6.42393    0.11292
  1   342     -6.41955    0.10928



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17439
  1 Pt    0.00000   -0.00293   -0.37494
  2 Pt    0.00000   -0.01905   -0.43337
  3 O    -1.68313    0.00026   -0.71861
  4 O     1.68313    0.00026   -0.71861
  5 O     0.00000   -0.01148   -1.38613
  6 O     0.00000   -0.00272    1.76770
  7 Pt   -0.00000    0.01385    0.45155
  8 Pt    0.00000   -0.04047    0.75265
  9 O    -1.58114    0.00057    0.05101
 10 O     1.58114    0.00057    0.05101
 11 O     0.00000   -0.00891   -0.56702
 12 O    -0.00000    0.00958    0.13924
 13 Pt   -0.00000    0.30721   -0.03845
 14 Pt    0.00000   -0.01997    0.00818
 15 O    -0.00106    0.01066    0.00286
 16 O     0.00106    0.01066    0.00286
 17 O    -0.00000    0.01060   -1.14992
 18 O    -0.00000    0.00252    0.02728
 19 Pt    0.00000   -0.01790    0.14549
 20 Pt    0.00000   -0.02717    0.21775
 21 O    -0.21903    0.40422    0.24162
 22 O     0.21903    0.40422    0.24162
 23 O     0.00000   -0.01648   -0.08909
 24 O     0.00000   -0.00092    1.15025
 25 Pt   -0.00000    0.01751   -0.37794
 26 Pt    0.00000   -0.00012   -0.43431
 27 O    -1.69169    0.01335   -0.71792
 28 O     1.69169    0.01335   -0.71792
 29 O    -0.00000    0.04476   -1.38916
 30 O     0.00000   -0.00449    1.83378
 31 Pt   -0.00000    0.01934    0.51134
 32 Pt    0.00000   -0.13828    0.58150
 33 O    -1.61410   -0.01905    0.07009
 34 O     1.61410   -0.01905    0.07009
 35 O     0.00000   -0.03250   -0.52628
 36 O    -0.00000    0.22890   -0.12364
 37 Pt    0.00000   -0.34291   -0.04494
 38 Pt    0.00000   -0.00363   -0.01113
 39 O     0.01005    0.01150    0.01486
 40 O    -0.01005    0.01150    0.01486
 41 O     0.00000   -0.00411    0.01974
 42 O    -0.00000    0.03707   -0.01928
 43 Pt    0.00000   -0.01891    0.10572
 44 Pt    0.00000   -0.05811   -0.04137
 45 O    -0.20676   -0.42079    0.20609
 46 O     0.20676   -0.42079    0.20609
 47 O     0.00000   -0.02402   -0.05926
 48 O    -0.00000    0.02237    1.17224
 49 Pt    0.00000   -0.02272   -0.37722
 50 Pt   -0.00000    0.02108   -0.43576
 51 O    -1.69105   -0.01393   -0.71805
 52 O     1.69105   -0.01393   -0.71805
 53 O     0.00000   -0.01031   -1.40556
 54 O     0.00000   -0.00203    1.77630
 55 Pt    0.00000   -0.01227    0.51705
 56 Pt   -0.00000    0.11957    0.65599
 57 O    -1.61432    0.01382    0.09044
 58 O     1.61432    0.01382    0.09044
 59 O     0.00000   -0.02116   -0.51740
 60 O     0.00000   -0.22134   -0.12031
 61 Pt   -0.00000    0.01854   -0.09970
 62 Pt   -0.00000    0.01669   -0.00652
 63 O    -0.01565   -0.00779    0.00240
 64 O     0.01565   -0.00779    0.00240
 65 O     0.00000    0.00096    0.00119
 66 O     0.00000   -0.01666   -0.00581
 67 Pt   -0.00000    0.01160    0.02541
 68 Pt   -0.00000    0.14859    0.02782
 69 O    -0.00839    0.00080   -0.03026
 70 O     0.00839    0.00080   -0.03026
 71 O    -0.00000    0.00867   -0.05492
 72 N    -0.00000    0.29314    0.17515
 73 N     0.00000   -0.34575    0.12189

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          O          Pt            
            Pt   O     O           
                   Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  PtO       O             
            O   O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.061521   24.373419    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.976631   24.207958    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:20:55  -2.85   +inf  -414.268384    4      1      
iter:   2  04:23:08  -3.21  -2.79  -415.161305    4      1      
iter:   3  04:25:23  -3.52  -2.11  -414.231525    3      1      
iter:   4  04:27:36  -4.08  -2.87  -414.211959    3      1      
iter:   5  04:29:49  -4.85  -3.57  -414.207768    3      1      
iter:   6  04:32:02  -4.75  -3.67  -414.204598    3      1      
iter:   7  04:34:16  -5.20  -3.82  -414.205294    3      1      
iter:   8  04:36:30  -4.90  -3.88  -414.205257    3      1      
iter:   9  04:38:43  -5.32  -4.14  -414.205070    3      1      
iter:  10  04:40:57  -5.22  -3.97  -414.206111    3      1      
iter:  11  04:43:11  -5.99  -4.05  -414.204461    3      1      
iter:  12  04:45:24  -6.02  -3.98  -414.205221    2      1      
iter:  13  04:47:38  -6.29  -4.36  -414.205126    2      1      
iter:  14  04:49:51  -6.53  -4.54  -414.205012    2      1      
iter:  15  04:52:05  -6.88  -4.59  -414.204964    2      1      
iter:  16  04:54:21  -6.88  -4.75  -414.204872    2      1      
iter:  17  04:56:29  -6.96  -4.69  -414.205311    2      1      
iter:  18  04:58:22  -7.11  -4.68  -414.204901    2      1      
iter:  19  05:00:30  -7.18  -4.62  -414.205031    2      1      
iter:  20  05:02:51  -7.16  -5.14  -414.205059    2      1      
iter:  21  05:05:07  -7.60  -5.08  -414.205045    2      1      

Converged after 21 iterations.

Dipole moment: (-55.963186, -32.516023, 0.002750) |e|*Ang

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

Kinetic:        +19.806927
Potential:     -138.406790
External:        +0.000000
XC:            -305.312305
Entropy (-ST):   -1.566166
Local:          +10.490205
--------------------------
Free energy:   -414.988128
Extrapolated:  -414.205045

Fermi level: -6.53199

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59830    0.14666
  0   340     -6.58599    0.14040
  0   341     -6.58524    0.14001
  0   342     -6.55740    0.12515

  1   339     -6.50613    0.19365
  1   340     -6.45800    0.14356
  1   341     -6.42433    0.11295
  1   342     -6.42009    0.10942



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17451
  1 Pt    0.00000   -0.00293   -0.37542
  2 Pt    0.00000   -0.01905   -0.43373
  3 O    -1.68335    0.00027   -0.71846
  4 O     1.68335    0.00027   -0.71846
  5 O     0.00000   -0.01144   -1.38628
  6 O     0.00000   -0.00274    1.76642
  7 Pt   -0.00000    0.01382    0.45134
  8 Pt    0.00000   -0.04058    0.75295
  9 O    -1.58093    0.00057    0.05118
 10 O     1.58093    0.00057    0.05118
 11 O     0.00000   -0.00891   -0.56705
 12 O    -0.00000    0.00944    0.13916
 13 Pt   -0.00000    0.30742   -0.03826
 14 Pt    0.00000   -0.01990    0.00850
 15 O    -0.00081    0.01067    0.00324
 16 O     0.00081    0.01067    0.00324
 17 O    -0.00000    0.01062   -1.15034
 18 O    -0.00000    0.00257    0.02739
 19 Pt    0.00000   -0.01790    0.14450
 20 Pt    0.00000   -0.02783    0.21691
 21 O    -0.21918    0.40480    0.23951
 22 O     0.21918    0.40480    0.23951
 23 O     0.00000   -0.01650   -0.08966
 24 O     0.00000   -0.00091    1.15037
 25 Pt   -0.00000    0.01752   -0.37839
 26 Pt    0.00000   -0.00012   -0.43465
 27 O    -1.69190    0.01335   -0.71777
 28 O     1.69190    0.01335   -0.71777
 29 O    -0.00000    0.04472   -1.38934
 30 O     0.00000   -0.00447    1.83256
 31 Pt   -0.00000    0.01936    0.51116
 32 Pt    0.00000   -0.13815    0.58184
 33 O    -1.61385   -0.01906    0.07027
 34 O     1.61385   -0.01906    0.07027
 35 O     0.00000   -0.03247   -0.52624
 36 O    -0.00000    0.22897   -0.12363
 37 Pt    0.00000   -0.34295   -0.04472
 38 Pt    0.00000   -0.00371   -0.01098
 39 O     0.01026    0.01153    0.01533
 40 O    -0.01026    0.01153    0.01533
 41 O     0.00000   -0.00381    0.01929
 42 O    -0.00000    0.03691   -0.01916
 43 Pt    0.00000   -0.01900    0.10604
 44 Pt    0.00000   -0.05832   -0.04228
 45 O    -0.20842   -0.42134    0.20802
 46 O     0.20842   -0.42134    0.20802
 47 O     0.00000   -0.02422   -0.05945
 48 O    -0.00000    0.02236    1.17236
 49 Pt    0.00000   -0.02274   -0.37768
 50 Pt   -0.00000    0.02108   -0.43612
 51 O    -1.69126   -0.01393   -0.71789
 52 O     1.69126   -0.01393   -0.71789
 53 O     0.00000   -0.01031   -1.40567
 54 O     0.00000   -0.00204    1.77513
 55 Pt    0.00000   -0.01226    0.51687
 56 Pt   -0.00000    0.11956    0.65626
 57 O    -1.61409    0.01383    0.09062
 58 O     1.61409    0.01383    0.09062
 59 O     0.00000   -0.02118   -0.51736
 60 O     0.00000   -0.22120   -0.12021
 61 Pt   -0.00000    0.01817   -0.09932
 62 Pt   -0.00000    0.01671   -0.00642
 63 O    -0.01539   -0.00783    0.00277
 64 O     0.01539   -0.00783    0.00277
 65 O    -0.00000    0.00102    0.00208
 66 O     0.00000   -0.01657   -0.00575
 67 Pt   -0.00000    0.01178    0.02439
 68 Pt   -0.00000    0.14828    0.02531
 69 O    -0.00870    0.00053   -0.03258
 70 O     0.00870    0.00053   -0.03258
 71 O    -0.00000    0.00883   -0.05583
 72 N    -0.00000    1.06782    0.26061
 73 N     0.00000   -1.08583    0.05333

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
                     Pt            
          O Pt   O     O           
                   Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  PtO       O             
            O   O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.067869   24.392307    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.987772   24.224352    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:09:58  -2.83   +inf  -414.248751    4      1      
iter:   2  05:12:13  -3.29  -2.85  -414.981939    3      1      
iter:   3  05:14:27  -3.65  -2.15  -414.213551    3      1      
iter:   4  05:16:41  -4.29  -3.03  -414.208044    3      1      
iter:   5  05:18:56  -4.96  -3.66  -414.204450    3      1      
iter:   6  05:21:10  -4.73  -3.73  -414.201669    3      1      
iter:   7  05:23:25  -5.36  -3.83  -414.202779    2      1      
iter:   8  05:25:39  -4.93  -3.96  -414.202832    3      1      
iter:   9  05:27:54  -5.26  -4.16  -414.202832    3      1      
iter:  10  05:30:07  -5.51  -3.86  -414.204158    2      1      
iter:  11  05:32:21  -5.92  -3.84  -414.202152    3      1      
iter:  12  05:34:35  -6.09  -4.04  -414.203011    2      1      
iter:  13  05:36:48  -6.13  -4.36  -414.202811    2      1      
iter:  14  05:39:02  -6.49  -4.58  -414.202727    2      1      
iter:  15  05:41:16  -6.86  -4.66  -414.202650    2      1      
iter:  16  05:43:30  -6.85  -4.59  -414.202532    2      1      
iter:  17  05:45:44  -6.93  -4.55  -414.203050    2      1      
iter:  18  05:47:59  -6.85  -4.56  -414.202497    2      1      
iter:  19  05:50:14  -7.04  -4.72  -414.202708    2      1      
iter:  20  05:52:12  -7.14  -5.16  -414.202712    2      1      
iter:  21  05:54:05  -7.63  -5.27  -414.202718    2      1      

Converged after 21 iterations.

Dipole moment: (-55.963222, -32.515831, 0.001921) |e|*Ang

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

Kinetic:        +20.515643
Potential:     -138.979358
External:        +0.000000
XC:            -305.448082
Entropy (-ST):   -1.566176
Local:          +10.492167
--------------------------
Free energy:   -414.985806
Extrapolated:  -414.202718

Fermi level: -6.53274

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59905    0.14665
  0   340     -6.58673    0.14040
  0   341     -6.58598    0.14001
  0   342     -6.55830    0.12523

  1   339     -6.50686    0.19362
  1   340     -6.45873    0.14355
  1   341     -6.42516    0.11302
  1   342     -6.42100    0.10955



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17446
  1 Pt    0.00000   -0.00292   -0.37554
  2 Pt    0.00000   -0.01905   -0.43386
  3 O    -1.68335    0.00026   -0.71852
  4 O     1.68335    0.00026   -0.71852
  5 O     0.00000   -0.01141   -1.38631
  6 O     0.00000   -0.00274    1.76630
  7 Pt   -0.00000    0.01383    0.45128
  8 Pt    0.00000   -0.04066    0.75302
  9 O    -1.58092    0.00057    0.05114
 10 O     1.58092    0.00057    0.05114
 11 O     0.00000   -0.00890   -0.56711
 12 O    -0.00000    0.00935    0.13884
 13 Pt   -0.00000    0.30787   -0.03827
 14 Pt    0.00000   -0.01993    0.00835
 15 O    -0.00082    0.01069    0.00317
 16 O     0.00082    0.01069    0.00317
 17 O    -0.00000    0.01060   -1.15194
 18 O    -0.00000    0.00247    0.02737
 19 Pt    0.00000   -0.01791    0.14512
 20 Pt    0.00000   -0.02870    0.21849
 21 O    -0.21928    0.40512    0.24016
 22 O     0.21928    0.40512    0.24016
 23 O     0.00000   -0.01638   -0.08954
 24 O     0.00000   -0.00090    1.15033
 25 Pt   -0.00000    0.01753   -0.37848
 26 Pt    0.00000   -0.00012   -0.43478
 27 O    -1.69189    0.01335   -0.71783
 28 O     1.69189    0.01335   -0.71783
 29 O    -0.00000    0.04467   -1.38939
 30 O     0.00000   -0.00447    1.83243
 31 Pt   -0.00000    0.01935    0.51111
 32 Pt    0.00000   -0.13802    0.58196
 33 O    -1.61383   -0.01906    0.07024
 34 O     1.61383   -0.01906    0.07024
 35 O     0.00000   -0.03248   -0.52630
 36 O    -0.00000    0.22921   -0.12403
 37 Pt    0.00000   -0.34323   -0.04488
 38 Pt    0.00000   -0.00367   -0.01108
 39 O     0.01029    0.01152    0.01526
 40 O    -0.01029    0.01152    0.01526
 41 O     0.00000   -0.00340    0.01802
 42 O    -0.00000    0.03701   -0.01915
 43 Pt    0.00000   -0.01900    0.10797
 44 Pt    0.00000   -0.05866   -0.04087
 45 O    -0.20968   -0.42160    0.21233
 46 O     0.20968   -0.42160    0.21233
 47 O     0.00000   -0.02440   -0.05910
 48 O    -0.00000    0.02236    1.17232
 49 Pt    0.00000   -0.02275   -0.37780
 50 Pt   -0.00000    0.02108   -0.43629
 51 O    -1.69126   -0.01393   -0.71795
 52 O     1.69126   -0.01393   -0.71795
 53 O     0.00000   -0.01031   -1.40566
 54 O     0.00000   -0.00204    1.77502
 55 Pt    0.00000   -0.01226    0.51680
 56 Pt   -0.00000    0.11953    0.65633
 57 O    -1.61410    0.01382    0.09057
 58 O     1.61410    0.01382    0.09057
 59 O     0.00000   -0.02118   -0.51741
 60 O     0.00000   -0.22129   -0.12054
 61 Pt   -0.00000    0.01783   -0.09945
 62 Pt   -0.00000    0.01670   -0.00648
 63 O    -0.01539   -0.00785    0.00270
 64 O     0.01539   -0.00785    0.00270
 65 O    -0.00000    0.00101    0.00194
 66 O     0.00000   -0.01661   -0.00582
 67 Pt   -0.00000    0.01189    0.02484
 68 Pt   -0.00000    0.14839    0.02589
 69 O    -0.00869    0.00024   -0.03190
 70 O     0.00869    0.00024   -0.03190
 71 O    -0.00000    0.00882   -0.05574
 72 N    -0.00000    1.65513    0.32012
 73 N     0.00000   -1.74450   -0.12814

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N                 
                     Pt            
          O Pt   O     O           
                   Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.082983   24.402354    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.004446   24.238031    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:59:49  -2.83   +inf  -414.218896    3      1      
iter:   2  06:02:03  -3.54  -3.09  -414.449001    3      1      
iter:   3  06:04:18  -3.97  -2.39  -414.203535    3      1      
iter:   4  06:06:32  -4.55  -3.27  -414.204070    3      1      
iter:   5  06:08:47  -4.71  -3.82  -414.200517    3      1      
iter:   6  06:11:02  -4.63  -3.66  -414.200452    3      1      
