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

User:   hao@node504.cluster
Date:   Mon Dec 13 22:37:31 2021
Arch:   x86_64
Pid:    23811
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: 143.91 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                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.312793   23.593849    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.231074   23.844736    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:40:50  +0.87   +inf  -535.973995    4      1      
iter:   2  22:43:15  -0.13  -1.04  -494.253415    34     1      
iter:   3  22:45:41  +0.10  -1.11  -655.932892    4      1      
iter:   4  22:48:07  -0.22  -0.98  -423.384046    36     1      
iter:   5  22:50:32  -0.57  -1.42  -423.726066    36     1      
iter:   6  22:52:59  -1.50  -1.42  -421.111165    4      1      
iter:   7  22:55:25  -1.90  -1.44  -418.968609    4      1      
iter:   8  22:57:50  -1.88  -1.49  -417.362245    3      1      
iter:   9  23:00:17  -1.62  -1.53  -420.290783    36     1      
iter:  10  23:02:43  -1.72  -1.58  -419.448017    4      1      
iter:  11  23:05:09  -1.66  -1.58  -417.754145    3      1      
iter:  12  23:07:36  -1.89  -1.73  -415.985793    4      1      
iter:  13  23:10:02  -2.11  -1.90  -415.113181    3      1      
iter:  14  23:12:28  -2.29  -2.01  -414.724876    4      1      
iter:  15  23:14:54  -2.21  -2.09  -414.676479    3      1      
iter:  16  23:17:20  -2.84  -2.13  -414.117759    3      1      
iter:  17  23:19:46  -3.07  -2.37  -413.988022    3      1      
iter:  18  23:22:12  -3.35  -2.51  -413.963256    3      1      
iter:  19  23:24:38  -3.38  -2.59  -413.945747    2      1      
iter:  20  23:27:04  -3.55  -2.70  -413.943787    3      1      
iter:  21  23:29:30  -3.94  -2.69  -413.944971    3      1      
iter:  22  23:31:56  -4.06  -2.73  -413.947996    3      1      
iter:  23  23:34:22  -3.78  -2.76  -413.957039    3      1      
iter:  24  23:36:48  -4.12  -2.82  -413.929564    3      1      
iter:  25  23:39:13  -4.65  -3.29  -413.928097    2      1      
iter:  26  23:41:39  -4.65  -3.33  -413.926585    2      1      
iter:  27  23:44:05  -4.90  -3.50  -413.924761    3      1      
iter:  28  23:46:30  -5.42  -3.54  -413.925830    3      1      
iter:  29  23:48:56  -5.37  -3.59  -413.925234    2      1      
iter:  30  23:51:22  -5.42  -3.63  -413.927443    2      1      
iter:  31  23:53:47  -5.48  -3.42  -413.925730    2      1      
iter:  32  23:56:13  -5.97  -3.80  -413.925956    2      1      
iter:  33  23:58:40  -5.87  -3.90  -413.926305    2      1      
iter:  34  00:01:07  -5.96  -3.98  -413.925433    2      1      
iter:  35  00:03:32  -6.17  -3.99  -413.926249    2      1      
iter:  36  00:05:58  -6.22  -4.13  -413.925864    2      1      
iter:  37  00:08:24  -6.30  -4.27  -413.925949    2      1      
iter:  38  00:10:50  -6.92  -4.28  -413.925876    2      1      
iter:  39  00:13:16  -7.36  -4.46  -413.925873    2      1      
iter:  40  00:15:43  -7.39  -4.53  -413.925937    2      1      
iter:  41  00:18:08  -7.36  -4.60  -413.925838    2      1      
iter:  42  00:20:34  -7.65  -4.63  -413.925903    2      1      

Converged after 42 iterations.

Dipole moment: (-55.961615, -32.503698, 0.062779) |e|*Ang

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

Kinetic:        +19.571751
Potential:     -137.638326
External:        +0.000000
XC:            -305.607949
Entropy (-ST):   -1.562829
Local:          +10.530035
--------------------------
Free energy:   -414.707317
Extrapolated:  -413.925903

Fermi level: -6.48168

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53856    0.14189
  0   340     -6.53531    0.14021
  0   341     -6.53156    0.13826
  0   342     -6.49704    0.11963

  1   339     -6.45705    0.19499
  1   340     -6.40843    0.14429
  1   341     -6.37707    0.11554
  1   342     -6.36056    0.10199



Forces in eV/Ang:
  0 O     0.00000   -0.01707    1.17419
  1 Pt    0.00000   -0.00354   -0.37295
  2 Pt    0.00000   -0.01890   -0.43489
  3 O    -1.68317    0.00032   -0.71900
  4 O     1.68317    0.00032   -0.71900
  5 O     0.00000   -0.01532   -1.38268
  6 O     0.00000   -0.00238    1.76608
  7 Pt   -0.00000    0.01345    0.45039
  8 Pt    0.00000   -0.02862    0.73964
  9 O    -1.58044    0.00057    0.05361
 10 O     1.58044    0.00057    0.05361
 11 O     0.00000   -0.00890   -0.56407
 12 O    -0.00000    0.04432    0.16203
 13 Pt   -0.00000    0.31517   -0.01907
 14 Pt    0.00000   -0.01850    0.01195
 15 O     0.00083    0.00890    0.00351
 16 O    -0.00083    0.00890    0.00351
 17 O    -0.00000    0.00956   -1.18504
 18 O    -0.00000    0.01301    0.03104
 19 Pt    0.00000   -0.01667    0.14277
 20 Pt    0.00000   -0.00339    0.24874
 21 O    -0.21825    0.39676    0.23579
 22 O     0.21825    0.39676    0.23579
 23 O     0.00000   -0.02046   -0.08062
 24 O     0.00000   -0.00148    1.14987
 25 Pt   -0.00000    0.01893   -0.37681
 26 Pt    0.00000   -0.00019   -0.43667
 27 O    -1.69205    0.01324   -0.71795
 28 O     1.69205    0.01324   -0.71795
 29 O    -0.00000    0.04597   -1.38906
 30 O     0.00000   -0.00487    1.83348
 31 Pt   -0.00000    0.01993    0.50978
 32 Pt    0.00000   -0.14168    0.58295
 33 O    -1.61476   -0.01925    0.07061
 34 O     1.61476   -0.01925    0.07061
 35 O     0.00000   -0.03238   -0.52402
 36 O    -0.00000    0.22863   -0.12860
 37 Pt    0.00000   -0.41948   -0.03080
 38 Pt    0.00000   -0.00580   -0.00923
 39 O     0.01004    0.01243    0.01500
 40 O    -0.01004    0.01243    0.01500
 41 O    -0.00000    0.01269    0.31381
 42 O    -0.00000    0.03487   -0.02150
 43 Pt    0.00000   -0.03316   -0.00223
 44 Pt    0.00000   -0.09860   -0.17593
 45 O    -0.07831   -0.54070   -0.06925
 46 O     0.07831   -0.54070   -0.06925
 47 O     0.00000   -0.02457   -0.05040
 48 O    -0.00000    0.02256    1.17204
 49 Pt    0.00000   -0.02360   -0.37522
 50 Pt   -0.00000    0.02100   -0.43627
 51 O    -1.69122   -0.01387   -0.71831
 52 O     1.69122   -0.01387   -0.71831
 53 O     0.00000   -0.00755   -1.40456
 54 O     0.00000   -0.00201    1.77382
 55 Pt    0.00000   -0.01235    0.51668
 56 Pt   -0.00000    0.11054    0.64688
 57 O    -1.61380    0.01404    0.09122
 58 O     1.61380    0.01404    0.09122
 59 O     0.00000   -0.02141   -0.51521
 60 O     0.00000   -0.25736   -0.10777
 61 Pt   -0.00000    0.09376   -0.10012
 62 Pt   -0.00000    0.01681   -0.00576
 63 O    -0.01413   -0.00676    0.00341
 64 O     0.01413   -0.00676    0.00341
 65 O     0.00000    0.00316    0.00305
 66 O     0.00000   -0.02138   -0.00110
 67 Pt   -0.00000    0.02657   -0.03865
 68 Pt   -0.00000    0.16085    0.01453
 69 O     0.03985    0.08346   -0.07852
 70 O    -0.03985    0.08346   -0.07852
 71 O    -0.00000    0.01100   -0.04618
 72 N     0.00000   -0.32407    0.39463
 73 N    -0.00000    0.33650    0.45422

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.304265   23.596763    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.231463   23.845062    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:31:28  -3.41   +inf  -414.108207    4      1      
iter:   2  00:33:53  -2.77  -2.53  -417.551695    4      1      
iter:   3  00:36:19  -3.09  -1.86  -413.954486    4      1      
iter:   4  00:38:44  -3.67  -2.80  -413.943971    3      1      
iter:   5  00:41:10  -4.45  -3.17  -413.932395    3      1      
iter:   6  00:43:35  -4.50  -3.37  -413.926238    3      1      
iter:   7  00:46:01  -4.80  -3.74  -413.926538    3      1      
iter:   8  00:48:26  -4.60  -3.54  -413.930122    3      1      
iter:   9  00:50:52  -4.78  -3.35  -413.924471    3      1      
iter:  10  00:53:18  -5.20  -4.06  -413.924800    3      1      
iter:  11  00:55:45  -5.73  -4.07  -413.924569    2      1      
iter:  12  00:58:10  -5.94  -4.21  -413.924795    2      1      
iter:  13  01:00:36  -5.85  -4.25  -413.924367    2      1      
iter:  14  01:03:01  -6.08  -4.40  -413.924785    2      1      
iter:  15  01:05:26  -6.34  -4.21  -413.924261    2      1      
iter:  16  01:07:51  -6.48  -4.18  -413.924366    2      1      
iter:  17  01:10:17  -6.68  -4.74  -413.924449    2      1      
iter:  18  01:12:43  -7.20  -4.76  -413.924399    2      1      
iter:  19  01:15:09  -7.66  -4.95  -413.924431    2      1      

Converged after 19 iterations.

Dipole moment: (-55.961876, -32.503822, 0.065634) |e|*Ang

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

Kinetic:        +20.942970
Potential:     -138.655129
External:        +0.000000
XC:            -305.942718
Entropy (-ST):   -1.562707
Local:          +10.511799
--------------------------
Free energy:   -414.705785
Extrapolated:  -413.924431

Fermi level: -6.47914

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53591    0.14183
  0   340     -6.53280    0.14023
  0   341     -6.52863    0.13806
  0   342     -6.49346    0.11906

  1   339     -6.45453    0.19502
  1   340     -6.40590    0.14430
  1   341     -6.37432    0.11536
  1   342     -6.35808    0.10204



Forces in eV/Ang:
  0 O     0.00000   -0.01709    1.17361
  1 Pt    0.00000   -0.00351   -0.37372
  2 Pt    0.00000   -0.01888   -0.43363
  3 O    -1.68299    0.00031   -0.71910
  4 O     1.68299    0.00031   -0.71910
  5 O     0.00000   -0.01524   -1.38278
  6 O     0.00000   -0.00234    1.76768
  7 Pt   -0.00000    0.01352    0.45031
  8 Pt    0.00000   -0.02881    0.73956
  9 O    -1.58068    0.00056    0.05315
 10 O     1.58068    0.00056    0.05315
 11 O     0.00000   -0.00890   -0.56423
 12 O    -0.00000    0.04379    0.16090
 13 Pt   -0.00000    0.31499   -0.02028
 14 Pt    0.00000   -0.01882    0.01073
 15 O     0.00042    0.00903    0.00284
 16 O    -0.00042    0.00903    0.00284
 17 O    -0.00000    0.00996   -1.18463
 18 O    -0.00000    0.01215    0.03085
 19 Pt    0.00000   -0.01676    0.14643
 20 Pt    0.00000   -0.01159    0.24457
 21 O    -0.21782    0.39720    0.24012
 22 O     0.21782    0.39720    0.24012
 23 O     0.00000   -0.01951   -0.07923
 24 O     0.00000   -0.00146    1.14930
 25 Pt   -0.00000    0.01890   -0.37755
 26 Pt    0.00000   -0.00020   -0.43539
 27 O    -1.69186    0.01324   -0.71806
 28 O     1.69186    0.01324   -0.71806
 29 O    -0.00000    0.04590   -1.38903
 30 O     0.00000   -0.00484    1.83512
 31 Pt   -0.00000    0.01992    0.50969
 32 Pt    0.00000   -0.14146    0.58271
 33 O    -1.61495   -0.01928    0.07018
 34 O     1.61495   -0.01928    0.07018
 35 O     0.00000   -0.03239   -0.52434
 36 O    -0.00000    0.22881   -0.12864
 37 Pt    0.00000   -0.42040   -0.03286
 38 Pt    0.00000   -0.00565   -0.01067
 39 O     0.00986    0.01233    0.01407
 40 O    -0.00986    0.01233    0.01407
 41 O    -0.00000    0.01310    0.31264
 42 O    -0.00000    0.03540   -0.02142
 43 Pt    0.00000   -0.03322    0.00121
 44 Pt    0.00000   -0.08877   -0.19757
 45 O    -0.07835   -0.53932   -0.06251
 46 O     0.07835   -0.53932   -0.06251
 47 O     0.00000   -0.02494   -0.04967
 48 O    -0.00000    0.02256    1.17146
 49 Pt    0.00000   -0.02359   -0.37600
 50 Pt   -0.00000    0.02098   -0.43507
 51 O    -1.69104   -0.01387   -0.71840
 52 O     1.69104   -0.01387   -0.71840
 53 O     0.00000   -0.00758   -1.40458
 54 O     0.00000   -0.00207    1.77542
 55 Pt    0.00000   -0.01240    0.51651
 56 Pt   -0.00000    0.11056    0.64663
 57 O    -1.61405    0.01407    0.09076
 58 O     1.61405    0.01407    0.09076
 59 O     0.00000   -0.02139   -0.51535
 60 O     0.00000   -0.25701   -0.10846
 61 Pt   -0.00000    0.09442   -0.10206
 62 Pt   -0.00000    0.01696   -0.00671
 63 O    -0.01447   -0.00679    0.00268
 64 O     0.01447   -0.00679    0.00268
 65 O     0.00000    0.00341    0.00271
 66 O     0.00000   -0.02136   -0.00111
 67 Pt   -0.00000    0.02661   -0.03411
 68 Pt   -0.00000    0.16133    0.02069
 69 O     0.04017    0.08151   -0.07158
 70 O    -0.04017    0.08151   -0.07158
 71 O    -0.00000    0.01070   -0.04439
 72 N    -0.00000    0.90217    0.10157
 73 N     0.00000   -0.91235    0.73173

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.292276   23.602162    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.220171   23.848832    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:20:30  -3.25   +inf  -413.928174    3      1      
iter:   2  01:22:56  -4.20  -3.94  -413.927375    3      1      
iter:   3  01:25:21  -4.78  -3.75  -413.929820    2      1      
iter:   4  01:27:47  -5.05  -3.36  -413.929105    2      1      
iter:   5  01:30:12  -4.98  -3.88  -413.926296    3      1      
iter:   6  01:32:38  -5.31  -4.04  -413.927076    2      1      
iter:   7  01:35:04  -6.18  -4.57  -413.927102    2      1      
iter:   8  01:37:29  -6.20  -4.58  -413.927281    2      1      
iter:   9  01:39:54  -6.25  -4.57  -413.927387    2      1      
iter:  10  01:42:20  -6.56  -4.24  -413.927081    2      1      
iter:  11  01:44:45  -7.14  -4.67  -413.927246    2      1      
iter:  12  01:47:11  -7.52  -4.77  -413.927084    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961860, -32.503977, 0.066345) |e|*Ang

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

Kinetic:        +21.143790
Potential:     -138.830830
External:        +0.000000
XC:            -305.966442
Entropy (-ST):   -1.562894
Local:          +10.507845
--------------------------
Free energy:   -414.708531
Extrapolated:  -413.927084

Fermi level: -6.47845

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53528    0.14186
  0   340     -6.53205    0.14020
  0   341     -6.52824    0.13822
  0   342     -6.49303    0.11920

  1   339     -6.45391    0.19510
  1   340     -6.40513    0.14422
  1   341     -6.37366    0.11539
  1   342     -6.35742    0.10207



Forces in eV/Ang:
  0 O     0.00000   -0.01705    1.17392
  1 Pt    0.00000   -0.00350   -0.37279
  2 Pt    0.00000   -0.01886   -0.43285
  3 O    -1.68277    0.00031   -0.71887
  4 O     1.68277    0.00031   -0.71887
  5 O     0.00000   -0.01524   -1.38281
  6 O     0.00000   -0.00254    1.76825
  7 Pt   -0.00000    0.01353    0.45096
  8 Pt    0.00000   -0.02916    0.74023
  9 O    -1.58093    0.00062    0.05345
 10 O     1.58093    0.00062    0.05345
 11 O     0.00000   -0.00898   -0.56437
 12 O    -0.00000    0.04349    0.16092
 13 Pt   -0.00000    0.31455   -0.02086
 14 Pt    0.00000   -0.01831    0.01056
 15 O     0.00044    0.00894    0.00303
 16 O    -0.00044    0.00894    0.00303
 17 O    -0.00000    0.01051   -1.18450
 18 O    -0.00000    0.01248    0.03143
 19 Pt    0.00000   -0.01730    0.14282
 20 Pt    0.00000   -0.01155    0.24196
 21 O    -0.21788    0.39695    0.23760
 22 O     0.21788    0.39695    0.23760
 23 O     0.00000   -0.02059   -0.08125
 24 O     0.00000   -0.00144    1.14960
 25 Pt   -0.00000    0.01881   -0.37677
 26 Pt    0.00000   -0.00019   -0.43477
 27 O    -1.69166    0.01327   -0.71787
 28 O     1.69166    0.01327   -0.71787
 29 O    -0.00000    0.04586   -1.38924
 30 O     0.00000   -0.00490    1.83552
 31 Pt   -0.00000    0.01985    0.51048
 32 Pt    0.00000   -0.14152    0.58326
 33 O    -1.61514   -0.01946    0.07057
 34 O     1.61514   -0.01946    0.07057
 35 O     0.00000   -0.03242   -0.52409
 36 O    -0.00000    0.22873   -0.12772
 37 Pt    0.00000   -0.41884   -0.03311
 38 Pt    0.00000   -0.00558   -0.01071
 39 O     0.00961    0.01253    0.01450
 40 O    -0.00961    0.01253    0.01450
 41 O    -0.00000    0.01338    0.30535
 42 O    -0.00000    0.03519   -0.02078
 43 Pt    0.00000   -0.03285   -0.00289
 44 Pt    0.00000   -0.09212   -0.19079
 45 O    -0.07902   -0.53747   -0.06351
 46 O     0.07902   -0.53747   -0.06351
 47 O     0.00000   -0.02375   -0.05159
 48 O    -0.00000    0.02250    1.17176
 49 Pt    0.00000   -0.02351   -0.37527
 50 Pt   -0.00000    0.02096   -0.43433
 51 O    -1.69085   -0.01389   -0.71823
 52 O     1.69085   -0.01389   -0.71823
 53 O     0.00000   -0.00757   -1.40468
 54 O     0.00000   -0.00181    1.77599
 55 Pt    0.00000   -0.01234    0.51736
 56 Pt   -0.00000    0.11103    0.64737
 57 O    -1.61419    0.01418    0.09116
 58 O     1.61419    0.01418    0.09116
 59 O     0.00000   -0.02127   -0.51540
 60 O     0.00000   -0.25656   -0.10809
 61 Pt   -0.00000    0.09279   -0.10215
 62 Pt   -0.00000    0.01641   -0.00701
 63 O    -0.01469   -0.00691    0.00295
 64 O     0.01469   -0.00691    0.00295
 65 O     0.00000    0.00305    0.00077
 66 O     0.00000   -0.02155   -0.00055
 67 Pt   -0.00000    0.02674   -0.03652
 68 Pt   -0.00000    0.16045    0.01640
 69 O     0.03823    0.07950   -0.07266
 70 O    -0.03823    0.07950   -0.07266
 71 O    -0.00000    0.01057   -0.04658
 72 N    -0.00000    1.03574    0.06989
 73 N     0.00000   -1.06080    0.73272

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.280677   23.607970    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.207918   23.853142    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:05:08  -3.23   +inf  -413.932769    3      1      
iter:   2  02:07:33  -4.15  -3.67  -413.936809    3      1      
iter:   3  02:09:58  -4.69  -3.16  -413.930125    2      1      
iter:   4  02:12:23  -5.13  -3.63  -413.932494    3      1      
iter:   5  02:14:49  -4.86  -3.87  -413.930325    3      1      
iter:   6  02:17:15  -5.39  -4.34  -413.930551    2      1      
iter:   7  02:19:41  -5.91  -4.56  -413.930634    2      1      
iter:   8  02:22:06  -6.27  -4.46  -413.930760    2      1      
iter:   9  02:24:32  -6.26  -4.45  -413.930747    1      1      
iter:  10  02:26:59  -6.56  -4.53  -413.930377    2      1      
iter:  11  02:29:24  -7.19  -4.75  -413.930616    2      1      
iter:  12  02:31:49  -7.73  -5.06  -413.930544    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961912, -32.503636, 0.063988) |e|*Ang

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

Kinetic:        +21.012668
Potential:     -138.729948
External:        +0.000000
XC:            -305.939234
Entropy (-ST):   -1.562911
Local:          +10.507426
--------------------------
Free energy:   -414.711999
Extrapolated:  -413.930544

Fermi level: -6.48059

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53747    0.14189
  0   340     -6.53417    0.14018
  0   341     -6.53060    0.13833
  0   342     -6.49532    0.11928

  1   339     -6.45600    0.19503
  1   340     -6.40726    0.14421
  1   341     -6.37579    0.11538
  1   342     -6.35952    0.10203



Forces in eV/Ang:
  0 O     0.00000   -0.01707    1.17390
  1 Pt    0.00000   -0.00349   -0.37302
  2 Pt    0.00000   -0.01884   -0.43305
  3 O    -1.68312    0.00030   -0.71871
  4 O     1.68312    0.00030   -0.71871
  5 O     0.00000   -0.01516   -1.38273
  6 O     0.00000   -0.00248    1.76703
  7 Pt   -0.00000    0.01355    0.45059
  8 Pt    0.00000   -0.02926    0.73992
  9 O    -1.58092    0.00064    0.05329
 10 O     1.58092    0.00064    0.05329
 11 O     0.00000   -0.00894   -0.56447
 12 O    -0.00000    0.04293    0.16025
 13 Pt   -0.00000    0.31456   -0.02135
 14 Pt    0.00000   -0.01848    0.01044
 15 O     0.00033    0.00899    0.00304
 16 O    -0.00033    0.00899    0.00304
 17 O    -0.00000    0.01052   -1.18390
 18 O    -0.00000    0.01228    0.03095
 19 Pt    0.00000   -0.01739    0.14254
 20 Pt    0.00000   -0.00979    0.24617
 21 O    -0.21773    0.39684    0.23639
 22 O     0.21773    0.39684    0.23639
 23 O     0.00000   -0.02007   -0.08029
 24 O     0.00000   -0.00142    1.14962
 25 Pt   -0.00000    0.01877   -0.37690
 26 Pt    0.00000   -0.00019   -0.43492
 27 O    -1.69200    0.01328   -0.71767
 28 O     1.69200    0.01328   -0.71767
 29 O    -0.00000    0.04582   -1.38902
 30 O     0.00000   -0.00495    1.83424
 31 Pt   -0.00000    0.01989    0.51007
 32 Pt    0.00000   -0.14155    0.58249
 33 O    -1.61517   -0.01941    0.07044
 34 O     1.61517   -0.01941    0.07044
 35 O     0.00000   -0.03244   -0.52409
 36 O    -0.00000    0.22907   -0.12824
 37 Pt    0.00000   -0.41748   -0.03332
 38 Pt    0.00000   -0.00557   -0.01117
 39 O     0.00956    0.01248    0.01455
 40 O    -0.00956    0.01248    0.01455
 41 O    -0.00000    0.01381    0.30293
 42 O    -0.00000    0.03502   -0.02097
 43 Pt    0.00000   -0.03219    0.00105
 44 Pt    0.00000   -0.09871   -0.17308
 45 O    -0.08136   -0.53442   -0.06002
 46 O     0.08136   -0.53442   -0.06002
 47 O     0.00000   -0.02412   -0.05019
 48 O    -0.00000    0.02249    1.17174
 49 Pt    0.00000   -0.02347   -0.37545
 50 Pt   -0.00000    0.02094   -0.43456
 51 O    -1.69120   -0.01390   -0.71805
 52 O     1.69120   -0.01390   -0.71805
 53 O     0.00000   -0.00761   -1.40461
 54 O     0.00000   -0.00182    1.77473
 55 Pt    0.00000   -0.01241    0.51697
 56 Pt   -0.00000    0.11120    0.64717
 57 O    -1.61423    0.01408    0.09103
 58 O     1.61423    0.01408    0.09103
 59 O     0.00000   -0.02127   -0.51533
 60 O     0.00000   -0.25624   -0.10868
 61 Pt   -0.00000    0.09101   -0.10227
 62 Pt   -0.00000    0.01659   -0.00731
 63 O    -0.01475   -0.00690    0.00291
 64 O     0.01475   -0.00690    0.00291
 65 O     0.00000    0.00323    0.00056
 66 O     0.00000   -0.02123   -0.00087
 67 Pt   -0.00000    0.02625   -0.03403
 68 Pt   -0.00000    0.15987    0.01643
 69 O     0.03648    0.07732   -0.07231
 70 O    -0.03648    0.07732   -0.07231
 71 O    -0.00000    0.01036   -0.04645
 72 N    -0.00000    0.99552    0.10525
 73 N     0.00000   -0.91445    0.65373

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.269462   23.614211    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.195687   23.857174    ( 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  02:47:16  -3.24   +inf  -413.934536    3      1      
iter:   2  02:49:42  -4.17  -3.81  -413.937668    3      1      
iter:   3  02:52:07  -4.74  -3.34  -413.935975    2      1      
iter:   4  02:54:32  -4.95  -3.63  -413.933170    3      1      
iter:   5  02:56:58  -4.92  -3.84  -413.935328    3      1      
iter:   6  02:59:23  -5.41  -4.14  -413.934410    2      1      
iter:   7  03:01:49  -6.16  -4.63  -413.934468    2      1      
iter:   8  03:04:15  -6.14  -4.45  -413.934321    2      1      
iter:   9  03:06:40  -6.35  -4.26  -413.934315    2      1      
iter:  10  03:09:07  -6.71  -4.36  -413.934372    2      1      
iter:  11  03:11:34  -7.25  -4.72  -413.934336    2      1      
iter:  12  03:14:00  -7.45  -5.01  -413.934498    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961943, -32.503643, 0.061903) |e|*Ang

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

Kinetic:        +20.871470
Potential:     -138.624232
External:        +0.000000
XC:            -305.907320
Entropy (-ST):   -1.562685
Local:          +10.506926
--------------------------
Free energy:   -414.715840
Extrapolated:  -413.934498

Fermi level: -6.48240

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53946    0.14197
  0   340     -6.53615    0.14027
  0   341     -6.53256    0.13841
  0   342     -6.49719    0.11931

  1   339     -6.45769    0.19491
  1   340     -6.40922    0.14436
  1   341     -6.37758    0.11536
  1   342     -6.36114    0.10188



Forces in eV/Ang:
  0 O     0.00000   -0.01710    1.17373
  1 Pt    0.00000   -0.00352   -0.37379
  2 Pt    0.00000   -0.01889   -0.43390
  3 O    -1.68302    0.00025   -0.71894
  4 O     1.68302    0.00025   -0.71894
  5 O     0.00000   -0.01506   -1.38306
  6 O     0.00000   -0.00237    1.76770
  7 Pt   -0.00000    0.01362    0.45072
  8 Pt    0.00000   -0.02940    0.73998
  9 O    -1.58050    0.00071    0.05310
 10 O     1.58050    0.00071    0.05310
 11 O     0.00000   -0.00891   -0.56400
 12 O    -0.00000    0.04172    0.15962
 13 Pt   -0.00000    0.31417   -0.02060
 14 Pt    0.00000   -0.01863    0.01148
 15 O     0.00018    0.00906    0.00325
 16 O    -0.00018    0.00906    0.00325
 17 O    -0.00000    0.01082   -1.17909
 18 O    -0.00000    0.01207    0.03027
 19 Pt    0.00000   -0.01750    0.14429
 20 Pt    0.00000   -0.01017    0.24697
 21 O    -0.21838    0.39714    0.23626
 22 O     0.21838    0.39714    0.23626
 23 O     0.00000   -0.01993   -0.08020
 24 O     0.00000   -0.00139    1.14951
 25 Pt   -0.00000    0.01871   -0.37759
 26 Pt    0.00000   -0.00010   -0.43576
 27 O    -1.69187    0.01330   -0.71789
 28 O     1.69187    0.01330   -0.71789
 29 O    -0.00000    0.04584   -1.38905
 30 O     0.00000   -0.00491    1.83462
 31 Pt   -0.00000    0.01987    0.51013
 32 Pt    0.00000   -0.14162    0.58181
 33 O    -1.61477   -0.01939    0.07028
 34 O     1.61477   -0.01939    0.07028
 35 O     0.00000   -0.03241   -0.52388
 36 O    -0.00000    0.22887   -0.12768
 37 Pt    0.00000   -0.41557   -0.03220
 38 Pt    0.00000   -0.00566   -0.00991
 39 O     0.00951    0.01234    0.01482
 40 O    -0.00951    0.01234    0.01482
 41 O    -0.00000    0.01382    0.30008
 42 O    -0.00000    0.03491   -0.02137
 43 Pt    0.00000   -0.03144    0.00459
 44 Pt    0.00000   -0.10225   -0.16585
 45 O    -0.08399   -0.53129   -0.05746
 46 O     0.08399   -0.53129   -0.05746
 47 O     0.00000   -0.02429   -0.05000
 48 O    -0.00000    0.02249    1.17162
 49 Pt    0.00000   -0.02339   -0.37617
 50 Pt   -0.00000    0.02090   -0.43549
 51 O    -1.69113   -0.01386   -0.71826
 52 O     1.69113   -0.01386   -0.71826
 53 O     0.00000   -0.00774   -1.40492
 54 O     0.00000   -0.00195    1.77489
 55 Pt    0.00000   -0.01246    0.51682
 56 Pt   -0.00000    0.11142    0.64708
 57 O    -1.61381    0.01400    0.09083
 58 O     1.61381    0.01400    0.09083
 59 O     0.00000   -0.02134   -0.51500
 60 O     0.00000   -0.25477   -0.10884
 61 Pt   -0.00000    0.08914   -0.10066
 62 Pt   -0.00000    0.01683   -0.00601
 63 O    -0.01466   -0.00686    0.00317
 64 O     0.01466   -0.00686    0.00317
 65 O     0.00000    0.00309    0.00485
 66 O     0.00000   -0.02105   -0.00140
 67 Pt   -0.00000    0.02570   -0.03050
 68 Pt   -0.00000    0.15977    0.01810
 69 O     0.03458    0.07493   -0.07077
 70 O    -0.03458    0.07493   -0.07077
 71 O    -0.00000    0.01032   -0.04639
 72 N    -0.00000    0.89568    0.14858
 73 N     0.00000   -0.91618    0.65065

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.257714   23.621399    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.182980   23.861782    ( 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  03:29:24  -3.18   +inf  -413.952300    3      1      
iter:   2  03:31:50  -3.53  -2.95  -414.497687    3      1      
iter:   3  03:34:16  -3.83  -2.24  -413.948955    3      1      
iter:   4  03:36:41  -4.46  -3.39  -413.941306    3      1      
iter:   5  03:39:06  -4.78  -3.72  -413.940268    2      1      
iter:   6  03:41:32  -4.99  -3.83  -413.939841    3      1      
iter:   7  03:43:58  -5.79  -4.28  -413.940056    2      1      
iter:   8  03:46:23  -6.03  -4.47  -413.940187    2      1      
iter:   9  03:48:49  -6.07  -4.68  -413.940581    2      1      
iter:  10  03:51:14  -6.15  -4.42  -413.939840    2      1      
iter:  11  03:53:40  -6.63  -4.55  -413.940187    2      1      
iter:  12  03:56:05  -7.11  -4.68  -413.940160    2      1      
iter:  13  03:58:31  -7.27  -4.27  -413.940115    2      1      
iter:  14  04:00:56  -7.61  -5.11  -413.940142    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962020, -32.503557, 0.060561) |e|*Ang

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

Kinetic:        +20.765085
Potential:     -138.548432
External:        +0.000000
XC:            -305.879188
Entropy (-ST):   -1.563051
Local:          +10.503918
--------------------------
Free energy:   -414.721668
Extrapolated:  -413.940142

Fermi level: -6.48343

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54057    0.14202
  0   340     -6.53708    0.14022
  0   341     -6.53397    0.13860
  0   342     -6.49864    0.11954

  1   339     -6.45882    0.19501
  1   340     -6.41013    0.14423
  1   341     -6.37865    0.11540
  1   342     -6.36223    0.10193



Forces in eV/Ang:
  0 O     0.00000   -0.01709    1.17359
  1 Pt    0.00000   -0.00347   -0.37316
  2 Pt    0.00000   -0.01889   -0.43294
  3 O    -1.68330    0.00029   -0.71895
  4 O     1.68330    0.00029   -0.71895
  5 O     0.00000   -0.01500   -1.38291
  6 O     0.00000   -0.00239    1.76846
  7 Pt   -0.00000    0.01357    0.45119
  8 Pt    0.00000   -0.02967    0.74076
  9 O    -1.58071    0.00062    0.05345
 10 O     1.58071    0.00062    0.05345
 11 O     0.00000   -0.00889   -0.56445
 12 O    -0.00000    0.04079    0.15925
 13 Pt   -0.00000    0.31398   -0.02221
 14 Pt    0.00000   -0.01862    0.01062
 15 O     0.00023    0.00917    0.00329
 16 O    -0.00023    0.00917    0.00329
 17 O    -0.00000    0.01125   -1.18208
 18 O    -0.00000    0.01178    0.03000
 19 Pt    0.00000   -0.01745    0.14316
 20 Pt    0.00000   -0.01066    0.24504
 21 O    -0.21800    0.39670    0.23694
 22 O     0.21800    0.39670    0.23694
 23 O     0.00000   -0.01988   -0.08040
 24 O     0.00000   -0.00142    1.14933
 25 Pt   -0.00000    0.01862   -0.37700
 26 Pt    0.00000   -0.00015   -0.43469
 27 O    -1.69214    0.01326   -0.71792
 28 O     1.69214    0.01326   -0.71792
 29 O    -0.00000    0.04589   -1.38866
 30 O     0.00000   -0.00481    1.83569
 31 Pt   -0.00000    0.01990    0.51059
 32 Pt    0.00000   -0.14145    0.58209
 33 O    -1.61499   -0.01933    0.07070
 34 O     1.61499   -0.01933    0.07070
 35 O     0.00000   -0.03237   -0.52441
 36 O    -0.00000    0.22881   -0.12708
 37 Pt    0.00000   -0.41379   -0.03377
 38 Pt    0.00000   -0.00577   -0.01086
 39 O     0.00957    0.01225    0.01490
 40 O    -0.00957    0.01225    0.01490
 41 O    -0.00000    0.01353    0.28876
 42 O    -0.00000    0.03480   -0.02151
 43 Pt    0.00000   -0.03079    0.00461
 44 Pt    0.00000   -0.10407   -0.16216
 45 O    -0.08537   -0.52776   -0.05327
 46 O     0.08537   -0.52776   -0.05327
 47 O     0.00000   -0.02425   -0.05065
 48 O    -0.00000    0.02252    1.17145
 49 Pt    0.00000   -0.02334   -0.37547
 50 Pt   -0.00000    0.02096   -0.43442
 51 O    -1.69135   -0.01387   -0.71825
 52 O     1.69135   -0.01387   -0.71825
 53 O     0.00000   -0.00787   -1.40463
 54 O     0.00000   -0.00204    1.77598
 55 Pt    0.00000   -0.01244    0.51729
 56 Pt   -0.00000    0.11156    0.64777
 57 O    -1.61406    0.01403    0.09122
 58 O     1.61406    0.01403    0.09122
 59 O     0.00000   -0.02139   -0.51556
 60 O     0.00000   -0.25369   -0.10925
 61 Pt   -0.00000    0.08718   -0.10183
 62 Pt   -0.00000    0.01695   -0.00704
 63 O    -0.01455   -0.00688    0.00318
 64 O     0.01455   -0.00688    0.00318
 65 O     0.00000    0.00308    0.00157
 66 O     0.00000   -0.02073   -0.00178
 67 Pt   -0.00000    0.02502   -0.02972
 68 Pt   -0.00000    0.15914    0.01721
 69 O     0.03311    0.07250   -0.06823
 70 O    -0.03311    0.07250   -0.06823
 71 O    -0.00000    0.01029   -0.04658
 72 N    -0.00000    0.81446    0.17901
 73 N     0.00000   -0.90542    0.64208

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.245466   23.629601    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.169340   23.867717    ( 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  04:09:01  -3.12   +inf  -413.949036    3      1      
iter:   2  04:11:27  -3.89  -3.29  -414.061310    3      1      
iter:   3  04:13:52  -4.28  -2.58  -413.950353    3      1      
iter:   4  04:16:17  -4.88  -3.75  -413.947446    3      1      
iter:   5  04:18:43  -4.75  -3.81  -413.947641    3      1      
iter:   6  04:21:09  -5.04  -4.18  -413.947985    2      1      
iter:   7  04:23:35  -5.77  -4.19  -413.947625    2      1      
iter:   8  04:26:00  -6.16  -4.63  -413.947705    2      1      
iter:   9  04:28:26  -6.06  -4.47  -413.947342    2      1      
iter:  10  04:30:53  -6.34  -4.45  -413.947853    2      1      
iter:  11  04:33:18  -6.87  -4.43  -413.947574    2      1      
iter:  12  04:35:44  -7.39  -4.80  -413.947639    2      1      
iter:  13  04:38:11  -7.24  -4.73  -413.947742    2      1      
iter:  14  04:40:37  -7.28  -4.85  -413.947691    2      1      
iter:  15  04:43:04  -7.56  -5.29  -413.947727    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961971, -32.503532, 0.058807) |e|*Ang

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

Kinetic:        +20.625263
Potential:     -138.455464
External:        +0.000000
XC:            -305.836038
Entropy (-ST):   -1.563060
Local:          +10.500042
--------------------------
Free energy:   -414.729257
Extrapolated:  -413.947727

Fermi level: -6.48483

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54217    0.14212
  0   340     -6.53855    0.14026
  0   341     -6.53567    0.13876
  0   342     -6.50031    0.11969

  1   339     -6.46019    0.19498
  1   340     -6.41157    0.14427
  1   341     -6.38006    0.11540
  1   342     -6.36353    0.10185



Forces in eV/Ang:
  0 O     0.00000   -0.01707    1.17377
  1 Pt    0.00000   -0.00347   -0.37320
  2 Pt    0.00000   -0.01888   -0.43358
  3 O    -1.68285    0.00033   -0.71886
  4 O     1.68285    0.00033   -0.71886
  5 O     0.00000   -0.01494   -1.38336
  6 O     0.00000   -0.00250    1.76783
  7 Pt   -0.00000    0.01359    0.45110
  8 Pt    0.00000   -0.03003    0.74101
  9 O    -1.58074    0.00057    0.05313
 10 O     1.58074    0.00057    0.05313
 11 O     0.00000   -0.00895   -0.56412
 12 O    -0.00000    0.03922    0.15901
 13 Pt   -0.00000    0.31352   -0.02304
 14 Pt    0.00000   -0.01849    0.01072
 15 O    -0.00026    0.00924    0.00308
 16 O     0.00026    0.00924    0.00308
 17 O    -0.00000    0.01214   -1.18056
 18 O    -0.00000    0.01152    0.03000
 19 Pt    0.00000   -0.01749    0.14346
 20 Pt    0.00000   -0.01303    0.23960
 21 O    -0.21862    0.39710    0.23549
 22 O     0.21862    0.39710    0.23549
 23 O     0.00000   -0.02072   -0.08158
 24 O     0.00000   -0.00144    1.14952
 25 Pt   -0.00000    0.01857   -0.37708
 26 Pt    0.00000   -0.00020   -0.43525
 27 O    -1.69170    0.01325   -0.71785
 28 O     1.69170    0.01325   -0.71785
 29 O    -0.00000    0.04593   -1.38870
 30 O     0.00000   -0.00464    1.83522
 31 Pt   -0.00000    0.01990    0.51057
 32 Pt    0.00000   -0.14130    0.58157
 33 O    -1.61500   -0.01926    0.07049
 34 O     1.61500   -0.01926    0.07049
 35 O     0.00000   -0.03231   -0.52415
 36 O    -0.00000    0.22851   -0.12571
 37 Pt    0.00000   -0.41162   -0.03392
 38 Pt    0.00000   -0.00598   -0.01040
 39 O     0.00911    0.01222    0.01495
 40 O    -0.00911    0.01222    0.01495
 41 O    -0.00000    0.01285    0.28006
 42 O    -0.00000    0.03481   -0.02119
 43 Pt    0.00000   -0.03010    0.00402
 44 Pt    0.00000   -0.10440   -0.16663
 45 O    -0.08747   -0.52449   -0.05311
 46 O     0.08747   -0.52449   -0.05311
 47 O     0.00000   -0.02360   -0.05245
 48 O    -0.00000    0.02252    1.17165
 49 Pt    0.00000   -0.02329   -0.37546
 50 Pt   -0.00000    0.02099   -0.43494
 51 O    -1.69086   -0.01389   -0.71816
 52 O     1.69086   -0.01389   -0.71816
 53 O     0.00000   -0.00798   -1.40488
 54 O     0.00000   -0.00210    1.77566
 55 Pt    0.00000   -0.01246    0.51709
 56 Pt   -0.00000    0.11180    0.64771
 57 O    -1.61419    0.01402    0.09101
 58 O     1.61419    0.01402    0.09101
 59 O     0.00000   -0.02140   -0.51544
 60 O     0.00000   -0.25174   -0.10934
 61 Pt   -0.00000    0.08503   -0.10139
 62 Pt   -0.00000    0.01705   -0.00669
 63 O    -0.01482   -0.00694    0.00323
 64 O     0.01482   -0.00694    0.00323
 65 O     0.00000    0.00278    0.00394
 66 O     0.00000   -0.02065   -0.00172
 67 Pt   -0.00000    0.02442   -0.02874
 68 Pt   -0.00000    0.15884    0.01712
 69 O     0.03105    0.06976   -0.06860
 70 O    -0.03105    0.06976   -0.06860
 71 O    -0.00000    0.01064   -0.04735
 72 N    -0.00000    0.72774    0.26644
 73 N     0.00000   -0.74609    0.56867

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.232998   23.635417    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.153752   23.874398    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:53:27  -3.04   +inf  -413.993755    3      1      
iter:   2  04:55:53  -3.19  -2.76  -415.308455    3      1      
iter:   3  04:58:18  -3.58  -2.05  -413.967559    2      1      
iter:   4  05:00:43  -4.22  -3.28  -413.956155    3      1      
iter:   5  05:03:09  -4.60  -3.57  -413.956103    3      1      
iter:   6  05:05:34  -4.80  -3.75  -413.954047    3      1      
iter:   7  05:08:00  -5.03  -3.96  -413.953887    3      1      
iter:   8  05:10:25  -5.39  -4.08  -413.954033    2      1      
iter:   9  05:12:51  -5.71  -4.36  -413.953796    2      1      
iter:  10  05:15:16  -6.02  -4.33  -413.954301    3      1      
iter:  11  05:17:42  -5.98  -4.24  -413.953645    2      1      
iter:  12  05:20:08  -6.50  -4.56  -413.954131    2      1      
iter:  13  05:22:33  -6.72  -4.20  -413.953783    2      1      
iter:  14  05:24:58  -7.07  -4.55  -413.953836    2      1      
iter:  15  05:27:24  -6.86  -4.93  -413.953910    2      1      
iter:  16  05:29:49  -6.99  -4.99  -413.953830    2      1      
iter:  17  05:32:14  -7.68  -4.88  -413.953887    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961982, -32.503308, 0.056729) |e|*Ang

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

Kinetic:        +20.055539
Potential:     -138.011842
External:        +0.000000
XC:            -305.713632
Entropy (-ST):   -1.563124
Local:          +10.497611
--------------------------
Free energy:   -414.735449
Extrapolated:  -413.953887

Fermi level: -6.48660

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54415    0.14223
  0   340     -6.54035    0.14027
  0   341     -6.53779    0.13894
  0   342     -6.50250    0.11993

  1   339     -6.46193    0.19494
  1   340     -6.41334    0.14427
  1   341     -6.38192    0.11548
  1   342     -6.36521    0.10178



Forces in eV/Ang:
  0 O     0.00000   -0.01705    1.17397
  1 Pt    0.00000   -0.00348   -0.37301
  2 Pt    0.00000   -0.01886   -0.43355
  3 O    -1.68277    0.00033   -0.71875
  4 O     1.68277    0.00033   -0.71875
  5 O     0.00000   -0.01487   -1.38330
  6 O     0.00000   -0.00249    1.76785
  7 Pt   -0.00000    0.01355    0.45120
  8 Pt    0.00000   -0.03019    0.74095
  9 O    -1.58053    0.00055    0.05321
 10 O     1.58053    0.00055    0.05321
 11 O     0.00000   -0.00895   -0.56428
 12 O    -0.00000    0.03845    0.15921
 13 Pt   -0.00000    0.31348   -0.02304
 14 Pt    0.00000   -0.01856    0.01115
 15 O    -0.00020    0.00915    0.00332
 16 O     0.00020    0.00915    0.00332
 17 O    -0.00000    0.01263   -1.18069
 18 O    -0.00000    0.01138    0.03001
 19 Pt    0.00000   -0.01753    0.14256
 20 Pt    0.00000   -0.01247    0.23860
 21 O    -0.21867    0.39712    0.23427
 22 O     0.21867    0.39712    0.23427
 23 O     0.00000   -0.02116   -0.08292
 24 O     0.00000   -0.00145    1.14972
 25 Pt   -0.00000    0.01852   -0.37691
 26 Pt    0.00000   -0.00022   -0.43525
 27 O    -1.69163    0.01326   -0.71772
 28 O     1.69163    0.01326   -0.71772
 29 O    -0.00000    0.04590   -1.38854
 30 O     0.00000   -0.00473    1.83514
 31 Pt   -0.00000    0.01991    0.51062
 32 Pt    0.00000   -0.14137    0.58122
 33 O    -1.61478   -0.01927    0.07063
 34 O     1.61478   -0.01927    0.07063
 35 O     0.00000   -0.03234   -0.52419
 36 O    -0.00000    0.22858   -0.12480
 37 Pt    0.00000   -0.41030   -0.03372
 38 Pt    0.00000   -0.00581   -0.01003
 39 O     0.00929    0.01227    0.01524
 40 O    -0.00929    0.01227    0.01524
 41 O    -0.00000    0.01298    0.27285
 42 O    -0.00000    0.03472   -0.02111
 43 Pt    0.00000   -0.02939    0.00409
 44 Pt    0.00000   -0.11069   -0.15788
 45 O    -0.08943   -0.52185   -0.05130
 46 O     0.08943   -0.52185   -0.05130
 47 O     0.00000   -0.02319   -0.05417
 48 O    -0.00000    0.02250    1.17184
 49 Pt    0.00000   -0.02322   -0.37532
 50 Pt   -0.00000    0.02099   -0.43494
 51 O    -1.69079   -0.01390   -0.71806
 52 O     1.69079   -0.01390   -0.71806
 53 O     0.00000   -0.00802   -1.40491
 54 O     0.00000   -0.00202    1.77573
 55 Pt    0.00000   -0.01243    0.51727
 56 Pt   -0.00000    0.11206    0.64779
 57 O    -1.61395    0.01404    0.09116
 58 O     1.61395    0.01404    0.09116
 59 O     0.00000   -0.02137   -0.51552
 60 O     0.00000   -0.25088   -0.10929
 61 Pt   -0.00000    0.08320   -0.10107
 62 Pt   -0.00000    0.01698   -0.00632
 63 O    -0.01481   -0.00691    0.00346
 64 O     0.01481   -0.00691    0.00346
 65 O     0.00000    0.00273    0.00357
 66 O     0.00000   -0.02051   -0.00175
 67 Pt   -0.00000    0.02391   -0.02815
 68 Pt   -0.00000    0.15841    0.01560
 69 O     0.02936    0.06752   -0.06805
 70 O    -0.02936    0.06752   -0.06805
 71 O    -0.00000    0.01073   -0.04859
 72 N    -0.00000    0.28613    0.33895
 73 N     0.00000   -0.23603    0.43767

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.225451   23.654893    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.148491   23.876956    ( 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  05:40:23  -2.98   +inf  -413.990752    4      1      
iter:   2  05:42:49  -3.42  -2.95  -414.406586    3      1      
iter:   3  05:45:14  -3.75  -2.27  -413.968913    3      1      
iter:   4  05:47:39  -4.29  -3.04  -413.961956    3      1      
iter:   5  05:50:05  -4.82  -3.77  -413.959195    3      1      
iter:   6  05:52:31  -4.62  -3.71  -413.956745    3      1      
iter:   7  05:54:56  -5.08  -3.88  -413.957541    3      1      
iter:   8  05:57:22  -4.89  -4.06  -413.957851    3      1      
iter:   9  05:59:47  -5.17  -4.16  -413.957961    3      1      
iter:  10  06:02:12  -6.07  -3.99  -413.958435    3      1      
iter:  11  06:04:38  -6.03  -3.88  -413.957515    3      1      
iter:  12  06:07:04  -6.12  -4.31  -413.958243    2      1      
iter:  13  06:09:29  -6.30  -4.24  -413.957830    2      1      
iter:  14  06:11:55  -6.59  -4.80  -413.957826    2      1      
iter:  15  06:14:20  -6.84  -4.84  -413.957800    2      1      
iter:  16  06:16:46  -7.38  -4.92  -413.957809    2      1      
iter:  17  06:19:13  -7.27  -4.93  -413.957846    2      1      
iter:  18  06:21:39  -7.76  -4.63  -413.957844    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962087, -32.503868, 0.055576) |e|*Ang

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

Kinetic:        +20.883269
Potential:     -138.682439
External:        +0.000000
XC:            -305.874477
Entropy (-ST):   -1.563399
Local:          +10.497502
--------------------------
Free energy:   -414.739544
Extrapolated:  -413.957844

Fermi level: -6.48768

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54541    0.14232
  0   340     -6.54134    0.14023
  0   341     -6.53913    0.13908
  0   342     -6.50366    0.11997

  1   339     -6.46297    0.19491
  1   340     -6.41433    0.14419
  1   341     -6.38276    0.11529
  1   342     -6.36627    0.10177



Forces in eV/Ang:
  0 O     0.00000   -0.01708    1.17334
  1 Pt    0.00000   -0.00343   -0.37351
  2 Pt    0.00000   -0.01888   -0.43416
  3 O    -1.68317    0.00032   -0.71895
  4 O     1.68317    0.00032   -0.71895
  5 O     0.00000   -0.01467   -1.38325
  6 O     0.00000   -0.00250    1.76686
  7 Pt   -0.00000    0.01360    0.45091
  8 Pt    0.00000   -0.03090    0.74154
  9 O    -1.58096    0.00058    0.05291
 10 O     1.58096    0.00058    0.05291
 11 O     0.00000   -0.00894   -0.56446
 12 O    -0.00000    0.03661    0.15773
 13 Pt   -0.00000    0.31296   -0.02525
 14 Pt    0.00000   -0.01862    0.01022
 15 O    -0.00026    0.00931    0.00300
 16 O     0.00026    0.00931    0.00300
 17 O    -0.00000    0.01243   -1.17897
 18 O    -0.00000    0.01059    0.02989
 19 Pt    0.00000   -0.01708    0.14616
 20 Pt    0.00000   -0.01454    0.24043
 21 O    -0.21784    0.39747    0.23745
 22 O     0.21784    0.39747    0.23745
 23 O     0.00000   -0.01895   -0.07912
 24 O     0.00000   -0.00141    1.14908
 25 Pt   -0.00000    0.01838   -0.37738
 26 Pt    0.00000   -0.00019   -0.43582
 27 O    -1.69201    0.01326   -0.71796
 28 O     1.69201    0.01326   -0.71796
 29 O    -0.00000    0.04586   -1.38838
 30 O     0.00000   -0.00470    1.83410
 31 Pt   -0.00000    0.01989    0.51038
 32 Pt    0.00000   -0.14127    0.58095
 33 O    -1.61513   -0.01929    0.07046
 34 O     1.61513   -0.01929    0.07046
 35 O     0.00000   -0.03234   -0.52428
 36 O    -0.00000    0.22859   -0.12472
 37 Pt    0.00000   -0.40550   -0.03570
 38 Pt    0.00000   -0.00562   -0.01110
 39 O     0.00928    0.01218    0.01462
 40 O    -0.00928    0.01218    0.01462
 41 O    -0.00000    0.01023    0.25767
 42 O    -0.00000    0.03530   -0.02112
 43 Pt    0.00000   -0.02951    0.01445
 44 Pt    0.00000   -0.09751   -0.15611
 45 O    -0.09546   -0.51424   -0.03537
 46 O     0.09546   -0.51424   -0.03537
 47 O     0.00000   -0.02482   -0.05026
 48 O    -0.00000    0.02249    1.17120
 49 Pt    0.00000   -0.02314   -0.37585
 50 Pt   -0.00000    0.02099   -0.43562
 51 O    -1.69120   -0.01390   -0.71828
 52 O     1.69120   -0.01390   -0.71828
 53 O     0.00000   -0.00816   -1.40474
 54 O     0.00000   -0.00204    1.77469
 55 Pt    0.00000   -0.01246    0.51700
 56 Pt   -0.00000    0.11261    0.64817
 57 O    -1.61432    0.01404    0.09101
 58 O     1.61432    0.01404    0.09101
 59 O     0.00000   -0.02138   -0.51553
 60 O     0.00000   -0.24934   -0.10998
 61 Pt   -0.00000    0.07943   -0.10245
 62 Pt   -0.00000    0.01685   -0.00715
 63 O    -0.01490   -0.00697    0.00299
 64 O     0.01490   -0.00697    0.00299
 65 O     0.00000    0.00273    0.00278
 66 O     0.00000   -0.02042   -0.00208
 67 Pt   -0.00000    0.02310   -0.02064
 68 Pt   -0.00000    0.15724    0.02282
 69 O     0.02737    0.06282   -0.06301
 70 O    -0.02737    0.06282   -0.06301
 71 O    -0.00000    0.01021   -0.04545
 72 N    -0.00000    1.08546    0.10851
 73 N     0.00000   -1.04850    0.61763

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.214003   23.665491    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.132207   23.886400    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:34:43  -2.94   +inf  -414.011117    3      1      
iter:   2  06:37:11  -3.16  -2.75  -415.340657    3      1      
iter:   3  06:39:36  -3.55  -2.05  -413.986194    2      1      
iter:   4  06:42:02  -4.16  -3.22  -413.973100    3      1      
iter:   5  06:44:27  -4.48  -3.42  -413.971579    3      1      
iter:   6  06:46:53  -4.74  -3.73  -413.969928    3      1      
iter:   7  06:49:19  -4.74  -3.76  -413.968912    3      1      
iter:   8  06:51:44  -5.23  -3.99  -413.969086    2      1      
iter:   9  06:54:11  -5.50  -4.22  -413.968561    2      1      
iter:  10  06:56:38  -6.12  -4.26  -413.969642    3      1      
iter:  11  06:59:04  -6.02  -4.10  -413.968680    2      1      
iter:  12  07:01:30  -5.93  -4.34  -413.968672    2      1      
iter:  13  07:03:57  -6.48  -4.01  -413.968798    2      1      
iter:  14  07:06:23  -6.61  -4.57  -413.968798    2      1      
iter:  15  07:08:49  -6.65  -4.75  -413.968925    2      1      
iter:  16  07:11:15  -6.97  -4.65  -413.968637    2      1      
iter:  17  07:13:42  -7.31  -4.60  -413.968814    2      1      
iter:  18  07:16:08  -7.92  -4.98  -413.968805    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962050, -32.503590, 0.052677) |e|*Ang

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

Kinetic:        +20.170465
Potential:     -138.148160
External:        +0.000000
XC:            -305.705007
Entropy (-ST):   -1.563539
Local:          +10.495666
--------------------------
Free energy:   -414.750574
Extrapolated:  -413.968805

Fermi level: -6.48985

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54798    0.14252
  0   340     -6.54366    0.14030
  0   341     -6.54168    0.13928
  0   342     -6.50630    0.12023

  1   339     -6.46517    0.19493
  1   340     -6.41656    0.14425
  1   341     -6.38504    0.11537
  1   342     -6.36831    0.10166



Forces in eV/Ang:
  0 O     0.00000   -0.01707    1.17390
  1 Pt    0.00000   -0.00345   -0.37282
  2 Pt    0.00000   -0.01889   -0.43352
  3 O    -1.68238    0.00031   -0.71872
  4 O     1.68238    0.00031   -0.71872
  5 O     0.00000   -0.01455   -1.38357
  6 O     0.00000   -0.00248    1.76907
  7 Pt   -0.00000    0.01358    0.45176
  8 Pt    0.00000   -0.03115    0.74220
  9 O    -1.58059    0.00056    0.05316
 10 O     1.58059    0.00056    0.05316
 11 O     0.00000   -0.00892   -0.56445
 12 O    -0.00000    0.03512    0.15794
 13 Pt   -0.00000    0.31268   -0.02470
 14 Pt    0.00000   -0.01862    0.01120
 15 O    -0.00044    0.00927    0.00354
 16 O     0.00044    0.00927    0.00354
 17 O    -0.00000    0.01315   -1.17721
 18 O    -0.00000    0.01070    0.02968
 19 Pt    0.00000   -0.01774    0.14225
 20 Pt    0.00000   -0.01331    0.23472
 21 O    -0.21870    0.39745    0.23374
 22 O     0.21870    0.39745    0.23374
 23 O     0.00000   -0.02125   -0.08378
 24 O     0.00000   -0.00141    1.14967
 25 Pt   -0.00000    0.01833   -0.37668
 26 Pt    0.00000   -0.00019   -0.43516
 27 O    -1.69121    0.01327   -0.71771
 28 O     1.69121    0.01327   -0.71771
 29 O    -0.00000    0.04585   -1.38840
 30 O     0.00000   -0.00474    1.83625
 31 Pt   -0.00000    0.01988    0.51117
 32 Pt    0.00000   -0.14131    0.58094
 33 O    -1.61477   -0.01925    0.07079
 34 O     1.61477   -0.01925    0.07079
 35 O     0.00000   -0.03237   -0.52426
 36 O    -0.00000    0.22842   -0.12322
 37 Pt    0.00000   -0.40304   -0.03446
 38 Pt    0.00000   -0.00568   -0.00986
 39 O     0.00921    0.01221    0.01551
 40 O    -0.00921    0.01221    0.01551
 41 O    -0.00000    0.00949    0.24792
 42 O    -0.00000    0.03471   -0.02093
 43 Pt    0.00000   -0.02840    0.00976
 44 Pt    0.00000   -0.10270   -0.15017
 45 O    -0.09875   -0.51061   -0.03485
 46 O     0.09875   -0.51061   -0.03485
 47 O     0.00000   -0.02274   -0.05577
 48 O    -0.00000    0.02247    1.17177
 49 Pt    0.00000   -0.02306   -0.37515
 50 Pt   -0.00000    0.02099   -0.43497
 51 O    -1.69039   -0.01390   -0.71804
 52 O     1.69039   -0.01390   -0.71804
 53 O     0.00000   -0.00827   -1.40509
 54 O     0.00000   -0.00201    1.77690
 55 Pt    0.00000   -0.01243    0.51778
 56 Pt   -0.00000    0.11293    0.64880
 57 O    -1.61399    0.01402    0.09132
 58 O     1.61399    0.01402    0.09132
 59 O     0.00000   -0.02136   -0.51559
 60 O     0.00000   -0.24754   -0.10980
 61 Pt   -0.00000    0.07677   -0.10086
 62 Pt   -0.00000    0.01694   -0.00621
 63 O    -0.01499   -0.00697    0.00365
 64 O     0.01499   -0.00697    0.00365
 65 O     0.00000    0.00254    0.00406
 66 O     0.00000   -0.02006   -0.00204
 67 Pt   -0.00000    0.02275   -0.02310
 68 Pt   -0.00000    0.15658    0.01635
 69 O     0.02443    0.06008   -0.06512
 70 O    -0.02443    0.06008   -0.06512
 71 O    -0.00000    0.01056   -0.04950
 72 N    -0.00000    0.41526    0.32340
 73 N     0.00000   -0.38729    0.50068

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.202137   23.677500    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.116539   23.896667    ( 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  07:29:07  -2.93   +inf  -414.054404    3      1      
iter:   2  07:31:33  -2.95  -2.63  -416.373687    3      1      
iter:   3  07:33:58  -3.37  -1.93  -414.004350    3      1      
iter:   4  07:36:24  -3.95  -2.98  -413.981042    3      1      
iter:   5  07:38:49  -4.21  -3.72  -413.979332    3      1      
iter:   6  07:41:16  -4.77  -3.70  -413.976919    3      1      
iter:   7  07:43:42  -5.08  -3.82  -413.978004    3      1      
iter:   8  07:46:07  -5.38  -3.99  -413.977892    2      1      
iter:   9  07:48:34  -5.71  -4.27  -413.978104    2      1      
iter:  10  07:51:00  -5.87  -3.99  -413.977179    2      1      
iter:  11  07:53:25  -5.98  -3.93  -413.977815    3      1      
iter:  12  07:55:53  -6.05  -4.38  -413.977261    2      1      
iter:  13  07:58:19  -6.35  -4.30  -413.977716    2      1      
iter:  14  08:00:46  -6.65  -4.60  -413.977642    2      1      
iter:  15  08:03:12  -6.79  -4.81  -413.977635    2      1      
iter:  16  08:05:40  -7.18  -4.73  -413.977778    2      1      
iter:  17  08:08:06  -7.18  -4.51  -413.977655    2      1      
iter:  18  08:10:32  -7.55  -5.17  -413.977726    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962101, -32.503357, 0.050204) |e|*Ang

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

Kinetic:        +19.512375
Potential:     -137.638815
External:        +0.000000
XC:            -305.565578
Entropy (-ST):   -1.563621
Local:          +10.496103
--------------------------
Free energy:   -414.759537
Extrapolated:  -413.977726

Fermi level: -6.49240

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55089    0.14271
  0   340     -6.54604    0.14021
  0   341     -6.54456    0.13945
  0   342     -6.50939    0.12053

  1   339     -6.46749    0.19468
  1   340     -6.41898    0.14412
  1   341     -6.38759    0.11537
  1   342     -6.37080    0.10161



Forces in eV/Ang:
  0 O     0.00000   -0.01706    1.17400
  1 Pt    0.00000   -0.00344   -0.37357
  2 Pt    0.00000   -0.01888   -0.43395
  3 O    -1.68367    0.00031   -0.71876
  4 O     1.68367    0.00031   -0.71876
  5 O     0.00000   -0.01444   -1.38334
  6 O     0.00000   -0.00247    1.76447
  7 Pt   -0.00000    0.01357    0.44984
  8 Pt    0.00000   -0.03149    0.74095
  9 O    -1.58068    0.00056    0.05265
 10 O     1.58068    0.00056    0.05265
 11 O     0.00000   -0.00895   -0.56498
 12 O    -0.00000    0.03383    0.15700
 13 Pt   -0.00000    0.31262   -0.02658
 14 Pt    0.00000   -0.01876    0.01059
 15 O    -0.00017    0.00923    0.00321
 16 O     0.00017    0.00923    0.00321
 17 O    -0.00000    0.01359   -1.17932
 18 O    -0.00000    0.01034    0.02977
 19 Pt    0.00000   -0.01758    0.14262
 20 Pt    0.00000   -0.01327    0.23612
 21 O    -0.21809    0.39754    0.23398
 22 O     0.21809    0.39754    0.23398
 23 O     0.00000   -0.02094   -0.08359
 24 O     0.00000   -0.00140    1.14978
 25 Pt   -0.00000    0.01826   -0.37739
 26 Pt    0.00000   -0.00019   -0.43557
 27 O    -1.69249    0.01327   -0.71777
 28 O     1.69249    0.01327   -0.71777
 29 O    -0.00000    0.04583   -1.38803
 30 O     0.00000   -0.00476    1.83159
 31 Pt   -0.00000    0.01986    0.50918
 32 Pt    0.00000   -0.14127    0.57914
 33 O    -1.61485   -0.01926    0.07031
 34 O     1.61485   -0.01926    0.07031
 35 O     0.00000   -0.03235   -0.52481
 36 O    -0.00000    0.22857   -0.12309
 37 Pt    0.00000   -0.40056   -0.03598
 38 Pt    0.00000   -0.00551   -0.01040
 39 O     0.00961    0.01220    0.01517
 40 O    -0.00961    0.01220    0.01517
 41 O    -0.00000    0.00878    0.23517
 42 O    -0.00000    0.03485   -0.02063
 43 Pt    0.00000   -0.02753    0.01353
 44 Pt    0.00000   -0.10542   -0.13843
 45 O    -0.10239   -0.50626   -0.02648
 46 O     0.10239   -0.50626   -0.02648
 47 O     0.00000   -0.02276   -0.05593
 48 O    -0.00000    0.02245    1.17187
 49 Pt    0.00000   -0.02301   -0.37590
 50 Pt   -0.00000    0.02099   -0.43543
 51 O    -1.69167   -0.01390   -0.71809
 52 O     1.69167   -0.01390   -0.71809
 53 O     0.00000   -0.00838   -1.40486
 54 O     0.00000   -0.00201    1.77230
 55 Pt    0.00000   -0.01241    0.51583
 56 Pt   -0.00000    0.11327    0.64760
 57 O    -1.61407    0.01402    0.09088
 58 O     1.61407    0.01402    0.09088
 59 O     0.00000   -0.02136   -0.51601
 60 O     0.00000   -0.24630   -0.11072
 61 Pt   -0.00000    0.07394   -0.10206
 62 Pt   -0.00000    0.01694   -0.00681
 63 O    -0.01473   -0.00692    0.00328
 64 O     0.01473   -0.00692    0.00328
 65 O     0.00000    0.00261    0.00065
 66 O     0.00000   -0.01995   -0.00206
 67 Pt   -0.00000    0.02180   -0.02014
 68 Pt   -0.00000    0.15569    0.01786
 69 O     0.02305    0.05701   -0.06298
 70 O    -0.02305    0.05701   -0.06298
 71 O    -0.00000    0.01036   -0.04929
 72 N     0.00000   -0.03987    0.37689
 73 N    -0.00000    0.09002    0.40117

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.190312   23.690021    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.103197   23.907280    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:15:52  -3.00   +inf  -413.982182    3      1      
iter:   2  08:18:17  -3.88  -3.31  -414.007749    3      1      
iter:   3  08:20:44  -4.35  -3.02  -413.998760    3      1      
iter:   4  08:23:10  -4.86  -3.08  -413.984862    3      1      
iter:   5  08:25:36  -4.76  -4.04  -413.984449    2      1      
iter:   6  08:28:03  -4.83  -3.96  -413.984402    2      1      
iter:   7  08:30:29  -5.69  -4.27  -413.984488    2      1      
iter:   8  08:32:56  -5.97  -4.18  -413.984646    2      1      
iter:   9  08:35:22  -5.79  -4.41  -413.983636    2      1      
iter:  10  08:37:48  -6.28  -4.27  -413.984450    2      1      
iter:  11  08:40:14  -6.66  -4.54  -413.984230    2      1      
iter:  12  08:42:41  -7.17  -4.59  -413.984223    2      1      
iter:  13  08:45:07  -7.25  -4.85  -413.984283    2      1      
iter:  14  08:47:34  -7.06  -4.70  -413.984299    2      1      
iter:  15  08:50:00  -7.14  -4.94  -413.984366    2      1      
iter:  16  08:52:26  -7.92  -5.11  -413.984191    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962146, -32.502977, 0.047635) |e|*Ang

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

Kinetic:        +19.261204
Potential:     -137.458577
External:        +0.000000
XC:            -305.503505
Entropy (-ST):   -1.564122
Local:          +10.498748
--------------------------
Free energy:   -414.766252
Extrapolated:  -413.984191

Fermi level: -6.49420

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55301    0.14287
  0   340     -6.54783    0.14021
  0   341     -6.54650    0.13952
  0   342     -6.51143    0.12066

  1   339     -6.46947    0.19488
  1   340     -6.42068    0.14402
  1   341     -6.38939    0.11537
  1   342     -6.37268    0.10168



Forces in eV/Ang:
  0 O     0.00000   -0.01706    1.17377
  1 Pt    0.00000   -0.00342   -0.37270
  2 Pt    0.00000   -0.01888   -0.43294
  3 O    -1.68306    0.00032   -0.71868
  4 O     1.68306    0.00032   -0.71868
  5 O     0.00000   -0.01434   -1.38324
  6 O     0.00000   -0.00248    1.76701
  7 Pt   -0.00000    0.01358    0.45088
  8 Pt    0.00000   -0.03185    0.74238
  9 O    -1.58109    0.00057    0.05281
 10 O     1.58109    0.00057    0.05281
 11 O     0.00000   -0.00895   -0.56502
 12 O    -0.00000    0.03272    0.15651
 13 Pt   -0.00000    0.31225   -0.02847
 14 Pt    0.00000   -0.01887    0.00930
 15 O    -0.00069    0.00927    0.00288
 16 O     0.00069    0.00927    0.00288
 17 O    -0.00000    0.01401   -1.18086
 18 O    -0.00000    0.00993    0.02964
 19 Pt    0.00000   -0.01765    0.14285
 20 Pt    0.00000   -0.01488    0.23494
 21 O    -0.21771    0.39760    0.23456
 22 O     0.21771    0.39760    0.23456
 23 O     0.00000   -0.02065   -0.08295
 24 O     0.00000   -0.00140    1.14955
 25 Pt   -0.00000    0.01820   -0.37651
 26 Pt    0.00000   -0.00021   -0.43453
 27 O    -1.69188    0.01328   -0.71769
 28 O     1.69188    0.01328   -0.71769
 29 O    -0.00000    0.04579   -1.38775
 30 O     0.00000   -0.00475    1.83414
 31 Pt   -0.00000    0.01985    0.51019
 32 Pt    0.00000   -0.14119    0.58002
 33 O    -1.61524   -0.01925    0.07055
 34 O     1.61524   -0.01925    0.07055
 35 O     0.00000   -0.03235   -0.52482
 36 O    -0.00000    0.22843   -0.12235
 37 Pt    0.00000   -0.39827   -0.03765
 38 Pt    0.00000   -0.00538   -0.01161
 39 O     0.00916    0.01216    0.01487
 40 O    -0.00916    0.01216    0.01487
 41 O    -0.00000    0.00830    0.22411
 42 O    -0.00000    0.03496   -0.02062
 43 Pt    0.00000   -0.02672    0.01653
 44 Pt    0.00000   -0.10520   -0.13419
 45 O    -0.10607   -0.50231   -0.01833
 46 O     0.10607   -0.50231   -0.01833
 47 O     0.00000   -0.02281   -0.05568
 48 O    -0.00000    0.02245    1.17163
 49 Pt    0.00000   -0.02297   -0.37504
 50 Pt   -0.00000    0.02100   -0.43442
 51 O    -1.69106   -0.01392   -0.71802
 52 O     1.69106   -0.01392   -0.71802
 53 O     0.00000   -0.00845   -1.40469
 54 O     0.00000   -0.00202    1.77493
 55 Pt    0.00000   -0.01241    0.51684
 56 Pt   -0.00000    0.11359    0.64897
 57 O    -1.61450    0.01401    0.09111
 58 O     1.61450    0.01401    0.09111
 59 O     0.00000   -0.02134   -0.51605
 60 O     0.00000   -0.24495   -0.11075
 61 Pt   -0.00000    0.07159   -0.10312
 62 Pt   -0.00000    0.01695   -0.00790
 63 O    -0.01522   -0.00693    0.00303
 64 O     0.01522   -0.00693    0.00303
 65 O    -0.00000    0.00254   -0.00171
 66 O     0.00000   -0.01980   -0.00222
 67 Pt   -0.00000    0.02113   -0.01793
 68 Pt   -0.00000    0.15510    0.01894
 69 O     0.02173    0.05415   -0.06095
 70 O    -0.02173    0.05415   -0.06095
 71 O    -0.00000    0.01027   -0.04875
 72 N     0.00000   -0.15464    0.35856
 73 N    -0.00000    0.29030    0.26672

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.178965   23.698925    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.087795   23.914293    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:57:53  -3.04   +inf  -413.991749    3      1      
iter:   2  09:00:20  -3.76  -3.21  -414.156796    3      1      
iter:   3  09:02:45  -4.15  -2.50  -413.991732    3      1      
iter:   4  09:05:11  -4.69  -3.61  -413.988023    3      1      
iter:   5  09:07:36  -4.79  -3.58  -413.988787    3      1      
iter:   6  09:10:02  -4.79  -3.89  -413.988034    3      1      
iter:   7  09:12:28  -5.29  -3.90  -413.987455    2      1      
iter:   8  09:14:54  -5.54  -4.13  -413.987622    3      1      
iter:   9  09:17:20  -5.64  -3.99  -413.986783    2      1      
iter:  10  09:19:46  -5.99  -4.06  -413.986941    3      1      
iter:  11  09:22:12  -6.21  -4.48  -413.987338    2      1      
iter:  12  09:24:38  -6.85  -4.38  -413.986971    2      1      
iter:  13  09:27:05  -6.89  -4.57  -413.987239    2      1      
iter:  14  09:29:31  -6.67  -4.80  -413.987179    2      1      
iter:  15  09:31:57  -7.02  -5.03  -413.987272    2      1      
iter:  16  09:34:23  -7.51  -4.76  -413.987190    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962152, -32.502848, 0.045533) |e|*Ang

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

Kinetic:        +18.669154
Potential:     -137.005992
External:        +0.000000
XC:            -305.368996
Entropy (-ST):   -1.563995
Local:          +10.500641
--------------------------
Free energy:   -414.769188
Extrapolated:  -413.987190

Fermi level: -6.49615

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55537    0.14308
  0   340     -6.54984    0.14024
  0   341     -6.54866    0.13963
  0   342     -6.51373    0.12085

  1   339     -6.47123    0.19467
  1   340     -6.42266    0.14406
  1   341     -6.39137    0.11540
  1   342     -6.37445    0.10154



Forces in eV/Ang:
  0 O     0.00000   -0.01703    1.17416
  1 Pt    0.00000   -0.00340   -0.37297
  2 Pt    0.00000   -0.01881   -0.43308
  3 O    -1.68351    0.00036   -0.71853
  4 O     1.68351    0.00036   -0.71853
  5 O     0.00000   -0.01426   -1.38329
  6 O     0.00000   -0.00251    1.76525
  7 Pt   -0.00000    0.01351    0.45019
  8 Pt    0.00000   -0.03214    0.74175
  9 O    -1.58079    0.00051    0.05262
 10 O     1.58079    0.00051    0.05262
 11 O     0.00000   -0.00898   -0.56515
 12 O    -0.00000    0.03168    0.15653
 13 Pt   -0.00000    0.31215   -0.02813
 14 Pt    0.00000   -0.01893    0.01066
 15 O    -0.00032    0.00921    0.00326
 16 O     0.00032    0.00921    0.00326
 17 O    -0.00000    0.01445   -1.17985
 18 O    -0.00000    0.00979    0.02981
 19 Pt    0.00000   -0.01754    0.14130
 20 Pt    0.00000   -0.01420    0.23265
 21 O    -0.21783    0.39776    0.23273
 22 O     0.21783    0.39776    0.23273
 23 O     0.00000   -0.02132   -0.08513
 24 O     0.00000   -0.00143    1.14996
 25 Pt   -0.00000    0.01815   -0.37681
 26 Pt    0.00000   -0.00028   -0.43465
 27 O    -1.69237    0.01328   -0.71755
 28 O     1.69237    0.01328   -0.71755
 29 O    -0.00000    0.04580   -1.38767
 30 O     0.00000   -0.00473    1.83234
 31 Pt   -0.00000    0.01986    0.50942
 32 Pt    0.00000   -0.14113    0.57894
 33 O    -1.61489   -0.01925    0.07040
 34 O     1.61489   -0.01925    0.07040
 35 O     0.00000   -0.03233   -0.52490
 36 O    -0.00000    0.22855   -0.12160
 37 Pt    0.00000   -0.39637   -0.03690
 38 Pt    0.00000   -0.00528   -0.01027
 39 O     0.00959    0.01218    0.01539
 40 O    -0.00959    0.01218    0.01539
 41 O    -0.00000    0.00779    0.21625
 42 O    -0.00000    0.03488   -0.02028
 43 Pt    0.00000   -0.02602    0.01636
 44 Pt    0.00000   -0.10854   -0.12667
 45 O    -0.10869   -0.49932   -0.01574
 46 O     0.10869   -0.49932   -0.01574
 47 O     0.00000   -0.02212   -0.05829
 48 O    -0.00000    0.02244    1.17202
 49 Pt    0.00000   -0.02293   -0.37531
 50 Pt   -0.00000    0.02100   -0.43447
 51 O    -1.69151   -0.01396   -0.71787
 52 O     1.69151   -0.01396   -0.71787
 53 O     0.00000   -0.00854   -1.40469
 54 O     0.00000   -0.00200    1.77360
 55 Pt    0.00000   -0.01235    0.51615
 56 Pt   -0.00000    0.11384    0.64839
 57 O    -1.61419    0.01405    0.09098
 58 O     1.61419    0.01405    0.09098
 59 O     0.00000   -0.02134   -0.51618
 60 O     0.00000   -0.24393   -0.11094
 61 Pt   -0.00000    0.06939   -0.10221
 62 Pt   -0.00000    0.01694   -0.00679
 63 O    -0.01487   -0.00691    0.00337
 64 O     0.01487   -0.00691    0.00337
 65 O    -0.00000    0.00252   -0.00079
 66 O     0.00000   -0.01965   -0.00212
 67 Pt   -0.00000    0.02041   -0.01774
 68 Pt   -0.00000    0.15449    0.01667
 69 O     0.01997    0.05199   -0.06141
 70 O    -0.01997    0.05199   -0.06141
 71 O    -0.00000    0.01030   -0.05069
 72 N     0.00000   -0.68866    0.49974
 73 N    -0.00000    0.68428    0.15763

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.164483   23.708168    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.072608   23.917961    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:42:34  -3.03   +inf  -414.002877    3      1      
iter:   2  09:44:59  -3.62  -3.07  -414.301297    3      1      
iter:   3  09:47:24  -3.96  -2.35  -413.992599    3      1      
iter:   4  09:49:49  -4.59  -3.83  -413.991583    2      1      
iter:   5  09:52:15  -4.46  -4.22  -413.990182    3      1      
iter:   6  09:54:41  -5.25  -4.09  -413.991432    2      1      
iter:   7  09:57:07  -5.77  -4.21  -413.991141    2      1      
iter:   8  09:59:33  -5.87  -4.50  -413.991204    2      1      
iter:   9  10:01:59  -5.90  -4.27  -413.991605    2      1      
iter:  10  10:04:25  -5.99  -3.74  -413.991274    2      1      
iter:  11  10:06:52  -6.63  -4.65  -413.991184    2      1      
iter:  12  10:09:19  -6.99  -5.12  -413.991225    2      1      
iter:  13  10:11:44  -7.64  -5.15  -413.991137    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962191, -32.502871, 0.043953) |e|*Ang

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

Kinetic:        +18.634417
Potential:     -136.983416
External:        +0.000000
XC:            -305.362224
Entropy (-ST):   -1.564215
Local:          +10.502193
--------------------------
Free energy:   -414.773244
Extrapolated:  -413.991137

Fermi level: -6.49726

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55674    0.14322
  0   340     -6.55101    0.14028
  0   341     -6.54986    0.13968
  0   342     -6.51498    0.12093

  1   339     -6.47244    0.19479
  1   340     -6.42378    0.14407
  1   341     -6.39245    0.11537
  1   342     -6.37555    0.10154



Forces in eV/Ang:
  0 O     0.00000   -0.01708    1.17375
  1 Pt    0.00000   -0.00341   -0.37262
  2 Pt    0.00000   -0.01889   -0.43283
  3 O    -1.68311    0.00029   -0.71867
  4 O     1.68311    0.00029   -0.71867
  5 O     0.00000   -0.01417   -1.38261
  6 O     0.00000   -0.00246    1.76826
  7 Pt   -0.00000    0.01364    0.45169
  8 Pt    0.00000   -0.03236    0.74319
  9 O    -1.58087    0.00064    0.05307
 10 O     1.58087    0.00064    0.05307
 11 O     0.00000   -0.00895   -0.56415
 12 O    -0.00000    0.03110    0.15686
 13 Pt   -0.00000    0.31184   -0.02808
 14 Pt    0.00000   -0.01895    0.01036
 15 O    -0.00054    0.00934    0.00323
 16 O     0.00054    0.00934    0.00323
 17 O    -0.00000    0.01442   -1.17743
 18 O    -0.00000    0.00952    0.02971
 19 Pt    0.00000   -0.01767    0.14286
 20 Pt    0.00000   -0.01472    0.23485
 21 O    -0.21776    0.39757    0.23431
 22 O     0.21776    0.39757    0.23431
 23 O     0.00000   -0.02002   -0.08406
 24 O     0.00000   -0.00137    1.14955
 25 Pt   -0.00000    0.01809   -0.37640
 26 Pt    0.00000   -0.00017   -0.43442
 27 O    -1.69191    0.01331   -0.71769
 28 O     1.69191    0.01331   -0.71769
 29 O    -0.00000    0.04577   -1.38701
 30 O     0.00000   -0.00478    1.83508
 31 Pt   -0.00000    0.01978    0.51100
 32 Pt    0.00000   -0.14123    0.57993
 33 O    -1.61497   -0.01935    0.07093
 34 O     1.61497   -0.01935    0.07093
 35 O     0.00000   -0.03239   -0.52392
 36 O    -0.00000    0.22847   -0.12054
 37 Pt    0.00000   -0.39421   -0.03713
 38 Pt    0.00000   -0.00530   -0.01060
 39 O     0.00938    0.01208    0.01519
 40 O    -0.00938    0.01208    0.01519
 41 O    -0.00000    0.00760    0.21069
 42 O    -0.00000    0.03469   -0.02002
 43 Pt    0.00000   -0.02523    0.02161
 44 Pt    0.00000   -0.10860   -0.11522
 45 O    -0.11127   -0.49574   -0.00865
 46 O     0.11127   -0.49574   -0.00865
 47 O     0.00000   -0.02265   -0.05740
 48 O    -0.00000    0.02243    1.17161
 49 Pt    0.00000   -0.02286   -0.37500
 50 Pt   -0.00000    0.02097   -0.43436
 51 O    -1.69113   -0.01392   -0.71803
 52 O     1.69113   -0.01392   -0.71803
 53 O     0.00000   -0.00861   -1.40410
 54 O     0.00000   -0.00201    1.77592
 55 Pt    0.00000   -0.01241    0.51758
 56 Pt   -0.00000    0.11419    0.64977
 57 O    -1.61419    0.01403    0.09145
 58 O     1.61419    0.01403    0.09145
 59 O     0.00000   -0.02131   -0.51514
 60 O     0.00000   -0.24326   -0.11024
 61 Pt   -0.00000    0.06720   -0.10198
 62 Pt   -0.00000    0.01700   -0.00690
 63 O    -0.01506   -0.00696    0.00325
 64 O     0.01506   -0.00696    0.00325
 65 O    -0.00000    0.00261    0.00056
 66 O     0.00000   -0.01931   -0.00192
 67 Pt   -0.00000    0.01966   -0.01277
 68 Pt   -0.00000    0.15440    0.02046
 69 O     0.01856    0.04950   -0.05731
 70 O    -0.01856    0.04950   -0.05731
 71 O    -0.00000    0.00964   -0.04974
 72 N     0.00000   -0.65240    0.43266
 73 N    -0.00000    0.66965    0.17024

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.150743   23.717640    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.056189   23.921268    ( 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  10:27:11  -3.00   +inf  -413.995629    3      1      
iter:   2  10:29:37  -3.79  -3.34  -414.082779    3      1      
iter:   3  10:32:04  -4.21  -2.63  -413.995256    2      1      
iter:   4  10:34:31  -4.55  -3.91  -413.992290    3      1      
iter:   5  10:36:56  -4.58  -3.67  -413.994690    3      1      
iter:   6  10:39:21  -4.91  -3.98  -413.993788    2      1      
iter:   7  10:41:47  -5.66  -4.27  -413.993645    2      1      
iter:   8  10:44:13  -5.71  -4.33  -413.993366    2      1      
iter:   9  10:46:39  -6.19  -4.05  -413.994056    2      1      
iter:  10  10:49:05  -6.02  -3.86  -413.993365    2      1      
iter:  11  10:51:32  -6.54  -4.49  -413.993675    2      1      
iter:  12  10:53:58  -6.99  -4.55  -413.993396    2      1      
iter:  13  10:56:24  -7.03  -4.72  -413.993590    2      1      
iter:  14  10:58:52  -6.90  -5.03  -413.993590    2      1      
iter:  15  11:01:18  -7.47  -4.95  -413.993516    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962225, -32.502780, 0.041711) |e|*Ang

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

Kinetic:        +18.393855
Potential:     -136.808870
External:        +0.000000
XC:            -305.299718
Entropy (-ST):   -1.564306
Local:          +10.503370
--------------------------
Free energy:   -414.775669
Extrapolated:  -413.993516

Fermi level: -6.49953

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55959    0.14351
  0   340     -6.55317    0.14021
  0   341     -6.55218    0.13970
  0   342     -6.51776    0.12121

  1   339     -6.47455    0.19460
  1   340     -6.42591    0.14392
  1   341     -6.39474    0.11539
  1   342     -6.37781    0.10152



Forces in eV/Ang:
  0 O     0.00000   -0.01705    1.17412
  1 Pt    0.00000   -0.00341   -0.37296
  2 Pt    0.00000   -0.01887   -0.43312
  3 O    -1.68415    0.00035   -0.71851
  4 O     1.68415    0.00035   -0.71851
  5 O     0.00000   -0.01411   -1.38309
  6 O     0.00000   -0.00252    1.76321
  7 Pt   -0.00000    0.01352    0.44948
  8 Pt    0.00000   -0.03268    0.74165
  9 O    -1.58099    0.00051    0.05240
 10 O     1.58099    0.00051    0.05240
 11 O     0.00000   -0.00898   -0.56554
 12 O    -0.00000    0.02995    0.15560
 13 Pt   -0.00000    0.31147   -0.03041
 14 Pt    0.00000   -0.01892    0.00975
 15 O    -0.00040    0.00928    0.00301
 16 O     0.00040    0.00928    0.00301
 17 O    -0.00000    0.01495   -1.18010
 18 O    -0.00000    0.00925    0.02967
 19 Pt    0.00000   -0.01757    0.14172
 20 Pt    0.00000   -0.01490    0.23247
 21 O    -0.21713    0.39731    0.23317
 22 O     0.21713    0.39731    0.23317
 23 O     0.00000   -0.02070   -0.08488
 24 O     0.00000   -0.00141    1.14995
 25 Pt   -0.00000    0.01805   -0.37680
 26 Pt    0.00000   -0.00025   -0.43460
 27 O    -1.69297    0.01327   -0.71755
 28 O     1.69297    0.01327   -0.71755
 29 O    -0.00000    0.04578   -1.38724
 30 O     0.00000   -0.00474    1.83041
 31 Pt   -0.00000    0.01986    0.50875
 32 Pt    0.00000   -0.14113    0.57790
 33 O    -1.61507   -0.01921    0.07030
 34 O     1.61507   -0.01921    0.07030
 35 O     0.00000   -0.03233   -0.52523
 36 O    -0.00000    0.22844   -0.12092
 37 Pt    0.00000   -0.39179   -0.03874
 38 Pt    0.00000   -0.00522   -0.01124
 39 O     0.00959    0.01216    0.01502
 40 O    -0.00959    0.01216    0.01502
 41 O    -0.00000    0.00666    0.19815
 42 O    -0.00000    0.03485   -0.02001
 43 Pt    0.00000   -0.02476    0.02135
 44 Pt    0.00000   -0.10904   -0.11269
 45 O    -0.11235   -0.49178   -0.00743
 46 O     0.11235   -0.49178   -0.00743
 47 O     0.00000   -0.02231   -0.05825
 48 O    -0.00000    0.02244    1.17200
 49 Pt    0.00000   -0.02282   -0.37530
 50 Pt   -0.00000    0.02103   -0.43451
 51 O    -1.69211   -0.01394   -0.71786
 52 O     1.69211   -0.01394   -0.71786
 53 O     0.00000   -0.00869   -1.40443
 54 O     0.00000   -0.00199    1.77148
 55 Pt    0.00000   -0.01238    0.51543
 56 Pt   -0.00000    0.11441    0.64812
 57 O    -1.61441    0.01402    0.09088
 58 O     1.61441    0.01402    0.09088
 59 O     0.00000   -0.02133   -0.51651
 60 O     0.00000   -0.24197   -0.11157
 61 Pt   -0.00000    0.06492   -0.10330
 62 Pt   -0.00000    0.01692   -0.00765
 63 O    -0.01496   -0.00696    0.00306
 64 O     0.01496   -0.00696    0.00306
 65 O    -0.00000    0.00250   -0.00351
 66 O     0.00000   -0.01929   -0.00209
 67 Pt   -0.00000    0.01915   -0.01290
 68 Pt   -0.00000    0.15367    0.01908
 69 O     0.01755    0.04737   -0.05806
 70 O    -0.01755    0.04737   -0.05806
 71 O    -0.00000    0.01001   -0.05038
 72 N     0.00000   -0.86330    0.47610
 73 N    -0.00000    0.89545    0.10795

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.134168   23.727363    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.040509   23.921986    ( 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  11:09:19  -2.93   +inf  -414.125322    3      1      
iter:   2  11:11:46  -2.82  -2.57  -417.208749    4      1      
iter:   3  11:14:12  -3.17  -1.88  -414.007003    3      1      
iter:   4  11:16:38  -3.80  -3.07  -414.005455    3      1      
iter:   5  11:19:04  -4.39  -3.48  -413.999500    3      1      
iter:   6  11:21:30  -4.48  -3.62  -413.997362    3      1      
iter:   7  11:23:56  -4.70  -3.87  -413.997670    3      1      
iter:   8  11:26:22  -5.17  -3.96  -413.998111    3      1      
iter:   9  11:28:48  -5.71  -4.10  -413.998120    2      1      
iter:  10  11:31:13  -6.01  -4.45  -413.998077    3      1      
iter:  11  11:33:39  -5.84  -4.41  -413.998435    2      1      
iter:  12  11:36:05  -6.23  -4.29  -413.997923    2      1      
iter:  13  11:38:31  -6.57  -4.43  -413.998249    2      1      
iter:  14  11:40:56  -7.09  -4.56  -413.998102    2      1      
iter:  15  11:43:22  -7.29  -4.85  -413.998164    2      1      
iter:  16  11:45:49  -6.98  -4.70  -413.998063    2      1      
iter:  17  11:48:14  -7.15  -5.13  -413.998024    2      1      
iter:  18  11:50:40  -7.74  -5.12  -413.998117    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962266, -32.503152, 0.040672) |e|*Ang

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

Kinetic:        +18.709010
Potential:     -137.064637
External:        +0.000000
XC:            -305.365025
Entropy (-ST):   -1.564164
Local:          +10.504617
--------------------------
Free energy:   -414.780199
Extrapolated:  -413.998117

Fermi level: -6.50057

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56083    0.14361
  0   340     -6.55429    0.14026
  0   341     -6.55332    0.13976
  0   342     -6.51886    0.12124

  1   339     -6.47548    0.19449
  1   340     -6.42704    0.14401
  1   341     -6.39566    0.11529
  1   342     -6.37871    0.10142



Forces in eV/Ang:
  0 O     0.00000   -0.01706    1.17370
  1 Pt    0.00000   -0.00337   -0.37396
  2 Pt    0.00000   -0.01890   -0.43435
  3 O    -1.68423    0.00031   -0.71889
  4 O     1.68423    0.00031   -0.71889
  5 O     0.00000   -0.01400   -1.38316
  6 O     0.00000   -0.00246    1.76335
  7 Pt   -0.00000    0.01358    0.44949
  8 Pt    0.00000   -0.03293    0.74197
  9 O    -1.58060    0.00056    0.05245
 10 O     1.58060    0.00056    0.05245
 11 O     0.00000   -0.00895   -0.56485
 12 O    -0.00000    0.02881    0.15539
 13 Pt   -0.00000    0.31106   -0.02987
 14 Pt    0.00000   -0.01908    0.01045
 15 O    -0.00025    0.00931    0.00314
 16 O     0.00025    0.00931    0.00314
 17 O    -0.00000    0.01515   -1.17567
 18 O    -0.00000    0.00884    0.02950
 19 Pt    0.00000   -0.01765    0.14556
 20 Pt    0.00000   -0.01681    0.23532
 21 O    -0.21728    0.39733    0.23585
 22 O     0.21728    0.39733    0.23585
 23 O     0.00000   -0.01932   -0.08284
 24 O     0.00000   -0.00138    1.14953
 25 Pt   -0.00000    0.01798   -0.37773
 26 Pt    0.00000   -0.00019   -0.43584
 27 O    -1.69301    0.01330   -0.71793
 28 O     1.69301    0.01330   -0.71793
 29 O    -0.00000    0.04579   -1.38713
 30 O     0.00000   -0.00477    1.83027
 31 Pt   -0.00000    0.01981    0.50877
 32 Pt    0.00000   -0.14118    0.57759
 33 O    -1.61470   -0.01924    0.07043
 34 O     1.61470   -0.01924    0.07043
 35 O     0.00000   -0.03236   -0.52462
 36 O    -0.00000    0.22829   -0.12002
 37 Pt    0.00000   -0.38951   -0.03821
 38 Pt    0.00000   -0.00519   -0.01039
 39 O     0.00989    0.01211    0.01498
 40 O    -0.00989    0.01211    0.01498
 41 O    -0.00000    0.00604    0.19202
 42 O    -0.00000    0.03469   -0.01985
 43 Pt    0.00000   -0.02409    0.02830
 44 Pt    0.00000   -0.10715   -0.10979
 45 O    -0.11533   -0.48731    0.00094
 46 O     0.11533   -0.48731    0.00094
 47 O     0.00000   -0.02348   -0.05640
 48 O    -0.00000    0.02241    1.17157
 49 Pt    0.00000   -0.02278   -0.37628
 50 Pt   -0.00000    0.02101   -0.43586
 51 O    -1.69221   -0.01392   -0.71824
 52 O     1.69221   -0.01392   -0.71824
 53 O     0.00000   -0.00881   -1.40447
 54 O     0.00000   -0.00200    1.77117
 55 Pt    0.00000   -0.01239    0.51534
 56 Pt   -0.00000    0.11473    0.64827
 57 O    -1.61399    0.01400    0.09097
 58 O     1.61399    0.01400    0.09097
 59 O     0.00000   -0.02133   -0.51581
 60 O     0.00000   -0.24069   -0.11138
 61 Pt   -0.00000    0.06281   -0.10232
 62 Pt   -0.00000    0.01706   -0.00665
 63 O    -0.01470   -0.00696    0.00314
 64 O     0.01470   -0.00696    0.00314
 65 O    -0.00000    0.00239   -0.00055
 66 O     0.00000   -0.01886   -0.00216
 67 Pt   -0.00000    0.01844   -0.00705
 68 Pt   -0.00000    0.15416    0.02456
 69 O     0.01611    0.04450   -0.05316
 70 O    -0.01611    0.04450   -0.05316
 71 O    -0.00000    0.00992   -0.04876
 72 N     0.00000   -0.52190    0.42382
 73 N    -0.00000    0.53891    0.23716

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.117706   23.738375    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.022496   23.922603    ( 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  11:56:00  -2.88   +inf  -414.029984    3      1      
iter:   2  11:58:27  -3.29  -2.86  -414.854260    3      1      
iter:   3  12:00:54  -3.65  -2.14  -414.007812    3      1      
iter:   4  12:03:21  -4.25  -3.58  -414.001808    3      1      
iter:   5  12:05:48  -4.59  -3.71  -414.003524    3      1      
iter:   6  12:08:14  -4.50  -3.88  -414.001121    2      1      
iter:   7  12:10:41  -5.35  -4.05  -414.001674    2      1      
iter:   8  12:13:06  -5.71  -4.40  -414.001905    2      1      
iter:   9  12:15:33  -5.89  -4.27  -414.001811    2      1      
iter:  10  12:17:59  -5.99  -4.00  -414.003164    3      1      
iter:  11  12:20:24  -5.91  -4.06  -414.001762    3      1      
iter:  12  12:22:51  -6.57  -4.66  -414.001908    2      1      
iter:  13  12:25:18  -6.90  -4.99  -414.001908    2      1      
iter:  14  12:27:44  -7.36  -5.18  -414.001929    2      1      
iter:  15  12:30:10  -7.77  -5.12  -414.001958    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962300, -32.503574, 0.039328) |e|*Ang

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

Kinetic:        +18.744372
Potential:     -137.107170
External:        +0.000000
XC:            -305.359704
Entropy (-ST):   -1.564324
Local:          +10.502706
--------------------------
Free energy:   -414.784120
Extrapolated:  -414.001958

Fermi level: -6.50158

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56237    0.14388
  0   340     -6.55540    0.14031
  0   341     -6.55445    0.13982
  0   342     -6.52020    0.12143

  1   339     -6.47650    0.19450
  1   340     -6.42804    0.14401
  1   341     -6.39669    0.11530
  1   342     -6.37968    0.10138



Forces in eV/Ang:
  0 O     0.00000   -0.01707    1.17390
  1 Pt    0.00000   -0.00334   -0.37331
  2 Pt    0.00000   -0.01891   -0.43384
  3 O    -1.68398    0.00033   -0.71880
  4 O     1.68398    0.00033   -0.71880
  5 O     0.00000   -0.01391   -1.38305
  6 O     0.00000   -0.00247    1.76476
  7 Pt   -0.00000    0.01359    0.45026
  8 Pt    0.00000   -0.03325    0.74259
  9 O    -1.58081    0.00054    0.05238
 10 O     1.58081    0.00054    0.05238
 11 O     0.00000   -0.00898   -0.56480
 12 O    -0.00000    0.02769    0.15473
 13 Pt   -0.00000    0.31021   -0.03058
 14 Pt    0.00000   -0.01907    0.01032
 15 O    -0.00054    0.00933    0.00303
 16 O     0.00054    0.00933    0.00303
 17 O    -0.00000    0.01537   -1.17291
 18 O    -0.00000    0.00875    0.02904
 19 Pt    0.00000   -0.01795    0.14402
 20 Pt    0.00000   -0.01709    0.23129
 21 O    -0.21738    0.39718    0.23463
 22 O     0.21738    0.39718    0.23463
 23 O     0.00000   -0.01976   -0.08433
 24 O     0.00000   -0.00139    1.14973
 25 Pt   -0.00000    0.01791   -0.37707
 26 Pt    0.00000   -0.00022   -0.43522
 27 O    -1.69275    0.01328   -0.71784
 28 O     1.69275    0.01328   -0.71784
 29 O    -0.00000    0.04584   -1.38680
 30 O     0.00000   -0.00470    1.83184
 31 Pt   -0.00000    0.01980    0.50948
 32 Pt    0.00000   -0.14116    0.57752
 33 O    -1.61490   -0.01921    0.07040
 34 O     1.61490   -0.01921    0.07040
 35 O     0.00000   -0.03234   -0.52463
 36 O    -0.00000    0.22792   -0.11943
 37 Pt    0.00000   -0.38618   -0.03824
 38 Pt    0.00000   -0.00526   -0.01032
 39 O     0.00965    0.01208    0.01499
 40 O    -0.00965    0.01208    0.01499
 41 O    -0.00000    0.00511    0.18308
 42 O    -0.00000    0.03451   -0.02006
 43 Pt    0.00000   -0.02352    0.02798
 44 Pt    0.00000   -0.10585   -0.10431
 45 O    -0.11700   -0.48302    0.00194
 46 O     0.11700   -0.48302    0.00194
 47 O     0.00000   -0.02280   -0.05790
 48 O    -0.00000    0.02244    1.17176
 49 Pt    0.00000   -0.02274   -0.37557
 50 Pt   -0.00000    0.02104   -0.43529
 51 O    -1.69193   -0.01392   -0.71814
 52 O     1.69193   -0.01392   -0.71814
 53 O     0.00000   -0.00895   -1.40425
 54 O     0.00000   -0.00206    1.77275
 55 Pt    0.00000   -0.01238    0.51604
 56 Pt   -0.00000    0.11504    0.64872
 57 O    -1.61422    0.01399    0.09096
 58 O     1.61422    0.01399    0.09096
 59 O     0.00000   -0.02132   -0.51582
 60 O     0.00000   -0.23917   -0.11159
 61 Pt   -0.00000    0.06013   -0.10186
 62 Pt   -0.00000    0.01714   -0.00670
 63 O    -0.01489   -0.00696    0.00308
 64 O     0.01489   -0.00696    0.00308
 65 O    -0.00000    0.00227   -0.00064
 66 O     0.00000   -0.01874   -0.00251
 67 Pt   -0.00000    0.01807   -0.00618
 68 Pt   -0.00000    0.15358    0.02287
 69 O     0.01433    0.04210   -0.05312
 70 O    -0.01433    0.04210   -0.05312
 71 O    -0.00000    0.00977   -0.04994
 72 N     0.00000   -0.53365    0.40358
 73 N    -0.00000    0.48323    0.27233

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.100991   23.749326    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.004662   23.923922    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:40:35  -2.88   +inf  -414.027564    3      1      
iter:   2  12:43:01  -3.37  -2.92  -414.648333    3      1      
iter:   3  12:45:27  -3.73  -2.20  -414.009170    3      1      
iter:   4  12:47:53  -4.35  -3.75  -414.005161    3      1      
iter:   5  12:50:19  -4.56  -3.77  -414.007902    3      1      
iter:   6  12:52:44  -4.56  -3.77  -414.004890    3      1      
iter:   7  12:55:10  -5.44  -4.05  -414.005475    2      1      
iter:   8  12:57:35  -5.78  -4.47  -414.005578    2      1      
iter:   9  13:00:03  -6.01  -4.04  -414.005539    2      1      
iter:  10  13:02:29  -5.93  -4.18  -414.006448    2      1      
iter:  11  13:04:53  -5.99  -4.20  -414.005523    3      1      
iter:  12  13:07:18  -6.70  -4.82  -414.005649    2      1      
iter:  13  13:09:43  -6.95  -4.88  -414.005579    2      1      
iter:  14  13:12:08  -7.31  -5.15  -414.005620    2      1      
iter:  15  13:14:33  -7.59  -4.67  -414.005600    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962319, -32.503914, 0.038280) |e|*Ang

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

Kinetic:        +18.776003
Potential:     -137.140496
External:        +0.000000
XC:            -305.360092
Entropy (-ST):   -1.564513
Local:          +10.501242
--------------------------
Free energy:   -414.787856
Extrapolated:  -414.005600

Fermi level: -6.50248

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56376    0.14413
  0   340     -6.55628    0.14030
  0   341     -6.55534    0.13981
  0   342     -6.52141    0.12160

  1   339     -6.47743    0.19453
  1   340     -6.42890    0.14396
  1   341     -6.39754    0.11526
  1   342     -6.38059    0.10139



Forces in eV/Ang:
  0 O     0.00000   -0.01707    1.17376
  1 Pt    0.00000   -0.00334   -0.37348
  2 Pt    0.00000   -0.01891   -0.43381
  3 O    -1.68418    0.00029   -0.71880
  4 O     1.68418    0.00029   -0.71880
  5 O     0.00000   -0.01380   -1.38280
  6 O     0.00000   -0.00242    1.76458
  7 Pt   -0.00000    0.01365    0.45038
  8 Pt    0.00000   -0.03356    0.74333
  9 O    -1.58066    0.00063    0.05236
 10 O     1.58066    0.00063    0.05236
 11 O     0.00000   -0.00897   -0.56514
 12 O    -0.00000    0.02661    0.15412
 13 Pt   -0.00000    0.30941   -0.03156
 14 Pt    0.00000   -0.01915    0.00960
 15 O    -0.00045    0.00930    0.00282
 16 O     0.00045    0.00930    0.00282
 17 O    -0.00000    0.01556   -1.17187
 18 O    -0.00000    0.00856    0.02904
 19 Pt    0.00000   -0.01817    0.14343
 20 Pt    0.00000   -0.01767    0.22905
 21 O    -0.21727    0.39672    0.23454
 22 O     0.21727    0.39672    0.23454
 23 O     0.00000   -0.01955   -0.08472
 24 O     0.00000   -0.00134    1.14962
 25 Pt   -0.00000    0.01786   -0.37722
 26 Pt    0.00000   -0.00015   -0.43526
 27 O    -1.69295    0.01332   -0.71785
 28 O     1.69295    0.01332   -0.71785
 29 O    -0.00000    0.04581   -1.38652
 30 O     0.00000   -0.00476    1.83118
 31 Pt   -0.00000    0.01969    0.50952
 32 Pt    0.00000   -0.14128    0.57770
 33 O    -1.61472   -0.01934    0.07042
 34 O     1.61472   -0.01934    0.07042
 35 O     0.00000   -0.03236   -0.52496
 36 O    -0.00000    0.22770   -0.11870
 37 Pt    0.00000   -0.38326   -0.03895
 38 Pt    0.00000   -0.00518   -0.01077
 39 O     0.00982    0.01209    0.01479
 40 O    -0.00982    0.01209    0.01479
 41 O    -0.00000    0.00447    0.17300
 42 O    -0.00000    0.03427   -0.01974
 43 Pt    0.00000   -0.02271    0.02909
 44 Pt    0.00000   -0.10463   -0.10095
 45 O    -0.11883   -0.47856    0.00585
 46 O     0.11883   -0.47856    0.00585
 47 O     0.00000   -0.02272   -0.05872
 48 O    -0.00000    0.02238    1.17164
 49 Pt    0.00000   -0.02270   -0.37582
 50 Pt   -0.00000    0.02097   -0.43537
 51 O    -1.69217   -0.01393   -0.71815
 52 O     1.69217   -0.01393   -0.71815
 53 O     0.00000   -0.00903   -1.40407
 54 O     0.00000   -0.00206    1.77224
 55 Pt    0.00000   -0.01234    0.51603
 56 Pt   -0.00000    0.11550    0.64938
 57 O    -1.61398    0.01402    0.09100
 58 O     1.61398    0.01402    0.09100
 59 O     0.00000   -0.02130   -0.51602
 60 O     0.00000   -0.23782   -0.11168
 61 Pt   -0.00000    0.05776   -0.10193
 62 Pt   -0.00000    0.01717   -0.00736
 63 O    -0.01467   -0.00693    0.00287
 64 O     0.01467   -0.00693    0.00287
 65 O    -0.00000    0.00209   -0.00134
 66 O     0.00000   -0.01842   -0.00245
 67 Pt   -0.00000    0.01738   -0.00453
 68 Pt   -0.00000    0.15331    0.02263
 69 O     0.01285    0.03963   -0.05134
 70 O    -0.01285    0.03963   -0.05134
 71 O    -0.00000    0.00960   -0.05025
 72 N     0.00000   -0.49063    0.38200
 73 N    -0.00000    0.48649    0.23661

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.084656   23.760460    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.987186   23.924512    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:19:53  -2.88   +inf  -414.046724    3      1      
iter:   2  13:22:18  -3.24  -2.82  -415.029147    3      1      
iter:   3  13:24:43  -3.58  -2.10  -414.012133    3      1      
iter:   4  13:27:09  -4.29  -3.68  -414.012457    3      1      
iter:   5  13:29:35  -4.39  -3.88  -414.007152    3      1      
iter:   6  13:32:01  -4.48  -3.60  -414.009222    3      1      
iter:   7  13:34:27  -5.32  -3.97  -414.009862    2      1      
iter:   8  13:36:52  -5.64  -4.45  -414.009957    2      1      
iter:   9  13:39:17  -5.95  -3.98  -414.010125    2      1      
iter:  10  13:41:44  -6.01  -4.11  -414.010527    2      1      
iter:  11  13:44:09  -6.12  -4.29  -414.009329    3      1      
iter:  12  13:46:35  -6.15  -4.21  -414.010258    2      1      
iter:  13  13:49:01  -6.37  -4.52  -414.010020    2      1      
iter:  14  13:51:28  -7.04  -4.98  -414.009991    2      1      
iter:  15  13:53:53  -7.37  -5.02  -414.009962    2      1      
iter:  16  13:56:20  -7.51  -4.62  -414.009941    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962346, -32.504340, 0.036354) |e|*Ang

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

Kinetic:        +18.829459
Potential:     -137.193640
External:        +0.000000
XC:            -305.363278
Entropy (-ST):   -1.564638
Local:          +10.499837
--------------------------
Free energy:   -414.792260
Extrapolated:  -414.009941

Fermi level: -6.50350

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56517    0.14433
  0   340     -6.55754    0.14042
  0   341     -6.55660    0.13994
  0   342     -6.52259    0.12169

  1   339     -6.47859    0.19469
  1   340     -6.43001    0.14406
  1   341     -6.39857    0.11528
  1   342     -6.38151    0.10132



Forces in eV/Ang:
  0 O     0.00000   -0.01707    1.17386
  1 Pt    0.00000   -0.00332   -0.37211
  2 Pt    0.00000   -0.01891   -0.43296
  3 O    -1.68272    0.00033   -0.71881
  4 O     1.68272    0.00033   -0.71881
  5 O     0.00000   -0.01373   -1.38374
  6 O     0.00000   -0.00250    1.76882
  7 Pt   -0.00000    0.01361    0.45181
  8 Pt    0.00000   -0.03384    0.74395
  9 O    -1.58112    0.00049    0.05258
 10 O     1.58112    0.00049    0.05258
 11 O     0.00000   -0.00899   -0.56429
 12 O    -0.00000    0.02570    0.15428
 13 Pt   -0.00000    0.30917   -0.03112
 14 Pt    0.00000   -0.01912    0.01070
 15 O    -0.00136    0.00949    0.00317
 16 O     0.00136    0.00949    0.00317
 17 O    -0.00000    0.01570   -1.16645
 18 O    -0.00000    0.00804    0.02869
 19 Pt    0.00000   -0.01814    0.14313
 20 Pt    0.00000   -0.01847    0.22670
 21 O    -0.21730    0.39712    0.23441
 22 O     0.21730    0.39712    0.23441
 23 O     0.00000   -0.01972   -0.08521
 24 O     0.00000   -0.00139    1.14971
 25 Pt   -0.00000    0.01782   -0.37586
 26 Pt    0.00000   -0.00024   -0.43426
 27 O    -1.69148    0.01328   -0.71788
 28 O     1.69148    0.01328   -0.71788
 29 O    -0.00000    0.04584   -1.38725
 30 O     0.00000   -0.00466    1.83587
 31 Pt   -0.00000    0.01977    0.51105
 32 Pt    0.00000   -0.14115    0.57785
 33 O    -1.61518   -0.01914    0.07072
 34 O     1.61518   -0.01914    0.07072
 35 O     0.00000   -0.03232   -0.52402
 36 O    -0.00000    0.22752   -0.11831
 37 Pt    0.00000   -0.38101   -0.03838
 38 Pt    0.00000   -0.00528   -0.01009
 39 O     0.00888    0.01191    0.01513
 40 O    -0.00888    0.01191    0.01513
 41 O    -0.00000    0.00336    0.16681
 42 O    -0.00000    0.03451   -0.01980
 43 Pt    0.00000   -0.02233    0.03105
 44 Pt    0.00000   -0.10282   -0.09537
 45 O    -0.12135   -0.47436    0.00952
 46 O     0.12135   -0.47436    0.00952
 47 O     0.00000   -0.02229   -0.05893
 48 O    -0.00000    0.02243    1.17173
 49 Pt    0.00000   -0.02267   -0.37435
 50 Pt   -0.00000    0.02106   -0.43439
 51 O    -1.69065   -0.01393   -0.71817
 52 O     1.69065   -0.01393   -0.71817
 53 O     0.00000   -0.00913   -1.40485
 54 O     0.00000   -0.00208    1.77691
 55 Pt    0.00000   -0.01238    0.51753
 56 Pt   -0.00000    0.11566    0.64984
 57 O    -1.61456    0.01396    0.09126
 58 O     1.61456    0.01396    0.09126
 59 O     0.00000   -0.02132   -0.51530
 60 O     0.00000   -0.23670   -0.11169
 61 Pt   -0.00000    0.05556   -0.10135
 62 Pt   -0.00000    0.01726   -0.00629
 63 O    -0.01570   -0.00698    0.00314
 64 O     0.01570   -0.00698    0.00314
 65 O    -0.00000    0.00232    0.00113
 66 O     0.00000   -0.01826   -0.00261
 67 Pt   -0.00000    0.01692   -0.00227
 68 Pt   -0.00000    0.15257    0.02361
 69 O     0.01087    0.03706   -0.05013
 70 O    -0.01087    0.03706   -0.05013
 71 O    -0.00000    0.00938   -0.05075
 72 N     0.00000   -0.44076    0.37339
 73 N    -0.00000    0.41399    0.21742

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.067924   23.772245    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.969092   23.924564    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:02:14  -2.86   +inf  -414.018889    3      1      
iter:   2  14:04:41  -3.67  -3.42  -414.052849    3      1      
iter:   3  14:07:08  -4.12  -2.80  -414.013945    2      1      
iter:   4  14:09:34  -4.49  -3.58  -414.017744    3      1      
iter:   5  14:12:00  -4.28  -3.70  -414.014081    3      1      
iter:   6  14:14:26  -4.95  -4.05  -414.014538    2      1      
iter:   7  14:16:52  -5.48  -4.31  -414.014657    2      1      
iter:   8  14:19:19  -5.56  -4.37  -414.016083    2      1      
iter:   9  14:21:45  -5.60  -3.54  -414.014963    2      1      
iter:  10  14:24:11  -5.91  -4.28  -414.014450    2      1      
iter:  11  14:26:38  -6.37  -4.78  -414.014754    2      1      
iter:  12  14:29:05  -6.80  -4.80  -414.014599    2      1      
iter:  13  14:31:31  -7.18  -5.05  -414.014624    2      1      
iter:  14  14:33:57  -7.19  -5.21  -414.014605    2      1      
iter:  15  14:36:24  -7.67  -4.78  -414.014620    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962348, -32.504812, 0.035327) |e|*Ang

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

Kinetic:        +18.846294
Potential:     -137.214612
External:        +0.000000
XC:            -305.360754
Entropy (-ST):   -1.564726
Local:          +10.496815
--------------------------
Free energy:   -414.796983
Extrapolated:  -414.014620

Fermi level: -6.50506

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56749    0.14471
  0   340     -6.55886    0.14030
  0   341     -6.55791    0.13981
  0   342     -6.52463    0.12195

  1   339     -6.47992    0.19444
  1   340     -6.43136    0.14386
  1   341     -6.40004    0.11520
  1   342     -6.38312    0.10135



Forces in eV/Ang:
  0 O     0.00000   -0.01708    1.17380
  1 Pt    0.00000   -0.00335   -0.37348
  2 Pt    0.00000   -0.01891   -0.43369
  3 O    -1.68445    0.00028   -0.71863
  4 O     1.68445    0.00028   -0.71863
  5 O     0.00000   -0.01359   -1.38327
  6 O     0.00000   -0.00243    1.76232
  7 Pt   -0.00000    0.01373    0.44925
  8 Pt    0.00000   -0.03412    0.74277
  9 O    -1.58094    0.00058    0.05204
 10 O     1.58094    0.00058    0.05204
 11 O     0.00000   -0.00894   -0.56543
 12 O    -0.00000    0.02416    0.15282
 13 Pt   -0.00000    0.30813   -0.03386
 14 Pt    0.00000   -0.01927    0.00902
 15 O    -0.00096    0.00950    0.00285
 16 O     0.00096    0.00950    0.00285
 17 O    -0.00000    0.01589   -1.16750
 18 O    -0.00000    0.00772    0.02865
 19 Pt    0.00000   -0.01825    0.14319
 20 Pt    0.00000   -0.01899    0.22670
 21 O    -0.21696    0.39666    0.23354
 22 O     0.21696    0.39666    0.23354
 23 O     0.00000   -0.01946   -0.08458
 24 O     0.00000   -0.00136    1.14970
 25 Pt   -0.00000    0.01778   -0.37717
 26 Pt    0.00000   -0.00017   -0.43502
 27 O    -1.69321    0.01333   -0.71768
 28 O     1.69321    0.01333   -0.71768
 29 O    -0.00000    0.04585   -1.38657
 30 O     0.00000   -0.00467    1.82880
 31 Pt   -0.00000    0.01962    0.50836
 32 Pt    0.00000   -0.14128    0.57584
 33 O    -1.61499   -0.01922    0.07020
 34 O     1.61499   -0.01922    0.07020
 35 O     0.00000   -0.03236   -0.52537
 36 O    -0.00000    0.22703   -0.11788
 37 Pt    0.00000   -0.37756   -0.04029
 38 Pt    0.00000   -0.00526   -0.01088
 39 O     0.00939    0.01189    0.01489
 40 O    -0.00939    0.01189    0.01489
 41 O    -0.00000    0.00244    0.15262
 42 O    -0.00000    0.03475   -0.01945
 43 Pt    0.00000   -0.02146    0.03281
 44 Pt    0.00000   -0.10097   -0.09322
 45 O    -0.12268   -0.46970    0.01210
 46 O     0.12268   -0.46970    0.01210
 47 O     0.00000   -0.02241   -0.05853
 48 O    -0.00000    0.02240    1.17171
 49 Pt    0.00000   -0.02261   -0.37570
 50 Pt   -0.00000    0.02100   -0.43521
 51 O    -1.69241   -0.01393   -0.71797
 52 O     1.69241   -0.01393   -0.71797
 53 O     0.00000   -0.00929   -1.40435
 54 O     0.00000   -0.00215    1.76992
 55 Pt    0.00000   -0.01235    0.51465
 56 Pt   -0.00000    0.11608    0.64838
 57 O    -1.61438    0.01396    0.09076
 58 O     1.61438    0.01396    0.09076
 59 O     0.00000   -0.02132   -0.51649
 60 O     0.00000   -0.23458   -0.11233
 61 Pt   -0.00000    0.05298   -0.10222
 62 Pt   -0.00000    0.01741   -0.00752
 63 O    -0.01502   -0.00697    0.00312
 64 O     0.01502   -0.00697    0.00312
 65 O    -0.00000    0.00206   -0.00305
 66 O     0.00000   -0.01831   -0.00273
 67 Pt   -0.00000    0.01610   -0.00097
 68 Pt   -0.00000    0.15220    0.02418
 69 O     0.01040    0.03489   -0.05018
 70 O    -0.01040    0.03489   -0.05018
 71 O    -0.00000    0.00932   -0.05034
 72 N     0.00000   -0.42535    0.42341
 73 N    -0.00000    0.36081    0.22860

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.050890   23.785746    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.950340   23.924620    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:44:40  -2.81   +inf  -414.101825    3      1      
iter:   2  14:47:07  -2.94  -2.64  -416.297646    3      1      
iter:   3  14:49:33  -3.30  -1.95  -414.025555    3      1      
iter:   4  14:51:57  -3.96  -3.29  -414.023746    3      1      
iter:   5  14:54:24  -4.28  -3.68  -414.018125    3      1      
iter:   6  14:56:49  -4.40  -3.59  -414.018783    3      1      
iter:   7  14:59:15  -4.99  -3.85  -414.019178    3      1      
iter:   8  15:01:41  -5.29  -4.08  -414.019660    2      1      
iter:   9  15:04:06  -5.68  -4.29  -414.019771    2      1      
iter:  10  15:06:32  -5.89  -4.19  -414.019107    3      1      
iter:  11  15:08:59  -6.03  -4.32  -414.019767    2      1      
iter:  12  15:11:25  -6.41  -4.58  -414.019465    2      1      
iter:  13  15:13:52  -6.72  -4.64  -414.019574    2      1      
iter:  14  15:16:18  -7.17  -4.91  -414.019640    2      1      
iter:  15  15:18:44  -7.53  -4.84  -414.019613    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962351, -32.505540, 0.034606) |e|*Ang

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

Kinetic:        +18.798678
Potential:     -137.185326
External:        +0.000000
XC:            -305.345787
Entropy (-ST):   -1.564806
Local:          +10.495225
--------------------------
Free energy:   -414.802016
Extrapolated:  -414.019613

Fermi level: -6.50583

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56888    0.14502
  0   340     -6.55964    0.14031
  0   341     -6.55867    0.13980
  0   342     -6.52569    0.12211

  1   339     -6.48061    0.19435
  1   340     -6.43211    0.14383
  1   341     -6.40076    0.11516
  1   342     -6.38383    0.10131



Forces in eV/Ang:
  0 O     0.00000   -0.01708    1.17406
  1 Pt    0.00000   -0.00328   -0.37372
  2 Pt    0.00000   -0.01892   -0.43392
  3 O    -1.68503    0.00030   -0.71883
  4 O     1.68503    0.00030   -0.71883
  5 O     0.00000   -0.01354   -1.38295
  6 O     0.00000   -0.00247    1.76119
  7 Pt   -0.00000    0.01364    0.44872
  8 Pt    0.00000   -0.03446    0.74290
  9 O    -1.58082    0.00058    0.05170
 10 O     1.58082    0.00058    0.05170
 11 O     0.00000   -0.00898   -0.56503
 12 O    -0.00000    0.02391    0.15340
 13 Pt   -0.00000    0.30762   -0.03397
 14 Pt    0.00000   -0.01912    0.00928
 15 O    -0.00033    0.00942    0.00262
 16 O     0.00033    0.00942    0.00262
 17 O    -0.00000    0.01570   -1.16598
 18 O    -0.00000    0.00765    0.02911
 19 Pt    0.00000   -0.01844    0.14187
 20 Pt    0.00000   -0.01793    0.22271
 21 O    -0.21670    0.39593    0.23364
 22 O     0.21670    0.39593    0.23364
 23 O     0.00000   -0.01947   -0.08597
 24 O     0.00000   -0.00133    1.14992
 25 Pt   -0.00000    0.01767   -0.37745
 26 Pt    0.00000   -0.00018   -0.43526
 27 O    -1.69378    0.01331   -0.71791
 28 O     1.69378    0.01331   -0.71791
 29 O    -0.00000    0.04583   -1.38638
 30 O     0.00000   -0.00475    1.82786
 31 Pt   -0.00000    0.01971    0.50796
 32 Pt    0.00000   -0.14133    0.57586
 33 O    -1.61480   -0.01923    0.06997
 34 O     1.61480   -0.01923    0.06997
 35 O     0.00000   -0.03234   -0.52463
 36 O    -0.00000    0.22735   -0.11749
 37 Pt    0.00000   -0.37485   -0.04065
 38 Pt    0.00000   -0.00506   -0.01147
 39 O     0.00987    0.01198    0.01450
 40 O    -0.00987    0.01198    0.01450
 41 O    -0.00000    0.00147    0.14353
 42 O    -0.00000    0.03413   -0.01894
 43 Pt    0.00000   -0.02105    0.03423
 44 Pt    0.00000   -0.09993   -0.08127
 45 O    -0.12522   -0.46455    0.01732
 46 O     0.12522   -0.46455    0.01732
 47 O     0.00000   -0.02208   -0.05986
 48 O    -0.00000    0.02238    1.17193
 49 Pt    0.00000   -0.02256   -0.37605
 50 Pt   -0.00000    0.02101   -0.43546
 51 O    -1.69300   -0.01393   -0.71821
 52 O     1.69300   -0.01393   -0.71821
 53 O     0.00000   -0.00930   -1.40412
 54 O     0.00000   -0.00203    1.76899
 55 Pt    0.00000   -0.01236    0.51448
 56 Pt   -0.00000    0.11647    0.64864
 57 O    -1.61412    0.01396    0.09057
 58 O     1.61412    0.01396    0.09057
 59 O     0.00000   -0.02130   -0.51585
 60 O     0.00000   -0.23469   -0.11203
 61 Pt   -0.00000    0.05066   -0.10273
 62 Pt   -0.00000    0.01708   -0.00788
 63 O    -0.01482   -0.00698    0.00241
 64 O     0.01482   -0.00698    0.00241
 65 O    -0.00000    0.00221   -0.00400
 66 O     0.00000   -0.01770   -0.00212
 67 Pt   -0.00000    0.01570    0.00156
 68 Pt   -0.00000    0.15163    0.02345
 69 O     0.00803    0.03247   -0.04794
 70 O    -0.00803    0.03247   -0.04794
 71 O    -0.00000    0.00911   -0.05127
 72 N     0.00000   -0.36757    0.34478
 73 N    -0.00000    0.35186    0.25375

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.033000   23.799176    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.930879   23.924182    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:26:46  -2.77   +inf  -414.130489    3      1      
iter:   2  15:29:12  -2.84  -2.58  -416.973927    3      1      
iter:   3  15:31:40  -3.20  -1.90  -414.034886    3      1      
iter:   4  15:34:07  -3.83  -3.14  -414.027809    3      1      
iter:   5  15:36:34  -4.18  -3.63  -414.021399    3      1      
iter:   6  15:39:01  -4.35  -3.55  -414.022358    3      1      
iter:   7  15:41:27  -4.91  -3.80  -414.022499    3      1      
iter:   8  15:43:54  -5.20  -3.98  -414.023130    2      1      
iter:   9  15:46:20  -5.66  -4.32  -414.023148    2      1      
iter:  10  15:48:46  -5.85  -4.30  -414.022658    3      1      
iter:  11  15:51:13  -6.06  -4.38  -414.023224    2      1      
iter:  12  15:53:39  -6.43  -4.57  -414.022883    2      1      
iter:  13  15:56:06  -6.72  -4.62  -414.023031    2      1      
iter:  14  15:58:33  -7.20  -4.98  -414.023070    2      1      
iter:  15  16:01:00  -7.46  -4.62  -414.023065    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962372, -32.506289, 0.033304) |e|*Ang

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

Kinetic:        +18.768085
Potential:     -137.172981
External:        +0.000000
XC:            -305.333088
Entropy (-ST):   -1.564883
Local:          +10.497360
--------------------------
Free energy:   -414.805506
Extrapolated:  -414.023065

Fermi level: -6.50687

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57045    0.14529
  0   340     -6.56077    0.14035
  0   341     -6.55978    0.13984
  0   342     -6.52698    0.12224

  1   339     -6.48166    0.19435
  1   340     -6.43319    0.14386
  1   341     -6.40176    0.11511
  1   342     -6.38482    0.10126



Forces in eV/Ang:
  0 O     0.00000   -0.01708    1.17404
  1 Pt    0.00000   -0.00326   -0.37380
  2 Pt    0.00000   -0.01892   -0.43411
  3 O    -1.68466    0.00030   -0.71898
  4 O     1.68466    0.00030   -0.71898
  5 O     0.00000   -0.01345   -1.38301
  6 O     0.00000   -0.00247    1.76219
  7 Pt   -0.00000    0.01364    0.44902
  8 Pt    0.00000   -0.03477    0.74341
  9 O    -1.58074    0.00058    0.05160
 10 O     1.58074    0.00058    0.05160
 11 O     0.00000   -0.00898   -0.56480
 12 O    -0.00000    0.02283    0.15300
 13 Pt   -0.00000    0.30676   -0.03406
 14 Pt    0.00000   -0.01916    0.00959
 15 O    -0.00036    0.00944    0.00271
 16 O     0.00036    0.00944    0.00271
 17 O    -0.00000    0.01573   -1.16220
 18 O    -0.00000    0.00736    0.02898
 19 Pt    0.00000   -0.01853    0.14144
 20 Pt    0.00000   -0.01786    0.22063
 21 O    -0.21666    0.39561    0.23373
 22 O     0.21666    0.39561    0.23373
 23 O     0.00000   -0.01935   -0.08660
 24 O     0.00000   -0.00133    1.14991
 25 Pt   -0.00000    0.01761   -0.37752
 26 Pt    0.00000   -0.00017   -0.43540
 27 O    -1.69341    0.01332   -0.71807
 28 O     1.69341    0.01332   -0.71807
 29 O    -0.00000    0.04583   -1.38631
 30 O     0.00000   -0.00474    1.82881
 31 Pt   -0.00000    0.01970    0.50827
 32 Pt    0.00000   -0.14138    0.57581
 33 O    -1.61471   -0.01921    0.06994
 34 O     1.61471   -0.01921    0.06994
 35 O     0.00000   -0.03233   -0.52432
 36 O    -0.00000    0.22707   -0.11688
 37 Pt    0.00000   -0.37171   -0.04052
 38 Pt    0.00000   -0.00505   -0.01120
 39 O     0.00985    0.01195    0.01456
 40 O    -0.00985    0.01195    0.01456
 41 O     0.00000    0.00049    0.13447
 42 O    -0.00000    0.03394   -0.01874
 43 Pt    0.00000   -0.02045    0.03607
 44 Pt    0.00000   -0.09833   -0.07632
 45 O    -0.12778   -0.45958    0.02241
 46 O     0.12778   -0.45958    0.02241
 47 O     0.00000   -0.02195   -0.06057
 48 O    -0.00000    0.02237    1.17191
 49 Pt    0.00000   -0.02252   -0.37612
 50 Pt   -0.00000    0.02101   -0.43564
 51 O    -1.69263   -0.01393   -0.71837
 52 O     1.69263   -0.01393   -0.71837
 53 O     0.00000   -0.00941   -1.40413
 54 O     0.00000   -0.00202    1.76998
 55 Pt    0.00000   -0.01235    0.51477
 56 Pt   -0.00000    0.11684    0.64898
 57 O    -1.61403    0.01395    0.09055
 58 O     1.61403    0.01395    0.09055
 59 O     0.00000   -0.02130   -0.51554
 60 O     0.00000   -0.23329   -0.11210
 61 Pt   -0.00000    0.04822   -0.10208
 62 Pt   -0.00000    0.01713   -0.00762
 63 O    -0.01485   -0.00698    0.00235
 64 O     0.01485   -0.00698    0.00235
 65 O    -0.00000    0.00216   -0.00310
 66 O     0.00000   -0.01734   -0.00209
 67 Pt   -0.00000    0.01507    0.00368
 68 Pt   -0.00000    0.15132    0.02340
 69 O     0.00629    0.03002   -0.04632
 70 O    -0.00629    0.03002   -0.04632
 71 O    -0.00000    0.00896   -0.05178
 72 N     0.00000   -0.38749    0.30784
 73 N    -0.00000    0.40217    0.26762

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    4.014349   23.810543    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.910872   23.923030    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:08:52  -2.77   +inf  -414.097933    3      1      
iter:   2  16:11:17  -2.98  -2.67  -416.046874    3      1      
iter:   3  16:13:43  -3.32  -1.97  -414.032781    3      1      
iter:   4  16:16:10  -4.00  -3.36  -414.029571    3      1      
iter:   5  16:18:35  -4.13  -3.75  -414.022941    3      1      
iter:   6  16:21:02  -4.45  -3.65  -414.025967    3      1      
iter:   7  16:23:28  -5.01  -3.82  -414.025770    3      1      
iter:   8  16:25:54  -5.45  -4.14  -414.026368    2      1      
iter:   9  16:28:20  -5.81  -4.30  -414.026515    2      1      
iter:  10  16:30:47  -6.03  -4.04  -414.025780    3      1      
iter:  11  16:33:14  -5.97  -4.10  -414.026264    2      1      
iter:  12  16:35:40  -6.41  -4.57  -414.026164    2      1      
iter:  13  16:38:06  -6.64  -4.64  -414.026319    2      1      
iter:  14  16:40:32  -7.32  -5.02  -414.026316    2      1      
iter:  15  16:42:58  -7.67  -5.11  -414.026322    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962404, -32.506966, 0.031941) |e|*Ang

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

Kinetic:        +18.761584
Potential:     -137.181506
External:        +0.000000
XC:            -305.322559
Entropy (-ST):   -1.564992
Local:          +10.498655
--------------------------
Free energy:   -414.808818
Extrapolated:  -414.026322

Fermi level: -6.50791

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57204    0.14556
  0   340     -6.56187    0.14038
  0   341     -6.56086    0.13986
  0   342     -6.52826    0.12238

  1   339     -6.48270    0.19436
  1   340     -6.43422    0.14386
  1   341     -6.40278    0.11510
  1   342     -6.38582    0.10123



Forces in eV/Ang:
  0 O     0.00000   -0.01709    1.17401
  1 Pt    0.00000   -0.00324   -0.37348
  2 Pt    0.00000   -0.01892   -0.43372
  3 O    -1.68460    0.00030   -0.71888
  4 O     1.68460    0.00030   -0.71888
  5 O     0.00000   -0.01336   -1.38315
  6 O     0.00000   -0.00248    1.76261
  7 Pt   -0.00000    0.01365    0.44917
  8 Pt    0.00000   -0.03503    0.74368
  9 O    -1.58083    0.00057    0.05148
 10 O     1.58083    0.00057    0.05148
 11 O     0.00000   -0.00900   -0.56499
 12 O    -0.00000    0.02180    0.15257
 13 Pt   -0.00000    0.30592   -0.03459
 14 Pt    0.00000   -0.01919    0.00960
 15 O    -0.00052    0.00947    0.00282
 16 O     0.00052    0.00947    0.00282
 17 O    -0.00000    0.01586   -1.15847
 18 O    -0.00000    0.00708    0.02867
 19 Pt    0.00000   -0.01869    0.14122
 20 Pt    0.00000   -0.01845    0.21824
 21 O    -0.21652    0.39535    0.23303
 22 O     0.21652    0.39535    0.23303
 23 O     0.00000   -0.01925   -0.08686
 24 O     0.00000   -0.00133    1.14987
 25 Pt   -0.00000    0.01756   -0.37721
 26 Pt    0.00000   -0.00018   -0.43498
 27 O    -1.69334    0.01332   -0.71798
 28 O     1.69334    0.01332   -0.71798
 29 O    -0.00000    0.04586   -1.38629
 30 O     0.00000   -0.00474    1.82918
 31 Pt   -0.00000    0.01967    0.50839
 32 Pt    0.00000   -0.14143    0.57556
 33 O    -1.61478   -0.01920    0.06985
 34 O     1.61478   -0.01920    0.06985
 35 O     0.00000   -0.03233   -0.52451
 36 O    -0.00000    0.22671   -0.11631
 37 Pt    0.00000   -0.36893   -0.04067
 38 Pt    0.00000   -0.00499   -0.01102
 39 O     0.00975    0.01190    0.01466
 40 O    -0.00975    0.01190    0.01466
 41 O     0.00000   -0.00034    0.12587
 42 O    -0.00000    0.03392   -0.01875
 43 Pt    0.00000   -0.01985    0.03746
 44 Pt    0.00000   -0.09697   -0.07356
 45 O    -0.12950   -0.45521    0.02490
 46 O     0.12950   -0.45521    0.02490
 47 O     0.00000   -0.02192   -0.06065
 48 O    -0.00000    0.02237    1.17188
 49 Pt    0.00000   -0.02249   -0.37581
 50 Pt   -0.00000    0.02102   -0.43525
 51 O    -1.69256   -0.01394   -0.71828
 52 O     1.69256   -0.01394   -0.71828
 53 O     0.00000   -0.00952   -1.40419
 54 O     0.00000   -0.00202    1.77043
 55 Pt    0.00000   -0.01234    0.51487
 56 Pt   -0.00000    0.11717    0.64910
 57 O    -1.61412    0.01395    0.09047
 58 O     1.61412    0.01395    0.09047
 59 O     0.00000   -0.02128   -0.51576
 60 O     0.00000   -0.23182   -0.11217
 61 Pt   -0.00000    0.04604   -0.10182
 62 Pt   -0.00000    0.01713   -0.00747
 63 O    -0.01497   -0.00697    0.00247
 64 O     0.01497   -0.00697    0.00247
 65 O    -0.00000    0.00207   -0.00280
 66 O     0.00000   -0.01718   -0.00231
 67 Pt   -0.00000    0.01458    0.00541
 68 Pt   -0.00000    0.15105    0.02372
 69 O     0.00517    0.02796   -0.04551
 70 O    -0.00517    0.02796   -0.04551
 71 O    -0.00000    0.00890   -0.05191
 72 N     0.00000   -0.45705    0.34642
 73 N    -0.00000    0.36304    0.18428

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.993789   23.826027    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.889287   23.920287    ( 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  16:58:29  -2.64   +inf  -414.110009    3      1      
iter:   2  17:00:55  -2.92  -2.65  -416.184625    3      1      
iter:   3  17:03:21  -3.29  -1.96  -414.036532    3      1      
iter:   4  17:05:46  -3.95  -3.32  -414.036057    3      1      
iter:   5  17:08:12  -4.22  -3.65  -414.029789    3      1      
iter:   6  17:10:39  -4.31  -3.53  -414.030441    3      1      
iter:   7  17:13:05  -4.95  -3.80  -414.030914    3      1      
iter:   8  17:15:32  -5.23  -4.10  -414.031429    2      1      
iter:   9  17:17:57  -5.58  -4.09  -414.031617    2      1      
iter:  10  17:20:25  -5.72  -4.11  -414.031112    3      1      
iter:  11  17:22:51  -5.82  -4.31  -414.031702    2      1      
iter:  12  17:25:17  -6.33  -4.49  -414.031298    2      1      
iter:  13  17:27:43  -6.71  -4.60  -414.031449    2      1      
iter:  14  17:30:09  -7.00  -4.94  -414.031482    2      1      
iter:  15  17:32:36  -7.14  -4.93  -414.031446    2      1      
iter:  16  17:35:02  -7.28  -4.66  -414.031464    2      1      
iter:  17  17:37:29  -7.60  -4.63  -414.031388    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962478, -32.508146, 0.029769) |e|*Ang

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

Kinetic:        +18.843928
Potential:     -137.259660
External:        +0.000000
XC:            -305.331928
Entropy (-ST):   -1.565144
Local:          +10.498844
--------------------------
Free energy:   -414.813960
Extrapolated:  -414.031388

Fermi level: -6.50914

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57363    0.14575
  0   340     -6.56337    0.14052
  0   341     -6.56238    0.14001
  0   342     -6.52965    0.12246

  1   339     -6.48413    0.19458
  1   340     -6.43560    0.14400
  1   341     -6.40398    0.11507
  1   342     -6.38697    0.10117



Forces in eV/Ang:
  0 O     0.00000   -0.01709    1.17356
  1 Pt    0.00000   -0.00322   -0.37294
  2 Pt    0.00000   -0.01894   -0.43363
  3 O    -1.68302    0.00030   -0.71890
  4 O     1.68302    0.00030   -0.71890
  5 O     0.00000   -0.01324   -1.38395
  6 O     0.00000   -0.00249    1.76835
  7 Pt   -0.00000    0.01367    0.45119
  8 Pt    0.00000   -0.03537    0.74525
  9 O    -1.58083    0.00054    0.05204
 10 O     1.58083    0.00054    0.05204
 11 O     0.00000   -0.00900   -0.56551
 12 O    -0.00000    0.02022    0.15111
 13 Pt   -0.00000    0.30472   -0.03486
 14 Pt    0.00000   -0.01919    0.00983
 15 O    -0.00122    0.00950    0.00278
 16 O     0.00122    0.00950    0.00278
 17 O    -0.00000    0.01603   -1.15045
 18 O    -0.00000    0.00690    0.02753
 19 Pt    0.00000   -0.01869    0.14308
 20 Pt    0.00000   -0.01961    0.21777
 21 O    -0.21684    0.39538    0.23343
 22 O     0.21684    0.39538    0.23343
 23 O     0.00000   -0.01897   -0.08572
 24 O     0.00000   -0.00133    1.14944
 25 Pt   -0.00000    0.01753   -0.37662
 26 Pt    0.00000   -0.00019   -0.43483
 27 O    -1.69175    0.01333   -0.71800
 28 O     1.69175    0.01333   -0.71800
 29 O    -0.00000    0.04589   -1.38677
 30 O     0.00000   -0.00473    1.83490
 31 Pt   -0.00000    0.01961    0.51038
 32 Pt    0.00000   -0.14150    0.57636
 33 O    -1.61477   -0.01915    0.07045
 34 O     1.61477   -0.01915    0.07045
 35 O     0.00000   -0.03237   -0.52508
 36 O    -0.00000    0.22594   -0.11618
 37 Pt    0.00000   -0.36498   -0.04001
 38 Pt    0.00000   -0.00494   -0.01017
 39 O     0.00921    0.01189    0.01480
 40 O    -0.00921    0.01189    0.01480
 41 O     0.00000   -0.00139    0.11828
 42 O    -0.00000    0.03394   -0.01994
 43 Pt    0.00000   -0.01945    0.04114
 44 Pt    0.00000   -0.09413   -0.07032
 45 O    -0.13186   -0.44998    0.02810
 46 O     0.13186   -0.44998    0.02810
 47 O     0.00000   -0.02254   -0.05918
 48 O    -0.00000    0.02237    1.17143
 49 Pt    0.00000   -0.02247   -0.37521
 50 Pt   -0.00000    0.02104   -0.43515
 51 O    -1.69095   -0.01394   -0.71831
 52 O     1.69095   -0.01394   -0.71831
 53 O     0.00000   -0.00967   -1.40480
 54 O     0.00000   -0.00201    1.77620
 55 Pt    0.00000   -0.01232    0.51681
 56 Pt   -0.00000    0.11759    0.65036
 57 O    -1.61416    0.01393    0.09108
 58 O     1.61416    0.01393    0.09108
 59 O     0.00000   -0.02124   -0.51637
 60 O     0.00000   -0.22938   -0.11284
 61 Pt   -0.00000    0.04320   -0.10036
 62 Pt   -0.00000    0.01711   -0.00679
 63 O    -0.01550   -0.00702    0.00276
 64 O     0.01550   -0.00702    0.00276
 65 O    -0.00000    0.00156    0.00076
 66 O     0.00000   -0.01717   -0.00361
 67 Pt   -0.00000    0.01410    0.00804
 68 Pt   -0.00000    0.15141    0.02627
 69 O     0.00387    0.02568   -0.04477
 70 O    -0.00387    0.02568   -0.04477
 71 O    -0.00000    0.00933   -0.05091
 72 N     0.00000   -0.31522    0.35287
 73 N    -0.00000    0.29107    0.24354

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.973417   23.841011    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.867177   23.917606    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:42:49  -2.67   +inf  -414.039588    3      1      
iter:   2  17:45:16  -3.47  -3.35  -414.102173    3      1      
iter:   3  17:47:42  -3.93  -2.68  -414.035622    2      1      
iter:   4  17:50:09  -4.19  -3.71  -414.040597    3      1      
iter:   5  17:52:35  -4.12  -3.52  -414.034768    3      1      
iter:   6  17:55:01  -4.90  -4.01  -414.035524    2      1      
iter:   7  17:57:27  -5.40  -4.32  -414.035547    2      1      
iter:   8  17:59:53  -5.36  -4.28  -414.036000    2      1      
iter:   9  18:02:20  -5.54  -3.70  -414.035926    2      1      
iter:  10  18:04:47  -6.03  -4.03  -414.035565    2      1      
iter:  11  18:07:13  -6.54  -4.87  -414.035651    2      1      
iter:  12  18:09:39  -6.88  -4.85  -414.035426    2      1      
iter:  13  18:12:05  -7.24  -4.88  -414.035570    2      1      
iter:  14  18:14:31  -7.48  -5.17  -414.035555    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962464, -32.509253, 0.028444) |e|*Ang

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

Kinetic:        +18.780297
Potential:     -137.223979
External:        +0.000000
XC:            -305.308671
Entropy (-ST):   -1.565166
Local:          +10.499382
--------------------------
Free energy:   -414.818138
Extrapolated:  -414.035555

Fermi level: -6.51006

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57506    0.14600
  0   340     -6.56440    0.14058
  0   341     -6.56341    0.14007
  0   342     -6.53077    0.12257

  1   339     -6.48506    0.19459
  1   340     -6.43659    0.14407
  1   341     -6.40483    0.11502
  1   342     -6.38782    0.10112



Forces in eV/Ang:
  0 O     0.00000   -0.01710    1.17355
  1 Pt    0.00000   -0.00318   -0.37294
  2 Pt    0.00000   -0.01896   -0.43326
  3 O    -1.68239    0.00032   -0.71868
  4 O     1.68239    0.00032   -0.71868
  5 O     0.00000   -0.01311   -1.38410
  6 O     0.00000   -0.00245    1.76996
  7 Pt   -0.00000    0.01373    0.45194
  8 Pt    0.00000   -0.03564    0.74613
  9 O    -1.58073    0.00054    0.05228
 10 O     1.58073    0.00054    0.05228
 11 O     0.00000   -0.00898   -0.56521
 12 O    -0.00000    0.01886    0.15028
 13 Pt   -0.00000    0.30323   -0.03492
 14 Pt    0.00000   -0.01925    0.01012
 15 O    -0.00161    0.00958    0.00314
 16 O     0.00161    0.00958    0.00314
 17 O    -0.00000    0.01586   -1.14319
 18 O    -0.00000    0.00671    0.02713
 19 Pt    0.00000   -0.01884    0.14198
 20 Pt    0.00000   -0.01915    0.21544
 21 O    -0.21711    0.39512    0.23163
 22 O     0.21711    0.39512    0.23163
 23 O     0.00000   -0.01920   -0.08727
 24 O     0.00000   -0.00136    1.14944
 25 Pt   -0.00000    0.01745   -0.37658
 26 Pt    0.00000   -0.00024   -0.43430
 27 O    -1.69109    0.01329   -0.71778
 28 O     1.69109    0.01329   -0.71778
 29 O    -0.00000    0.04597   -1.38660
 30 O     0.00000   -0.00460    1.83670
 31 Pt   -0.00000    0.01954    0.51107
 32 Pt    0.00000   -0.14149    0.57645
 33 O    -1.61466   -0.01913    0.07072
 34 O     1.61466   -0.01913    0.07072
 35 O     0.00000   -0.03232   -0.52498
 36 O    -0.00000    0.22521   -0.11524
 37 Pt    0.00000   -0.36107   -0.03957
 38 Pt    0.00000   -0.00510   -0.00946
 39 O     0.00888    0.01180    0.01528
 40 O    -0.00888    0.01180    0.01528
 41 O     0.00000   -0.00233    0.11066
 42 O    -0.00000    0.03389   -0.01979
 43 Pt    0.00000   -0.01874    0.04163
 44 Pt    0.00000   -0.09251   -0.06674
 45 O    -0.13393   -0.44492    0.03007
 46 O     0.13393   -0.44492    0.03007
 47 O     0.00000   -0.02194   -0.06078
 48 O    -0.00000    0.02240    1.17143
 49 Pt    0.00000   -0.02244   -0.37509
 50 Pt   -0.00000    0.02111   -0.43469
 51 O    -1.69026   -0.01393   -0.71807
 52 O     1.69026   -0.01393   -0.71807
 53 O     0.00000   -0.00988   -1.40476
 54 O     0.00000   -0.00218    1.77794
 55 Pt    0.00000   -0.01231    0.51739
 56 Pt   -0.00000    0.11786    0.65088
 57 O    -1.61412    0.01391    0.09136
 58 O     1.61412    0.01391    0.09136
 59 O     0.00000   -0.02132   -0.51617
 60 O     0.00000   -0.22722   -0.11280
 61 Pt   -0.00000    0.04061   -0.09902
 62 Pt   -0.00000    0.01736   -0.00630
 63 O    -0.01559   -0.00703    0.00325
 64 O     0.01559   -0.00703    0.00325
 65 O    -0.00000    0.00145    0.00371
 66 O     0.00000   -0.01710   -0.00378
 67 Pt   -0.00000    0.01340    0.00934
 68 Pt   -0.00000    0.15107    0.02523
 69 O     0.00236    0.02353   -0.04507
 70 O    -0.00236    0.02353   -0.04507
 71 O    -0.00000    0.00910   -0.05220
 72 N     0.00000   -0.36884    0.35748
 73 N    -0.00000    0.38175    0.23590

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.952530   23.855714    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.845431   23.914406    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:29:48  -2.67   +inf  -414.058278    3      1      
iter:   2  18:32:14  -3.29  -2.96  -414.554298    3      1      
iter:   3  18:34:41  -3.70  -2.25  -414.040563    3      1      
iter:   4  18:37:07  -4.16  -3.51  -414.043422    3      1      
iter:   5  18:39:33  -4.17  -3.71  -414.038357    3      1      
iter:   6  18:41:59  -4.38  -3.53  -414.039938    3      1      
iter:   7  18:44:26  -5.25  -3.98  -414.040012    2      1      
iter:   8  18:46:52  -5.62  -4.28  -414.040162    3      1      
iter:   9  18:49:19  -5.59  -4.01  -414.041043    2      1      
iter:  10  18:51:45  -5.68  -3.68  -414.039945    3      1      
iter:  11  18:54:12  -6.40  -4.47  -414.040381    2      1      
iter:  12  18:56:38  -6.95  -4.42  -414.040090    2      1      
iter:  13  18:59:05  -7.11  -4.85  -414.040135    2      1      
iter:  14  19:01:31  -7.11  -5.01  -414.040095    2      1      
iter:  15  19:03:58  -7.27  -4.93  -414.040046    2      1      
iter:  16  19:06:24  -7.80  -4.98  -414.040103    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962493, -32.510481, 0.028219) |e|*Ang

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

Kinetic:        +18.767659
Potential:     -137.219640
External:        +0.000000
XC:            -305.304069
Entropy (-ST):   -1.565241
Local:          +10.498568
--------------------------
Free energy:   -414.822724
Extrapolated:  -414.040103

Fermi level: -6.51087

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57677    0.14645
  0   340     -6.56498    0.14046
  0   341     -6.56392    0.13991
  0   342     -6.53198    0.12279

  1   339     -6.48567    0.19437
  1   340     -6.43720    0.14387
  1   341     -6.40554    0.11493
  1   342     -6.38868    0.10116



Forces in eV/Ang:
  0 O     0.00000   -0.01711    1.17360
  1 Pt    0.00000   -0.00319   -0.37357
  2 Pt    0.00000   -0.01895   -0.43386
  3 O    -1.68415    0.00030   -0.71864
  4 O     1.68415    0.00030   -0.71864
  5 O     0.00000   -0.01302   -1.38380
  6 O     0.00000   -0.00245    1.76378
  7 Pt   -0.00000    0.01373    0.44993
  8 Pt    0.00000   -0.03592    0.74510
  9 O    -1.58079    0.00055    0.05195
 10 O     1.58079    0.00055    0.05195
 11 O     0.00000   -0.00896   -0.56552
 12 O    -0.00000    0.01798    0.14992
 13 Pt   -0.00000    0.30220   -0.03699
 14 Pt    0.00000   -0.01935    0.00901
 15 O    -0.00122    0.00960    0.00297
 16 O     0.00122    0.00960    0.00297
 17 O    -0.00000    0.01565   -1.14244
 18 O    -0.00000    0.00628    0.02764
 19 Pt    0.00000   -0.01901    0.14192
 20 Pt    0.00000   -0.01907    0.21451
 21 O    -0.21614    0.39425    0.23197
 22 O     0.21614    0.39425    0.23197
 23 O     0.00000   -0.01887   -0.08669
 24 O     0.00000   -0.00133    1.14952
 25 Pt   -0.00000    0.01744   -0.37719
 26 Pt    0.00000   -0.00020   -0.43489
 27 O    -1.69285    0.01332   -0.71775
 28 O     1.69285    0.01332   -0.71775
 29 O    -0.00000    0.04597   -1.38631
 30 O     0.00000   -0.00463    1.83026
 31 Pt   -0.00000    0.01950    0.50902
 32 Pt    0.00000   -0.14163    0.57488
 33 O    -1.61471   -0.01913    0.07044
 34 O     1.61471   -0.01913    0.07044
 35 O     0.00000   -0.03234   -0.52528
 36 O    -0.00000    0.22481   -0.11482
 37 Pt    0.00000   -0.35788   -0.04128
 38 Pt    0.00000   -0.00501   -0.01051
 39 O     0.00933    0.01175    0.01499
 40 O    -0.00933    0.01175    0.01499
 41 O     0.00000   -0.00330    0.09731
 42 O    -0.00000    0.03380   -0.01892
 43 Pt    0.00000   -0.01812    0.04383
 44 Pt    0.00000   -0.09028   -0.06154
 45 O    -0.13526   -0.43936    0.03485
 46 O     0.13526   -0.43936    0.03485
 47 O     0.00000   -0.02216   -0.05998
 48 O    -0.00000    0.02237    1.17150
 49 Pt    0.00000   -0.02242   -0.37574
 50 Pt   -0.00000    0.02107   -0.43533
 51 O    -1.69204   -0.01394   -0.71805
 52 O     1.69204   -0.01394   -0.71805
 53 O     0.00000   -0.00996   -1.40449
 54 O     0.00000   -0.00216    1.77162
 55 Pt    0.00000   -0.01227    0.51527
 56 Pt   -0.00000    0.11829    0.64966
 57 O    -1.61415    0.01390    0.09108
 58 O     1.61415    0.01390    0.09108
 59 O     0.00000   -0.02130   -0.51645
 60 O     0.00000   -0.22587   -0.11286
 61 Pt   -0.00000    0.03829   -0.10018
 62 Pt   -0.00000    0.01738   -0.00734
 63 O    -0.01521   -0.00699    0.00302
 64 O     0.01521   -0.00699    0.00302
 65 O    -0.00000    0.00147   -0.00106
 66 O     0.00000   -0.01669   -0.00321
 67 Pt   -0.00000    0.01283    0.01139
 68 Pt   -0.00000    0.15062    0.02640
 69 O     0.00172    0.02137   -0.04354
 70 O    -0.00172    0.02137   -0.04354
 71 O    -0.00000    0.00903   -0.05161
 72 N     0.00000   -0.31511    0.35334
 73 N    -0.00000    0.30175    0.24207

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.929515   23.871998    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.820235   23.908926    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:11:55  -2.57   +inf  -414.064822    3      1      
iter:   2  19:14:21  -3.20  -2.92  -414.640373    2      1      
iter:   3  19:16:48  -3.60  -2.21  -414.048409    3      1      
iter:   4  19:19:15  -4.03  -3.67  -414.042982    3      1      
iter:   5  19:21:42  -4.15  -3.56  -414.047089    3      1      
iter:   6  19:24:08  -4.35  -3.64  -414.043595    3      1      
iter:   7  19:26:35  -5.34  -4.11  -414.044036    2      1      
iter:   8  19:29:02  -5.66  -4.31  -414.044135    2      1      
iter:   9  19:31:28  -5.86  -3.78  -414.043992    2      1      
iter:  10  19:33:55  -5.67  -3.95  -414.045122    3      1      
iter:  11  19:36:21  -5.83  -4.08  -414.043986    3      1      
iter:  12  19:38:48  -6.47  -4.76  -414.044052    2      1      
iter:  13  19:41:14  -6.89  -4.88  -414.044012    2      1      
iter:  14  19:43:40  -7.22  -4.95  -414.044074    2      1      
iter:  15  19:46:06  -7.63  -4.75  -414.044072    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962512, -32.512089, 0.027456) |e|*Ang

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

Kinetic:        +18.525813
Potential:     -137.030717
External:        +0.000000
XC:            -305.252051
Entropy (-ST):   -1.565323
Local:          +10.495545
--------------------------
Free energy:   -414.826734
Extrapolated:  -414.044072

Fermi level: -6.51155

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57814    0.14680
  0   340     -6.56569    0.14048
  0   341     -6.56461    0.13992
  0   342     -6.53293    0.12294

  1   339     -6.48633    0.19434
  1   340     -6.43788    0.14387
  1   341     -6.40618    0.11489
  1   342     -6.38942    0.10121



Forces in eV/Ang:
  0 O     0.00000   -0.01711    1.17387
  1 Pt    0.00000   -0.00314   -0.37323
  2 Pt    0.00000   -0.01896   -0.43366
  3 O    -1.68427    0.00028   -0.71857
  4 O     1.68427    0.00028   -0.71857
  5 O     0.00000   -0.01294   -1.38329
  6 O     0.00000   -0.00244    1.76456
  7 Pt   -0.00000    0.01380    0.45080
  8 Pt    0.00000   -0.03622    0.74602
  9 O    -1.58078    0.00064    0.05194
 10 O     1.58078    0.00064    0.05194
 11 O     0.00000   -0.00899   -0.56519
 12 O    -0.00000    0.01732    0.14952
 13 Pt   -0.00000    0.30053   -0.03712
 14 Pt    0.00000   -0.01931    0.00876
 15 O    -0.00122    0.00956    0.00281
 16 O     0.00122    0.00956    0.00281
 17 O    -0.00000    0.01508   -1.13668
 18 O    -0.00000    0.00635    0.02722
 19 Pt    0.00000   -0.01944    0.13995
 20 Pt    0.00000   -0.01601    0.21161
 21 O    -0.21587    0.39308    0.23066
 22 O     0.21587    0.39308    0.23066
 23 O     0.00000   -0.01874   -0.08760
 24 O     0.00000   -0.00129    1.14979
 25 Pt   -0.00000    0.01737   -0.37685
 26 Pt    0.00000   -0.00017   -0.43472
 27 O    -1.69296    0.01335   -0.71767
 28 O     1.69296    0.01335   -0.71767
 29 O    -0.00000    0.04600   -1.38577
 30 O     0.00000   -0.00467    1.83075
 31 Pt   -0.00000    0.01940    0.50988
 32 Pt    0.00000   -0.14186    0.57521
 33 O    -1.61466   -0.01923    0.07047
 34 O     1.61466   -0.01923    0.07047
 35 O     0.00000   -0.03236   -0.52486
 36 O    -0.00000    0.22442   -0.11432
 37 Pt    0.00000   -0.35371   -0.04113
 38 Pt    0.00000   -0.00491   -0.01059
 39 O     0.00931    0.01177    0.01483
 40 O    -0.00931    0.01177    0.01483
 41 O     0.00000   -0.00395    0.08899
 42 O    -0.00000    0.03342   -0.01912
 43 Pt    0.00000   -0.01752    0.04467
 44 Pt    0.00000   -0.09050   -0.05038
 45 O    -0.13731   -0.43340    0.03784
 46 O     0.13731   -0.43340    0.03784
 47 O     0.00000   -0.02172   -0.06094
 48 O    -0.00000    0.02233    1.17177
 49 Pt    0.00000   -0.02239   -0.37547
 50 Pt   -0.00000    0.02104   -0.43519
 51 O    -1.69218   -0.01394   -0.71797
 52 O     1.69218   -0.01394   -0.71797
 53 O     0.00000   -0.01008   -1.40398
 54 O     0.00000   -0.00214    1.77215
 55 Pt    0.00000   -0.01226    0.51615
 56 Pt   -0.00000    0.11883    0.65039
 57 O    -1.61403    0.01392    0.09117
 58 O     1.61403    0.01392    0.09117
 59 O     0.00000   -0.02124   -0.51604
 60 O     0.00000   -0.22480   -0.11267
 61 Pt   -0.00000    0.03571   -0.09949
 62 Pt   -0.00000    0.01727   -0.00750
 63 O    -0.01519   -0.00698    0.00272
 64 O     0.01519   -0.00698    0.00272
 65 O    -0.00000    0.00131   -0.00120
 66 O     0.00000   -0.01653   -0.00341
 67 Pt   -0.00000    0.01244    0.01270
 68 Pt   -0.00000    0.15024    0.02426
 69 O     0.00024    0.01943   -0.04275
 70 O    -0.00024    0.01943   -0.04275
 71 O    -0.00000    0.00861   -0.05255
 72 N     0.00000   -0.59155    0.27357
 73 N    -0.00000    0.54518    0.28395

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.904687   23.886595    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.795184   23.903551    ( 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  20:06:30  -2.56   +inf  -414.095397    3      1      
iter:   2  20:08:56  -3.06  -2.77  -415.317661    3      1      
iter:   3  20:11:22  -3.44  -2.06  -414.050769    3      1      
iter:   4  20:13:48  -4.05  -3.53  -414.052019    3      1      
iter:   5  20:16:13  -4.14  -3.71  -414.044746    3      1      
iter:   6  20:18:39  -4.25  -3.46  -414.046803    3      1      
iter:   7  20:21:05  -5.13  -3.86  -414.047565    3      1      
iter:   8  20:23:31  -5.40  -4.26  -414.047867    2      1      
iter:   9  20:25:58  -5.76  -3.71  -414.048082    2      1      
iter:  10  20:28:24  -5.67  -3.92  -414.048835    2      1      
iter:  11  20:30:50  -5.81  -4.06  -414.046952    3      1      
iter:  12  20:33:17  -5.90  -4.07  -414.048133    2      1      
iter:  13  20:35:42  -6.09  -4.39  -414.047839    2      1      
iter:  14  20:38:08  -6.75  -4.79  -414.047800    2      1      
iter:  15  20:40:34  -6.94  -4.78  -414.047744    2      1      
iter:  16  20:43:01  -7.17  -4.40  -414.047722    2      1      
iter:  17  20:45:27  -7.18  -5.01  -414.047731    2      1      
iter:  18  20:47:53  -7.68  -5.17  -414.047730    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962552, -32.513931, 0.026730) |e|*Ang

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

Kinetic:        +18.534545
Potential:     -137.039093
External:        +0.000000
XC:            -305.254198
Entropy (-ST):   -1.565413
Local:          +10.493723
--------------------------
Free energy:   -414.830436
Extrapolated:  -414.047730

Fermi level: -6.51176

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57878    0.14701
  0   340     -6.56609    0.14057
  0   341     -6.56501    0.14001
  0   342     -6.53328    0.12302

  1   339     -6.48666    0.19447
  1   340     -6.43817    0.14396
  1   341     -6.40634    0.11485
  1   342     -6.38987    0.10139



Forces in eV/Ang:
  0 O     0.00000   -0.01709    1.17361
  1 Pt    0.00000   -0.00310   -0.37322
  2 Pt    0.00000   -0.01894   -0.43347
  3 O    -1.68314    0.00028   -0.71873
  4 O     1.68314    0.00028   -0.71873
  5 O     0.00000   -0.01287   -1.38419
  6 O     0.00000   -0.00257    1.76768
  7 Pt   -0.00000    0.01371    0.45128
  8 Pt    0.00000   -0.03652    0.74650
  9 O    -1.58084    0.00053    0.05190
 10 O     1.58084    0.00053    0.05190
 11 O     0.00000   -0.00900   -0.56568
 12 O    -0.00000    0.01640    0.14906
 13 Pt   -0.00000    0.29944   -0.03715
 14 Pt    0.00000   -0.01918    0.00942
 15 O    -0.00144    0.00961    0.00290
 16 O     0.00144    0.00961    0.00290
 17 O    -0.00000    0.01491   -1.12844
 18 O    -0.00000    0.00571    0.02705
 19 Pt    0.00000   -0.01897    0.14093
 20 Pt    0.00000   -0.01760    0.20900
 21 O    -0.21550    0.39290    0.23132
 22 O     0.21550    0.39290    0.23132
 23 O     0.00000   -0.01863   -0.08712
 24 O     0.00000   -0.00130    1.14950
 25 Pt   -0.00000    0.01730   -0.37688
 26 Pt    0.00000   -0.00019   -0.43455
 27 O    -1.69186    0.01336   -0.71786
 28 O     1.69186    0.01336   -0.71786
 29 O    -0.00000    0.04600   -1.38659
 30 O     0.00000   -0.00476    1.83388
 31 Pt   -0.00000    0.01953    0.51053
 32 Pt    0.00000   -0.14197    0.57543
 33 O    -1.61466   -0.01909    0.07052
 34 O     1.61466   -0.01909    0.07052
 35 O     0.00000   -0.03237   -0.52489
 36 O    -0.00000    0.22389   -0.11431
 37 Pt    0.00000   -0.35085   -0.04097
 38 Pt    0.00000   -0.00468   -0.01043
 39 O     0.00892    0.01181    0.01486
 40 O    -0.00892    0.01181    0.01486
 41 O     0.00000   -0.00487    0.08107
 42 O    -0.00000    0.03364   -0.01929
 43 Pt    0.00000   -0.01738    0.04706
 44 Pt    0.00000   -0.08748   -0.04796
 45 O    -0.13857   -0.42812    0.04106
 46 O     0.13857   -0.42812    0.04106
 47 O     0.00000   -0.02213   -0.05950
 48 O    -0.00000    0.02232    1.17149
 49 Pt    0.00000   -0.02235   -0.37552
 50 Pt   -0.00000    0.02105   -0.43500
 51 O    -1.69108   -0.01396   -0.71818
 52 O     1.69108   -0.01396   -0.71818
 53 O     0.00000   -0.01015   -1.40479
 54 O     0.00000   -0.00192    1.77542
 55 Pt    0.00000   -0.01230    0.51693
 56 Pt   -0.00000    0.11926    0.65074
 57 O    -1.61406    0.01389    0.09126
 58 O     1.61406    0.01389    0.09126
 59 O     0.00000   -0.02121   -0.51634
 60 O     0.00000   -0.22324   -0.11296
 61 Pt   -0.00000    0.03369   -0.09899
 62 Pt   -0.00000    0.01695   -0.00709
 63 O    -0.01584   -0.00710    0.00276
 64 O     0.01584   -0.00710    0.00276
 65 O    -0.00000    0.00128    0.00094
 66 O     0.00000   -0.01625   -0.00376
 67 Pt   -0.00000    0.01181    0.01514
 68 Pt   -0.00000    0.15000    0.02649
 69 O    -0.00116    0.01738   -0.04155
 70 O     0.00116    0.01738   -0.04155
 71 O    -0.00000    0.00899   -0.05169
 72 N     0.00000   -0.52112    0.30486
 73 N    -0.00000    0.32957    0.28447

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.879500   23.903050    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.769431   23.898875    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:53:36  -2.55   +inf  -414.056967    3      1      
iter:   2  20:56:02  -3.42  -3.63  -414.053203    3      1      
iter:   3  20:58:28  -3.90  -3.52  -414.067750    3      1      
iter:   4  21:00:53  -4.07  -3.06  -414.065517    3      1      
iter:   5  21:03:19  -4.06  -3.13  -414.052557    3      1      
iter:   6  21:05:44  -4.86  -3.96  -414.052934    2      1      
iter:   7  21:08:09  -5.29  -4.22  -414.053129    2      1      
iter:   8  21:10:34  -5.31  -4.36  -414.053808    3      1      
iter:   9  21:12:59  -5.73  -4.05  -414.052930    3      1      
iter:  10  21:15:24  -5.90  -3.95  -414.052954    2      1      
iter:  11  21:17:50  -6.48  -4.42  -414.053247    2      1      
iter:  12  21:20:15  -6.84  -4.70  -414.053067    2      1      
iter:  13  21:22:41  -6.96  -4.95  -414.053077    2      1      
iter:  14  21:25:07  -7.07  -5.05  -414.053062    2      1      
iter:  15  21:27:33  -7.44  -5.13  -414.053132    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962536, -32.515810, 0.026058) |e|*Ang

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

Kinetic:        +18.440316
Potential:     -136.972632
External:        +0.000000
XC:            -305.230272
Entropy (-ST):   -1.565369
Local:          +10.492141
--------------------------
Free energy:   -414.835816
Extrapolated:  -414.053132

Fermi level: -6.51220

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57956    0.14718
  0   340     -6.56666    0.14064
  0   341     -6.56559    0.14008
  0   342     -6.53380    0.12306

  1   339     -6.48714    0.19451
  1   340     -6.43872    0.14406
  1   341     -6.40667    0.11476
  1   342     -6.39050    0.10154



Forces in eV/Ang:
  0 O     0.00000   -0.01713    1.17337
  1 Pt    0.00000   -0.00304   -0.37363
  2 Pt    0.00000   -0.01900   -0.43413
  3 O    -1.68258    0.00033   -0.71883
  4 O     1.68258    0.00033   -0.71883
  5 O     0.00000   -0.01276   -1.38445
  6 O     0.00000   -0.00249    1.76905
  7 Pt   -0.00000    0.01368    0.45211
  8 Pt    0.00000   -0.03671    0.74774
  9 O    -1.58062    0.00047    0.05207
 10 O     1.58062    0.00047    0.05207
 11 O     0.00000   -0.00897   -0.56515
 12 O    -0.00000    0.01521    0.14849
 13 Pt   -0.00000    0.29764   -0.03665
 14 Pt    0.00000   -0.01930    0.01009
 15 O    -0.00148    0.00974    0.00328
 16 O     0.00148    0.00974    0.00328
 17 O    -0.00000    0.01457   -1.11940
 18 O    -0.00000    0.00541    0.02649
 19 Pt    0.00000   -0.01914    0.14092
 20 Pt    0.00000   -0.01756    0.20729
 21 O    -0.21565    0.39207    0.23052
 22 O     0.21565    0.39207    0.23052
 23 O     0.00000   -0.01881   -0.08793
 24 O     0.00000   -0.00133    1.14929
 25 Pt   -0.00000    0.01722   -0.37720
 26 Pt    0.00000   -0.00025   -0.43487
 27 O    -1.69125    0.01328   -0.71795
 28 O     1.69125    0.01328   -0.71795
 29 O    -0.00000    0.04612   -1.38638
 30 O     0.00000   -0.00459    1.83603
 31 Pt   -0.00000    0.01955    0.51129
 32 Pt    0.00000   -0.14194    0.57578
 33 O    -1.61449   -0.01895    0.07071
 34 O     1.61449   -0.01895    0.07071
 35 O     0.00000   -0.03230   -0.52462
 36 O    -0.00000    0.22290   -0.11340
 37 Pt    0.00000   -0.34698   -0.04002
 38 Pt    0.00000   -0.00494   -0.00978
 39 O     0.00901    0.01161    0.01532
 40 O    -0.00901    0.01161    0.01532
 41 O     0.00000   -0.00553    0.07561
 42 O    -0.00000    0.03316   -0.01919
 43 Pt    0.00000   -0.01674    0.04838
 44 Pt    0.00000   -0.08616   -0.04451
 45 O    -0.14016   -0.42264    0.04339
 46 O     0.14016   -0.42264    0.04339
 47 O     0.00000   -0.02185   -0.06007
 48 O    -0.00000    0.02239    1.17127
 49 Pt    0.00000   -0.02234   -0.37571
 50 Pt   -0.00000    0.02117   -0.43545
 51 O    -1.69040   -0.01393   -0.71825
 52 O     1.69040   -0.01393   -0.71825
 53 O     0.00000   -0.01037   -1.40473
 54 O     0.00000   -0.00216    1.77731
 55 Pt    0.00000   -0.01229    0.51759
 56 Pt   -0.00000    0.11944    0.65146
 57 O    -1.61398    0.01382    0.09146
 58 O     1.61398    0.01382    0.09146
 59 O     0.00000   -0.02130   -0.51593
 60 O     0.00000   -0.22093   -0.11268
 61 Pt   -0.00000    0.03140   -0.09714
 62 Pt   -0.00000    0.01735   -0.00656
 63 O    -0.01556   -0.00704    0.00312
 64 O     0.01556   -0.00704    0.00312
 65 O    -0.00000    0.00122    0.00483
 66 O     0.00000   -0.01564   -0.00403
 67 Pt   -0.00000    0.01123    0.01754
 68 Pt   -0.00000    0.15013    0.02703
 69 O    -0.00273    0.01562   -0.04102
 70 O     0.00273    0.01562   -0.04102
 71 O    -0.00000    0.00907   -0.05206
 72 N     0.00000   -0.57117    0.29447
 73 N    -0.00000    0.51913    0.29849

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.849833   23.914381    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.741316   23.890755    ( 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  21:38:22  -2.47   +inf  -414.067153    3      1      
iter:   2  21:40:48  -3.34  -3.20  -414.134999    3      1      
iter:   3  21:43:14  -3.83  -2.64  -414.057627    3      1      
iter:   4  21:45:40  -4.21  -3.21  -414.060298    3      1      
iter:   5  21:48:05  -4.01  -3.57  -414.053865    3      1      
iter:   6  21:50:32  -4.47  -3.63  -414.054449    2      1      
iter:   7  21:52:59  -5.01  -3.95  -414.054525    2      1      
iter:   8  21:55:25  -5.22  -4.28  -414.056750    2      1      
iter:   9  21:57:51  -5.27  -3.48  -414.054966    3      1      
iter:  10  22:00:18  -5.74  -3.98  -414.054443    3      1      
iter:  11  22:02:44  -6.14  -4.33  -414.054990    2      1      
iter:  12  22:05:11  -6.47  -4.35  -414.054479    2      1      
iter:  13  22:07:36  -6.61  -4.66  -414.054596    2      1      
iter:  14  22:10:02  -6.53  -4.90  -414.054588    2      1      
iter:  15  22:12:28  -7.11  -4.67  -414.054541    2      1      
iter:  16  22:14:55  -7.43  -4.62  -414.054547    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962577, -32.518178, 0.027282) |e|*Ang

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

Kinetic:        +18.571331
Potential:     -137.073122
External:        +0.000000
XC:            -305.264871
Entropy (-ST):   -1.565482
Local:          +10.494857
--------------------------
Free energy:   -414.837288
Extrapolated:  -414.054547

Fermi level: -6.51148

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57954    0.14752
  0   340     -6.56582    0.14057
  0   341     -6.56470    0.14000
  0   342     -6.53337    0.12322

  1   339     -6.48635    0.19444
  1   340     -6.43786    0.14393
  1   341     -6.40587    0.11469
  1   342     -6.38993    0.10166



Forces in eV/Ang:
  0 O     0.00000   -0.01714    1.17334
  1 Pt    0.00000   -0.00299   -0.37372
  2 Pt    0.00000   -0.01902   -0.43433
  3 O    -1.68325    0.00029   -0.71881
  4 O     1.68325    0.00029   -0.71881
  5 O     0.00000   -0.01269   -1.38417
  6 O     0.00000   -0.00255    1.76676
  7 Pt   -0.00000    0.01371    0.45094
  8 Pt    0.00000   -0.03694    0.74694
  9 O    -1.58091    0.00051    0.05175
 10 O     1.58091    0.00051    0.05175
 11 O     0.00000   -0.00897   -0.56558
 12 O    -0.00000    0.01476    0.14749
 13 Pt   -0.00000    0.29582   -0.03836
 14 Pt    0.00000   -0.01921    0.00879
 15 O    -0.00150    0.00962    0.00291
 16 O     0.00150    0.00962    0.00291
 17 O    -0.00000    0.01416   -1.11400
 18 O    -0.00000    0.00524    0.02668
 19 Pt    0.00000   -0.01942    0.14141
 20 Pt    0.00000   -0.01729    0.20710
 21 O    -0.21444    0.39080    0.23147
 22 O     0.21444    0.39080    0.23147
 23 O     0.00000   -0.01756   -0.08604
 24 O     0.00000   -0.00129    1.14924
 25 Pt   -0.00000    0.01716   -0.37729
 26 Pt    0.00000   -0.00020   -0.43517
 27 O    -1.69189    0.01332   -0.71797
 28 O     1.69189    0.01332   -0.71797
 29 O    -0.00000    0.04615   -1.38613
 30 O     0.00000   -0.00472    1.83343
 31 Pt   -0.00000    0.01951    0.51023
 32 Pt    0.00000   -0.14226    0.57458
 33 O    -1.61478   -0.01902    0.07047
 34 O     1.61478   -0.01902    0.07047
 35 O     0.00000   -0.03235   -0.52479
 36 O    -0.00000    0.22217   -0.11312
 37 Pt    0.00000   -0.34332   -0.04148
 38 Pt    0.00000   -0.00462   -0.01085
 39 O     0.00900    0.01185    0.01479
 40 O    -0.00900    0.01185    0.01479
 41 O     0.00000   -0.00572    0.06579
 42 O    -0.00000    0.03320   -0.01905
 43 Pt    0.00000   -0.01610    0.05200
 44 Pt    0.00000   -0.08617   -0.03355
 45 O    -0.14095   -0.41687    0.04842
 46 O     0.14095   -0.41687    0.04842
 47 O     0.00000   -0.02284   -0.05776
 48 O    -0.00000    0.02235    1.17122
 49 Pt    0.00000   -0.02232   -0.37592
 50 Pt   -0.00000    0.02114   -0.43581
 51 O    -1.69110   -0.01393   -0.71828
 52 O     1.69110   -0.01393   -0.71828
 53 O     0.00000   -0.01048   -1.40442
 54 O     0.00000   -0.00198    1.77456
 55 Pt    0.00000   -0.01230    0.51658
 56 Pt   -0.00000    0.12002    0.65041
 57 O    -1.61418    0.01384    0.09126
 58 O     1.61418    0.01384    0.09126
 59 O     0.00000   -0.02125   -0.51625
 60 O     0.00000   -0.21965   -0.11288
 61 Pt   -0.00000    0.02925   -0.09804
 62 Pt   -0.00000    0.01700   -0.00751
 63 O    -0.01575   -0.00717    0.00278
 64 O     0.01575   -0.00717    0.00278
 65 O    -0.00000    0.00105    0.00116
 66 O     0.00000   -0.01564   -0.00378
 67 Pt   -0.00000    0.01082    0.02029
 68 Pt   -0.00000    0.15012    0.02988
 69 O    -0.00265    0.01388   -0.03817
 70 O     0.00265    0.01388   -0.03817
 71 O    -0.00000    0.00886   -0.05054
 72 N     0.00000   -0.45685    0.34383
 73 N    -0.00000    0.31865    0.29421

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.836033   23.922860    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.726860   23.886760    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:20:41  -3.04   +inf  -414.055689    3      1      
iter:   2  22:23:07  -3.89  -3.79  -414.061086    3      1      
iter:   3  22:25:34  -4.38  -3.40  -414.058645    3      1      
iter:   4  22:28:01  -4.66  -3.41  -414.055468    3      1      
iter:   5  22:30:27  -4.56  -3.61  -414.056785    3      1      
iter:   6  22:32:52  -5.27  -4.21  -414.056349    2      1      
iter:   7  22:35:18  -5.71  -4.46  -414.056322    2      1      
iter:   8  22:37:43  -5.81  -4.49  -414.055863    2      1      
iter:   9  22:40:08  -6.14  -4.26  -414.056166    2      1      
iter:  10  22:42:35  -6.35  -4.04  -414.056528    2      1      
iter:  11  22:45:00  -6.75  -4.39  -414.056154    2      1      
iter:  12  22:47:26  -7.09  -4.76  -414.056249    2      1      
iter:  13  22:49:52  -7.21  -5.05  -414.056235    2      1      
iter:  14  22:52:18  -7.43  -5.16  -414.056239    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962540, -32.519369, 0.027129) |e|*Ang

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

Kinetic:        +18.489774
Potential:     -137.025293
External:        +0.000000
XC:            -305.234061
Entropy (-ST):   -1.565434
Local:          +10.496058
--------------------------
Free energy:   -414.838956
Extrapolated:  -414.056239

Fermi level: -6.51139

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57968    0.14764
  0   340     -6.56581    0.14062
  0   341     -6.56470    0.14004
  0   342     -6.53335    0.12326

  1   339     -6.48628    0.19447
  1   340     -6.43783    0.14398
  1   341     -6.40575    0.11466
  1   342     -6.38990    0.10170



Forces in eV/Ang:
  0 O     0.00000   -0.01711    1.17369
  1 Pt    0.00000   -0.00299   -0.37339
  2 Pt    0.00000   -0.01897   -0.43374
  3 O    -1.68306    0.00027   -0.71867
  4 O     1.68306    0.00027   -0.71867
  5 O     0.00000   -0.01267   -1.38458
  6 O     0.00000   -0.00249    1.76776
  7 Pt   -0.00000    0.01382    0.45145
  8 Pt    0.00000   -0.03710    0.74746
  9 O    -1.58088    0.00060    0.05186
 10 O     1.58088    0.00060    0.05186
 11 O     0.00000   -0.00900   -0.56540
 12 O    -0.00000    0.01427    0.14705
 13 Pt   -0.00000    0.29463   -0.03798
 14 Pt    0.00000   -0.01930    0.00903
 15 O    -0.00179    0.00968    0.00316
 16 O     0.00179    0.00968    0.00316
 17 O    -0.00000    0.01374   -1.10880
 18 O    -0.00000    0.00537    0.02609
 19 Pt    0.00000   -0.02008    0.13772
 20 Pt    0.00000   -0.01563    0.20174
 21 O    -0.21498    0.39006    0.22810
 22 O     0.21498    0.39006    0.22810
 23 O     0.00000   -0.01842   -0.08854
 24 O     0.00000   -0.00127    1.14963
 25 Pt   -0.00000    0.01717   -0.37697
 26 Pt    0.00000   -0.00018   -0.43464
 27 O    -1.69174    0.01338   -0.71781
 28 O     1.69174    0.01338   -0.71781
 29 O    -0.00000    0.04619   -1.38658
 30 O     0.00000   -0.00468    1.83370
 31 Pt   -0.00000    0.01933    0.51057
 32 Pt    0.00000   -0.14241    0.57462
 33 O    -1.61467   -0.01914    0.07054
 34 O     1.61467   -0.01914    0.07054
 35 O     0.00000   -0.03236   -0.52482
 36 O    -0.00000    0.22182   -0.11302
 37 Pt    0.00000   -0.34133   -0.04084
 38 Pt    0.00000   -0.00482   -0.01020
 39 O     0.00873    0.01166    0.01514
 40 O    -0.00873    0.01166    0.01514
 41 O     0.00000   -0.00600    0.06280
 42 O    -0.00000    0.03278   -0.01897
 43 Pt    0.00000   -0.01536    0.04837
 44 Pt    0.00000   -0.08677   -0.03320
 45 O    -0.14165   -0.41390    0.04563
 46 O     0.14165   -0.41390    0.04563
 47 O     0.00000   -0.02152   -0.06046
 48 O    -0.00000    0.02229    1.17160
 49 Pt    0.00000   -0.02233   -0.37561
 50 Pt   -0.00000    0.02106   -0.43523
 51 O    -1.69097   -0.01397   -0.71814
 52 O     1.69097   -0.01397   -0.71814
 53 O     0.00000   -0.01055   -1.40486
 54 O     0.00000   -0.00207    1.77531
 55 Pt    0.00000   -0.01224    0.51679
 56 Pt   -0.00000    0.12033    0.65070
 57 O    -1.61408    0.01387    0.09134
 58 O     1.61408    0.01387    0.09134
 59 O     0.00000   -0.02122   -0.51614
 60 O     0.00000   -0.21876   -0.11287
 61 Pt   -0.00000    0.02835   -0.09710
 62 Pt   -0.00000    0.01730   -0.00710
 63 O    -0.01582   -0.00705    0.00295
 64 O     0.01582   -0.00705    0.00295
 65 O    -0.00000    0.00105    0.00255
 66 O     0.00000   -0.01543   -0.00392
 67 Pt   -0.00000    0.01064    0.01847
 68 Pt   -0.00000    0.14983    0.02480
 69 O    -0.00371    0.01334   -0.04030
 70 O     0.00371    0.01334   -0.04030
 71 O    -0.00000    0.00840   -0.05281
 72 N     0.00000   -0.57032    0.23622
 73 N    -0.00000    0.52128    0.33020

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.802518   23.927400    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.696729   23.875186    ( 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  23:04:32  -2.40   +inf  -414.102834    4      1      
iter:   2  23:07:00  -3.09  -2.85  -414.765375    3      1      
iter:   3  23:09:26  -3.51  -2.17  -414.068134    3      1      
iter:   4  23:11:54  -4.07  -3.02  -414.063561    3      1      
iter:   5  23:14:20  -4.32  -3.48  -414.056292    3      1      
iter:   6  23:16:48  -4.16  -3.49  -414.054301    3      1      
iter:   7  23:19:14  -5.04  -3.79  -414.055583    2      1      
iter:   8  23:21:41  -5.05  -4.03  -414.055670    3      1      
iter:   9  23:24:08  -5.06  -4.03  -414.056593    3      1      
iter:  10  23:26:35  -5.11  -3.53  -414.061253    3      1      
iter:  11  23:29:02  -5.21  -3.28  -414.054984    3      1      
iter:  12  23:31:29  -5.57  -3.94  -414.056488    3      1      
iter:  13  23:33:56  -5.92  -4.09  -414.055824    2      1      
iter:  14  23:36:23  -6.45  -4.38  -414.055839    2      1      
iter:  15  23:38:49  -6.36  -4.47  -414.055566    2      1      
iter:  16  23:41:15  -6.16  -4.48  -414.055555    2      1      
iter:  17  23:43:42  -6.70  -4.03  -414.055722    2      1      
iter:  18  23:46:08  -7.05  -4.71  -414.055592    2      1      
iter:  19  23:48:34  -7.21  -4.73  -414.055697    2      1      
iter:  20  23:51:01  -7.33  -4.66  -414.055679    2      1      
iter:  21  23:53:28  -7.54  -4.71  -414.055688    2      1      

Converged after 21 iterations.

Dipole moment: (-55.962531, -32.522090, 0.029578) |e|*Ang

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

Kinetic:        +18.965125
Potential:     -137.406071
External:        +0.000000
XC:            -305.331350
Entropy (-ST):   -1.565344
Local:          +10.499280
--------------------------
Free energy:   -414.838360
Extrapolated:  -414.055688

Fermi level: -6.50924

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57793    0.14784
  0   340     -6.56371    0.14065
  0   341     -6.56258    0.14006
  0   342     -6.53127    0.12330

  1   339     -6.48416    0.19449
  1   340     -6.43571    0.14401
  1   341     -6.40352    0.11459
  1   342     -6.38772    0.10168



Forces in eV/Ang:
  0 O     0.00000   -0.01710    1.17375
  1 Pt    0.00000   -0.00292   -0.37342
  2 Pt    0.00000   -0.01895   -0.43361
  3 O    -1.68304    0.00029   -0.71867
  4 O     1.68304    0.00029   -0.71867
  5 O     0.00000   -0.01263   -1.38470
  6 O     0.00000   -0.00257    1.76820
  7 Pt   -0.00000    0.01375    0.45155
  8 Pt    0.00000   -0.03727    0.74796
  9 O    -1.58081    0.00055    0.05190
 10 O     1.58081    0.00055    0.05190
 11 O     0.00000   -0.00899   -0.56575
 12 O    -0.00000    0.01420    0.14704
 13 Pt   -0.00000    0.29270   -0.03768
 14 Pt    0.00000   -0.01906    0.00969
 15 O    -0.00138    0.00966    0.00337
 16 O     0.00138    0.00966    0.00337
 17 O    -0.00000    0.01360   -1.10033
 18 O    -0.00000    0.00496    0.02610
 19 Pt    0.00000   -0.02000    0.13595
 20 Pt    0.00000   -0.01852    0.19075
 21 O    -0.21426    0.38902    0.22750
 22 O     0.21426    0.38902    0.22750
 23 O     0.00000   -0.01812   -0.08858
 24 O     0.00000   -0.00127    1.14966
 25 Pt   -0.00000    0.01703   -0.37705
 26 Pt    0.00000   -0.00020   -0.43452
 27 O    -1.69176    0.01336   -0.71783
 28 O     1.69176    0.01336   -0.71783
 29 O    -0.00000    0.04624   -1.38668
 30 O     0.00000   -0.00469    1.83419
 31 Pt   -0.00000    0.01940    0.51082
 32 Pt    0.00000   -0.14258    0.57497
 33 O    -1.61456   -0.01911    0.07064
 34 O     1.61456   -0.01911    0.07064
 35 O     0.00000   -0.03232   -0.52479
 36 O    -0.00000    0.22121   -0.11284
 37 Pt    0.00000   -0.33891   -0.04075
 38 Pt    0.00000   -0.00473   -0.01011
 39 O     0.00885    0.01169    0.01525
 40 O    -0.00885    0.01169    0.01525
 41 O     0.00000   -0.00626    0.05699
 42 O    -0.00000    0.03244   -0.01885
 43 Pt    0.00000   -0.01482    0.04643
 44 Pt    0.00000   -0.08511   -0.03457
 45 O    -0.14070   -0.40860    0.04441
 46 O     0.14070   -0.40860    0.04441
 47 O     0.00000   -0.02185   -0.05982
 48 O    -0.00000    0.02228    1.17165
 49 Pt    0.00000   -0.02226   -0.37568
 50 Pt   -0.00000    0.02106   -0.43506
 51 O    -1.69096   -0.01397   -0.71815
 52 O     1.69096   -0.01397   -0.71815
 53 O     0.00000   -0.01065   -1.40493
 54 O     0.00000   -0.00198    1.77594
 55 Pt    0.00000   -0.01224    0.51718
 56 Pt   -0.00000    0.12072    0.65096
 57 O    -1.61393    0.01389    0.09153
 58 O     1.61393    0.01389    0.09153
 59 O     0.00000   -0.02126   -0.51631
 60 O     0.00000   -0.21794   -0.11256
 61 Pt   -0.00000    0.02735   -0.09696
 62 Pt   -0.00000    0.01700   -0.00685
 63 O    -0.01578   -0.00708    0.00290
 64 O     0.01578   -0.00708    0.00290
 65 O     0.00000    0.00116    0.00316
 66 O     0.00000   -0.01485   -0.00385
 67 Pt   -0.00000    0.01018    0.01888
 68 Pt   -0.00000    0.14952    0.02336
 69 O    -0.00484    0.01192   -0.03931
 70 O     0.00484    0.01192   -0.03931
 71 O    -0.00000    0.00855   -0.05262
 72 N     0.00000   -0.12920    0.33773
 73 N    -0.00000    0.07604    0.28453

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.769284   23.936370    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.665581   23.863608    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:58:46  -2.36   +inf  -414.069879    3      1      
iter:   2  00:01:13  -3.22  -3.23  -414.111095    3      1      
iter:   3  00:03:40  -3.73  -2.69  -414.065717    3      1      
iter:   4  00:06:07  -4.13  -3.09  -414.062635    3      1      
iter:   5  00:08:34  -4.01  -3.44  -414.055522    3      1      
iter:   6  00:11:00  -4.22  -3.48  -414.055544    2      1      
iter:   7  00:13:26  -5.02  -4.03  -414.055936    2      1      
iter:   8  00:15:52  -5.17  -4.02  -414.055973    3      1      
iter:   9  00:18:18  -5.18  -4.19  -414.056476    3      1      
iter:  10  00:20:43  -5.81  -4.16  -414.055801    2      1      
iter:  11  00:23:09  -6.16  -4.09  -414.055608    2      1      
iter:  12  00:25:35  -6.17  -3.78  -414.056290    2      1      
iter:  13  00:28:01  -6.37  -4.23  -414.055853    2      1      
iter:  14  00:30:27  -6.31  -4.73  -414.055775    2      1      
iter:  15  00:32:54  -6.65  -4.60  -414.055784    2      1      
iter:  16  00:35:21  -7.30  -4.96  -414.055860    2      1      
iter:  17  00:37:47  -7.73  -4.94  -414.055841    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962560, -32.524892, 0.030510) |e|*Ang

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

Kinetic:        +19.041975
Potential:     -137.454265
External:        +0.000000
XC:            -305.359647
Entropy (-ST):   -1.565462
Local:          +10.498828
--------------------------
Free energy:   -414.838572
Extrapolated:  -414.055841

Fermi level: -6.50863

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57789    0.14812
  0   340     -6.56304    0.14061
  0   341     -6.56189    0.14002
  0   342     -6.53086    0.12341

  1   339     -6.48359    0.19454
  1   340     -6.43502    0.14393
  1   341     -6.40282    0.11451
  1   342     -6.38712    0.10169



Forces in eV/Ang:
  0 O     0.00000   -0.01709    1.17349
  1 Pt    0.00000   -0.00286   -0.37320
  2 Pt    0.00000   -0.01893   -0.43388
  3 O    -1.68321    0.00027   -0.71860
  4 O     1.68321    0.00027   -0.71860
  5 O     0.00000   -0.01266   -1.38451
  6 O     0.00000   -0.00276    1.76728
  7 Pt   -0.00000    0.01378    0.45134
  8 Pt    0.00000   -0.03760    0.74799
  9 O    -1.58122    0.00054    0.05184
 10 O     1.58122    0.00054    0.05184
 11 O     0.00000   -0.00906   -0.56532
 12 O    -0.00000    0.01351    0.14631
 13 Pt   -0.00000    0.29034   -0.03852
 14 Pt    0.00000   -0.01892    0.00887
 15 O    -0.00155    0.00965    0.00323
 16 O     0.00155    0.00965    0.00323
 17 O    -0.00000    0.01298   -1.09107
 18 O    -0.00000    0.00471    0.02620
 19 Pt    0.00000   -0.02036    0.13710
 20 Pt    0.00000   -0.01765    0.19496
 21 O    -0.21311    0.38684    0.22808
 22 O     0.21311    0.38684    0.22808
 23 O     0.00000   -0.01745   -0.08651
 24 O     0.00000   -0.00126    1.14941
 25 Pt   -0.00000    0.01701   -0.37693
 26 Pt    0.00000   -0.00020   -0.43485
 27 O    -1.69194    0.01341   -0.71778
 28 O     1.69194    0.01341   -0.71778
 29 O    -0.00000    0.04633   -1.38633
 30 O     0.00000   -0.00472    1.83298
 31 Pt   -0.00000    0.01937    0.51072
 32 Pt    0.00000   -0.14288    0.57432
 33 O    -1.61492   -0.01911    0.07067
 34 O     1.61492   -0.01911    0.07067
 35 O     0.00000   -0.03235   -0.52421
 36 O    -0.00000    0.21995   -0.11198
 37 Pt    0.00000   -0.33504   -0.04111
 38 Pt    0.00000   -0.00465   -0.01065
 39 O     0.00865    0.01181    0.01506
 40 O    -0.00865    0.01181    0.01506
 41 O     0.00000   -0.00620    0.04970
 42 O    -0.00000    0.03227   -0.01864
 43 Pt    0.00000   -0.01410    0.04962
 44 Pt    0.00000   -0.08621   -0.02352
 45 O    -0.13990   -0.40208    0.04573
 46 O     0.13990   -0.40208    0.04573
 47 O     0.00000   -0.02261   -0.05750
 48 O    -0.00000    0.02224    1.17139
 49 Pt    0.00000   -0.02229   -0.37556
 50 Pt   -0.00000    0.02104   -0.43532
 51 O    -1.69114   -0.01400   -0.71811
 52 O     1.69114   -0.01400   -0.71811
 53 O     0.00000   -0.01071   -1.40449
 54 O     0.00000   -0.00177    1.77489
 55 Pt    0.00000   -0.01224    0.51703
 56 Pt   -0.00000    0.12141    0.65048
 57 O    -1.61430    0.01391    0.09160
 58 O     1.61430    0.01391    0.09160
 59 O     0.00000   -0.02115   -0.51589
 60 O     0.00000   -0.21582   -0.11217
 61 Pt   -0.00000    0.02545   -0.09653
 62 Pt   -0.00000    0.01682   -0.00732
 63 O    -0.01602   -0.00721    0.00291
 64 O     0.01602   -0.00721    0.00291
 65 O     0.00000    0.00085    0.00184
 66 O     0.00000   -0.01462   -0.00366
 67 Pt   -0.00000    0.00982    0.02164
 68 Pt   -0.00000    0.14988    0.02688
 69 O    -0.00484    0.01080   -0.03722
 70 O     0.00484    0.01080   -0.03722
 71 O    -0.00000    0.00881   -0.05096
 72 N     0.00000   -0.05261    0.32993
 73 N     0.00000   -0.07166    0.32697

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.735878   23.946893    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.633456   23.853282    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:43:21  -2.35   +inf  -414.080860    3      1      
iter:   2  00:45:47  -3.15  -3.04  -414.334542    3      1      
iter:   3  00:48:14  -3.61  -2.37  -414.064613    3      1      
iter:   4  00:50:40  -4.08  -3.22  -414.066470    3      1      
iter:   5  00:53:06  -4.02  -3.52  -414.058470    3      1      
iter:   6  00:55:32  -4.19  -3.52  -414.059380    2      1      
iter:   7  00:57:57  -5.06  -4.11  -414.060144    2      1      
iter:   8  01:00:24  -5.40  -4.15  -414.059676    3      1      
iter:   9  01:02:49  -5.26  -4.04  -414.060591    3      1      
iter:  10  01:05:16  -5.35  -3.88  -414.061849    2      1      
iter:  11  01:07:42  -5.78  -3.49  -414.060018    2      1      
iter:  12  01:10:09  -6.25  -4.37  -414.060066    2      1      
iter:  13  01:12:35  -6.44  -4.49  -414.059895    2      1      
iter:  14  01:15:01  -6.80  -4.87  -414.060005    2      1      
iter:  15  01:17:28  -7.02  -4.82  -414.059884    2      1      
iter:  16  01:19:54  -7.35  -4.97  -414.059922    2      1      
iter:  17  01:22:21  -7.73  -4.89  -414.059957    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962544, -32.527996, 0.031669) |e|*Ang

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

Kinetic:        +19.003622
Potential:     -137.421777
External:        +0.000000
XC:            -305.354123
Entropy (-ST):   -1.565276
Local:          +10.494959
--------------------------
Free energy:   -414.842595
Extrapolated:  -414.059957

Fermi level: -6.50733

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57677    0.14821
  0   340     -6.56200    0.14075
  0   341     -6.56086    0.14016
  0   342     -6.52953    0.12339

  1   339     -6.48233    0.19459
  1   340     -6.43391    0.14412
  1   341     -6.40144    0.11445
  1   342     -6.38577    0.10165



Forces in eV/Ang:
  0 O     0.00000   -0.01708    1.17350
  1 Pt    0.00000   -0.00280   -0.37330
  2 Pt    0.00000   -0.01894   -0.43379
  3 O    -1.68218    0.00026   -0.71878
  4 O     1.68218    0.00026   -0.71878
  5 O     0.00000   -0.01260   -1.38517
  6 O     0.00000   -0.00274    1.77092
  7 Pt   -0.00000    0.01379    0.45199
  8 Pt    0.00000   -0.03780    0.74879
  9 O    -1.58086    0.00055    0.05173
 10 O     1.58086    0.00055    0.05173
 11 O     0.00000   -0.00908   -0.56562
 12 O    -0.00000    0.01281    0.14523
 13 Pt   -0.00000    0.28766   -0.03754
 14 Pt    0.00000   -0.01881    0.01008
 15 O    -0.00145    0.00962    0.00324
 16 O     0.00145    0.00962    0.00324
 17 O    -0.00000    0.01259   -1.07782
 18 O    -0.00000    0.00473    0.02577
 19 Pt    0.00000   -0.02056    0.13532
 20 Pt    0.00000   -0.01814    0.18936
 21 O    -0.21299    0.38541    0.22659
 22 O     0.21299    0.38541    0.22659
 23 O     0.00000   -0.01773   -0.08777
 24 O     0.00000   -0.00124    1.14941
 25 Pt   -0.00000    0.01693   -0.37704
 26 Pt    0.00000   -0.00019   -0.43475
 27 O    -1.69091    0.01342   -0.71797
 28 O     1.69091    0.01342   -0.71797
 29 O    -0.00000    0.04640   -1.38690
 30 O     0.00000   -0.00476    1.83651
 31 Pt   -0.00000    0.01931    0.51140
 32 Pt    0.00000   -0.14322    0.57451
 33 O    -1.61452   -0.01916    0.07058
 34 O     1.61452   -0.01916    0.07058
 35 O     0.00000   -0.03237   -0.52440
 36 O    -0.00000    0.21886   -0.11137
 37 Pt    0.00000   -0.33092   -0.03972
 38 Pt    0.00000   -0.00457   -0.00914
 39 O     0.00875    0.01186    0.01514
 40 O    -0.00875    0.01186    0.01514
 41 O     0.00000   -0.00624    0.04685
 42 O    -0.00000    0.03199   -0.01884
 43 Pt    0.00000   -0.01350    0.04787
 44 Pt    0.00000   -0.08604   -0.02112
 45 O    -0.13957   -0.39641    0.04482
 46 O     0.13957   -0.39641    0.04482
 47 O     0.00000   -0.02204   -0.05852
 48 O    -0.00000    0.02221    1.17140
 49 Pt    0.00000   -0.02227   -0.37571
 50 Pt   -0.00000    0.02104   -0.43524
 51 O    -1.69012   -0.01400   -0.71832
 52 O     1.69012   -0.01400   -0.71832
 53 O     0.00000   -0.01084   -1.40505
 54 O     0.00000   -0.00173    1.77849
 55 Pt    0.00000   -0.01221    0.51775
 56 Pt   -0.00000    0.12197    0.65082
 57 O    -1.61388    0.01394    0.09157
 58 O     1.61388    0.01394    0.09157
 59 O     0.00000   -0.02111   -0.51611
 60 O     0.00000   -0.21388   -0.11217
 61 Pt   -0.00000    0.02363   -0.09440
 62 Pt   -0.00000    0.01668   -0.00614
 63 O    -0.01587   -0.00726    0.00290
 64 O     0.01587   -0.00726    0.00290
 65 O     0.00000    0.00053    0.00606
 66 O     0.00000   -0.01452   -0.00394
 67 Pt   -0.00000    0.00945    0.02196
 68 Pt   -0.00000    0.14993    0.02552
 69 O    -0.00596    0.00973   -0.03687
 70 O     0.00596    0.00973   -0.03687
 71 O    -0.00000    0.00863   -0.05170
 72 N     0.00000   -0.09837    0.31874
 73 N    -0.00000    0.02376    0.29351

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.703239   23.958389    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.602370   23.842529    ( 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  01:30:21  -2.37   +inf  -414.094739    3      1      
iter:   2  01:32:47  -3.03  -2.83  -414.958815    3      1      
iter:   3  01:35:13  -3.47  -2.13  -414.066503    3      1      
iter:   4  01:37:39  -3.94  -3.37  -414.068700    3      1      
iter:   5  01:40:06  -3.98  -3.46  -414.060705    3      1      
iter:   6  01:42:32  -4.17  -3.34  -414.062711    3      1      
iter:   7  01:44:58  -5.07  -3.93  -414.062464    2      1      
iter:   8  01:47:25  -5.41  -4.03  -414.062584    3      1      
iter:   9  01:49:51  -5.41  -4.05  -414.065982    2      1      
iter:  10  01:52:17  -5.31  -3.36  -414.062223    3      1      
iter:  11  01:54:44  -5.82  -4.22  -414.062931    2      1      
iter:  12  01:57:10  -6.42  -4.27  -414.062566    2      1      
iter:  13  01:59:35  -6.52  -4.51  -414.062687    2      1      
iter:  14  02:02:01  -6.64  -4.74  -414.062582    2      1      
iter:  15  02:04:28  -7.12  -4.74  -414.062562    2      1      
iter:  16  02:06:54  -7.19  -4.37  -414.062588    2      1      
iter:  17  02:09:19  -7.40  -4.96  -414.062522    2      1      
iter:  18  02:11:44  -7.56  -5.08  -414.062658    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962523, -32.531535, 0.033649) |e|*Ang

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

Kinetic:        +18.888049
Potential:     -137.324506
External:        +0.000000
XC:            -305.336918
Entropy (-ST):   -1.565226
Local:          +10.493330
--------------------------
Free energy:   -414.845271
Extrapolated:  -414.062658

Fermi level: -6.50600

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57601    0.14849
  0   340     -6.56059    0.14070
  0   341     -6.55941    0.14010
  0   342     -6.52836    0.12348

  1   339     -6.48094    0.19452
  1   340     -6.43251    0.14406
  1   341     -6.39998    0.11434
  1   342     -6.38441    0.10163



Forces in eV/Ang:
  0 O     0.00000   -0.01713    1.17348
  1 Pt    0.00000   -0.00273   -0.37388
  2 Pt    0.00000   -0.01899   -0.43462
  3 O    -1.68298    0.00027   -0.71881
  4 O     1.68298    0.00027   -0.71881
  5 O     0.00000   -0.01251   -1.38493
  6 O     0.00000   -0.00264    1.76824
  7 Pt   -0.00000    0.01377    0.45154
  8 Pt    0.00000   -0.03781    0.74875
  9 O    -1.58081    0.00051    0.05171
 10 O     1.58081    0.00051    0.05171
 11 O     0.00000   -0.00901   -0.56530
 12 O    -0.00000    0.01227    0.14471
 13 Pt   -0.00000    0.28512   -0.03774
 14 Pt    0.00000   -0.01909    0.00952
 15 O    -0.00147    0.00963    0.00336
 16 O     0.00147    0.00963    0.00336
 17 O    -0.00000    0.01167   -1.06763
 18 O    -0.00000    0.00424    0.02557
 19 Pt    0.00000   -0.02109    0.13412
 20 Pt    0.00000   -0.01762    0.18644
 21 O    -0.21207    0.38339    0.22574
 22 O     0.21207    0.38339    0.22574
 23 O     0.00000   -0.01776   -0.08731
 24 O     0.00000   -0.00124    1.14942
 25 Pt   -0.00000    0.01686   -0.37750
 26 Pt    0.00000   -0.00021   -0.43537
 27 O    -1.69165    0.01338   -0.71799
 28 O     1.69165    0.01338   -0.71799
 29 O    -0.00000    0.04650   -1.38630
 30 O     0.00000   -0.00477    1.83427
 31 Pt   -0.00000    0.01936    0.51087
 32 Pt    0.00000   -0.14349    0.57367
 33 O    -1.61456   -0.01901    0.07057
 34 O     1.61456   -0.01901    0.07057
 35 O     0.00000   -0.03236   -0.52416
 36 O    -0.00000    0.21760   -0.11096
 37 Pt    0.00000   -0.32722   -0.03963
 38 Pt    0.00000   -0.00460   -0.01006
 39 O     0.00884    0.01172    0.01517
 40 O    -0.00884    0.01172    0.01517
 41 O     0.00000   -0.00640    0.04080
 42 O    -0.00000    0.03155   -0.01831
 43 Pt    0.00000   -0.01266    0.04830
 44 Pt    0.00000   -0.08622   -0.01473
 45 O    -0.13954   -0.38987    0.04562
 46 O     0.13954   -0.38987    0.04562
 47 O     0.00000   -0.02195   -0.05734
 48 O    -0.00000    0.02225    1.17140
 49 Pt    0.00000   -0.02226   -0.37615
 50 Pt   -0.00000    0.02111   -0.43602
 51 O    -1.69084   -0.01396   -0.71834
 52 O     1.69084   -0.01396   -0.71834
 53 O     0.00000   -0.01104   -1.40460
 54 O     0.00000   -0.00184    1.77589
 55 Pt    0.00000   -0.01224    0.51721
 56 Pt   -0.00000    0.12228    0.65026
 57 O    -1.61394    0.01384    0.09164
 58 O     1.61394    0.01384    0.09164
 59 O     0.00000   -0.02118   -0.51579
 60 O     0.00000   -0.21197   -0.11170
 61 Pt   -0.00000    0.02220   -0.09388
 62 Pt   -0.00000    0.01701   -0.00668
 63 O    -0.01581   -0.00713    0.00290
 64 O     0.01581   -0.00713    0.00290
 65 O     0.00000    0.00075    0.00449
 66 O     0.00000   -0.01377   -0.00374
 67 Pt   -0.00000    0.00913    0.02379
 68 Pt   -0.00000    0.14985    0.02546
 69 O    -0.00662    0.00848   -0.03605
 70 O     0.00662    0.00848   -0.03605
 71 O    -0.00000    0.00863   -0.05116
 72 N     0.00000   -0.11448    0.31195
 73 N    -0.00000    0.07877    0.27144

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.669748   23.969510    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.570086   23.831523    ( 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  02:17:04  -2.36   +inf  -414.071295    3      1      
iter:   2  02:19:30  -3.19  -3.14  -414.238424    3      1      
iter:   3  02:21:56  -3.68  -2.48  -414.068316    2      1      
iter:   4  02:24:22  -3.77  -3.57  -414.061413    3      1      
iter:   5  02:26:48  -4.04  -3.45  -414.067060    3      1      
iter:   6  02:29:15  -4.68  -3.57  -414.064175    3      1      
iter:   7  02:31:41  -5.40  -4.22  -414.063752    2      1      
iter:   8  02:34:08  -5.30  -3.97  -414.064520    3      1      
iter:   9  02:36:34  -5.45  -3.99  -414.063824    2      1      
iter:  10  02:38:59  -5.74  -4.03  -414.064262    2      1      
iter:  11  02:41:26  -6.33  -4.57  -414.064207    2      1      
iter:  12  02:43:52  -6.52  -4.75  -414.064158    2      1      
iter:  13  02:46:17  -6.72  -4.99  -414.064137    2      1      
iter:  14  02:48:43  -7.20  -5.06  -414.064124    2      1      
iter:  15  02:51:09  -7.68  -4.95  -414.064161    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962524, -32.535336, 0.036111) |e|*Ang

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

Kinetic:        +18.641739
Potential:     -137.127170
External:        +0.000000
XC:            -305.292615
Entropy (-ST):   -1.565276
Local:          +10.496524
--------------------------
Free energy:   -414.846799
Extrapolated:  -414.064161

Fermi level: -6.50424

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57492    0.14882
  0   340     -6.55866    0.14062
  0   341     -6.55744    0.13999
  0   342     -6.52679    0.12359

  1   339     -6.47915    0.19449
  1   340     -6.43062    0.14392
  1   341     -6.39810    0.11424
  1   342     -6.38261    0.10159



Forces in eV/Ang:
  0 O     0.00000   -0.01715    1.17358
  1 Pt    0.00000   -0.00264   -0.37395
  2 Pt    0.00000   -0.01902   -0.43442
  3 O    -1.68382    0.00030   -0.71868
  4 O     1.68382    0.00030   -0.71868
  5 O     0.00000   -0.01241   -1.38486
  6 O     0.00000   -0.00260    1.76498
  7 Pt   -0.00000    0.01376    0.45038
  8 Pt    0.00000   -0.03790    0.74872
  9 O    -1.58082    0.00047    0.05144
 10 O     1.58082    0.00047    0.05144
 11 O     0.00000   -0.00898   -0.56554
 12 O    -0.00000    0.01169    0.14377
 13 Pt   -0.00000    0.28206   -0.03934
 14 Pt    0.00000   -0.01902    0.00858
 15 O    -0.00118    0.00956    0.00314
 16 O     0.00118    0.00956    0.00314
 17 O    -0.00000    0.01100   -1.05916
 18 O    -0.00000    0.00423    0.02600
 19 Pt    0.00000   -0.02141    0.13261
 20 Pt    0.00000   -0.01704    0.18462
 21 O    -0.21076    0.38097    0.22532
 22 O     0.21076    0.38097    0.22532
 23 O     0.00000   -0.01780   -0.08647
 24 O     0.00000   -0.00125    1.14952
 25 Pt   -0.00000    0.01674   -0.37751
 26 Pt    0.00000   -0.00027   -0.43499
 27 O    -1.69246    0.01331   -0.71787
 28 O     1.69246    0.01331   -0.71787
 29 O    -0.00000    0.04661   -1.38587
 30 O     0.00000   -0.00476    1.83151
 31 Pt   -0.00000    0.01935    0.50972
 32 Pt    0.00000   -0.14377    0.57267
 33 O    -1.61461   -0.01894    0.07034
 34 O     1.61461   -0.01894    0.07034
 35 O     0.00000   -0.03237   -0.52441
 36 O    -0.00000    0.21604   -0.10995
 37 Pt    0.00000   -0.32260   -0.04050
 38 Pt    0.00000   -0.00454   -0.01065
 39 O     0.00919    0.01184    0.01502
 40 O    -0.00919    0.01184    0.01502
 41 O     0.00000   -0.00634    0.03220
 42 O    -0.00000    0.03130   -0.01782
 43 Pt    0.00000   -0.01205    0.04745
 44 Pt    0.00000   -0.08650   -0.00891
 45 O    -0.13841   -0.38348    0.04615
 46 O     0.13841   -0.38348    0.04615
 47 O     0.00000   -0.02192   -0.05628
 48 O    -0.00000    0.02228    1.17151
 49 Pt    0.00000   -0.02223   -0.37613
 50 Pt   -0.00000    0.02120   -0.43572
 51 O    -1.69161   -0.01393   -0.71823
 52 O     1.69161   -0.01393   -0.71823
 53 O     0.00000   -0.01125   -1.40425
 54 O     0.00000   -0.00189    1.77293
 55 Pt    0.00000   -0.01224    0.51607
 56 Pt   -0.00000    0.12269    0.64952
 57 O    -1.61403    0.01380    0.09144
 58 O     1.61403    0.01380    0.09144
 59 O     0.00000   -0.02120   -0.51599
 60 O     0.00000   -0.20971   -0.11122
 61 Pt   -0.00000    0.02034   -0.09363
 62 Pt   -0.00000    0.01693   -0.00746
 63 O    -0.01540   -0.00719    0.00292
 64 O     0.01540   -0.00719    0.00292
 65 O     0.00000    0.00039    0.00117
 66 O     0.00000   -0.01366   -0.00323
 67 Pt   -0.00000    0.00886    0.02402
 68 Pt   -0.00000    0.14982    0.02554
 69 O    -0.00644    0.00766   -0.03532
 70 O     0.00644    0.00766   -0.03532
 71 O    -0.00000    0.00877   -0.05031
 72 N     0.00000   -0.36336    0.32228
 73 N    -0.00000    0.26217    0.33014

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.637649   23.979930    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.538363   23.820982    ( 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  02:59:22  -2.39   +inf  -414.073245    2      1      
iter:   2  03:01:49  -3.21  -3.14  -414.238106    3      1      
iter:   3  03:04:15  -3.71  -2.47  -414.070811    2      1      
iter:   4  03:06:41  -3.94  -3.53  -414.062849    3      1      
iter:   5  03:09:09  -4.00  -3.32  -414.065864    3      1      
iter:   6  03:11:35  -4.67  -4.00  -414.065201    2      1      
iter:   7  03:14:00  -5.25  -4.15  -414.065130    2      1      
iter:   8  03:16:27  -5.35  -4.10  -414.066945    2      1      
iter:   9  03:18:53  -5.31  -3.41  -414.064758    2      1      
iter:  10  03:21:19  -5.65  -4.21  -414.065722    3      1      
iter:  11  03:23:44  -6.21  -4.30  -414.064938    2      1      
iter:  12  03:26:11  -6.77  -4.62  -414.065118    2      1      
iter:  13  03:28:38  -6.89  -4.88  -414.065105    2      1      
iter:  14  03:31:03  -7.19  -4.95  -414.065165    2      1      
iter:  15  03:33:30  -7.19  -4.34  -414.065108    2      1      
iter:  16  03:35:57  -7.44  -4.69  -414.065050    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962494, -32.538999, 0.038122) |e|*Ang

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

Kinetic:        +18.290664
Potential:     -136.854023
External:        +0.000000
XC:            -305.218269
Entropy (-ST):   -1.565404
Local:          +10.499281
--------------------------
Free energy:   -414.847752
Extrapolated:  -414.065050

Fermi level: -6.50221

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57335    0.14905
  0   340     -6.55669    0.14065
  0   341     -6.55547    0.14002
  0   342     -6.52488    0.12365

  1   339     -6.47726    0.19465
  1   340     -6.42858    0.14392
  1   341     -6.39604    0.11422
  1   342     -6.38052    0.10154



Forces in eV/Ang:
  0 O     0.00000   -0.01718    1.17370
  1 Pt    0.00000   -0.00254   -0.37331
  2 Pt    0.00000   -0.01903   -0.43360
  3 O    -1.68323    0.00033   -0.71849
  4 O     1.68323    0.00033   -0.71849
  5 O     0.00000   -0.01230   -1.38542
  6 O     0.00000   -0.00248    1.76700
  7 Pt   -0.00000    0.01369    0.45131
  8 Pt    0.00000   -0.03795    0.75008
  9 O    -1.58107    0.00031    0.05182
 10 O     1.58107    0.00031    0.05182
 11 O     0.00000   -0.00892   -0.56554
 12 O    -0.00000    0.01101    0.14310
 13 Pt   -0.00000    0.27940   -0.03949
 14 Pt    0.00000   -0.01926    0.00891
 15 O    -0.00148    0.00978    0.00318
 16 O     0.00148    0.00978    0.00318
 17 O    -0.00000    0.01025   -1.04951
 18 O    -0.00000    0.00366    0.02532
 19 Pt    0.00000   -0.02182    0.12796
 20 Pt    0.00000   -0.01697    0.17860
 21 O    -0.20993    0.37864    0.22258
 22 O     0.20993    0.37864    0.22258
 23 O     0.00000   -0.01844   -0.08785
 24 O     0.00000   -0.00130    1.14966
 25 Pt   -0.00000    0.01659   -0.37677
 26 Pt    0.00000   -0.00032   -0.43387
 27 O    -1.69188    0.01329   -0.71766
 28 O     1.69188    0.01329   -0.71766
 29 O    -0.00000    0.04683   -1.38582
 30 O     0.00000   -0.00454    1.83375
 31 Pt   -0.00000    0.01946    0.51050
 32 Pt    0.00000   -0.14387    0.57289
 33 O    -1.61486   -0.01873    0.07068
 34 O     1.61486   -0.01873    0.07068
 35 O     0.00000   -0.03224   -0.52472
 36 O    -0.00000    0.21441   -0.10947
 37 Pt    0.00000   -0.31903   -0.04041
 38 Pt    0.00000   -0.00500   -0.01067
 39 O     0.00892    0.01150    0.01511
 40 O    -0.00892    0.01150    0.01511
 41 O     0.00000   -0.00657    0.02640
 42 O    -0.00000    0.03079   -0.01731
 43 Pt    0.00000   -0.01093    0.04301
 44 Pt    0.00000   -0.08669   -0.00933
 45 O    -0.13744   -0.37728    0.04400
 46 O     0.13744   -0.37728    0.04400
 47 O     0.00000   -0.02102   -0.05724
 48 O    -0.00000    0.02236    1.17164
 49 Pt    0.00000   -0.02218   -0.37518
 50 Pt   -0.00000    0.02126   -0.43467
 51 O    -1.69098   -0.01394   -0.71799
 52 O     1.69098   -0.01394   -0.71799
 53 O     0.00000   -0.01160   -1.40438
 54 O     0.00000   -0.00223    1.77521
 55 Pt    0.00000   -0.01228    0.51667
 56 Pt   -0.00000    0.12287    0.65001
 57 O    -1.61443    0.01375    0.09180
 58 O     1.61443    0.01375    0.09180
 59 O     0.00000   -0.02139   -0.51625
 60 O     0.00000   -0.20731   -0.11100
 61 Pt   -0.00000    0.01912   -0.09296
 62 Pt   -0.00000    0.01764   -0.00735
 63 O    -0.01546   -0.00708    0.00281
 64 O     0.01546   -0.00708    0.00281
 65 O     0.00000    0.00075    0.00080
 66 O     0.00000   -0.01271   -0.00340
 67 Pt   -0.00000    0.00821    0.02252
 68 Pt   -0.00000    0.14971    0.02156
 69 O    -0.00697    0.00690   -0.03618
 70 O     0.00697    0.00690   -0.03618
 71 O    -0.00000    0.00859   -0.05102
 72 N     0.00000   -0.63540    0.26930
 73 N    -0.00000    0.54732    0.42696

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.646157   23.977494    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.558467   23.826940    ( 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  03:46:21  -2.84   +inf  -414.491473    4      1      
iter:   2  03:48:47  -2.36  -2.33  -422.005394    36     1      
iter:   3  03:51:13  -2.73  -1.72  -414.162525    4      1      
iter:   4  03:53:39  -3.31  -2.57  -414.110479    4      1      
iter:   5  03:56:05  -4.05  -2.91  -414.079985    3      1      
iter:   6  03:58:31  -4.13  -3.17  -414.068414    2      1      
iter:   7  04:00:57  -4.45  -3.53  -414.067823    3      1      
iter:   8  04:03:24  -4.39  -3.39  -414.076862    3      1      
iter:   9  04:05:50  -4.54  -3.12  -414.063550    3      1      
iter:  10  04:08:16  -4.72  -3.83  -414.063949    3      1      
iter:  11  04:10:42  -5.12  -3.93  -414.062861    3      1      
iter:  12  04:13:08  -5.39  -3.88  -414.063599    3      1      
iter:  13  04:15:34  -5.59  -4.06  -414.062972    3      1      
iter:  14  04:18:00  -5.91  -4.19  -414.063328    3      1      
iter:  15  04:20:28  -5.94  -4.10  -414.063095    2      1      
iter:  16  04:22:55  -6.22  -4.09  -414.063014    2      1      
iter:  17  04:25:21  -6.40  -4.55  -414.063083    2      1      
iter:  18  04:27:49  -6.75  -4.63  -414.062889    2      1      
iter:  19  04:30:15  -7.29  -4.63  -414.062972    2      1      
iter:  20  04:32:40  -7.50  -4.77  -414.062902    2      1      

Converged after 20 iterations.

Dipole moment: (-55.962450, -32.538100, 0.038107) |e|*Ang

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

Kinetic:        +20.377652
Potential:     -138.519434
External:        +0.000000
XC:            -305.639755
Entropy (-ST):   -1.565388
Local:          +10.501329
--------------------------
Free energy:   -414.845596
Extrapolated:  -414.062902

Fermi level: -6.50200

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57240    0.14869
  0   340     -6.55650    0.14066
  0   341     -6.55531    0.14005
  0   342     -6.52459    0.12361

  1   339     -6.47714    0.19475
  1   340     -6.42838    0.14393
  1   341     -6.39557    0.11400
  1   342     -6.38076    0.10190



Forces in eV/Ang:
  0 O     0.00000   -0.01718    1.17320
  1 Pt    0.00000   -0.00258   -0.37349
  2 Pt    0.00000   -0.01899   -0.43390
  3 O    -1.68321    0.00025   -0.71874
  4 O     1.68321    0.00025   -0.71874
  5 O     0.00000   -0.01233   -1.38519
  6 O     0.00000   -0.00257    1.76863
  7 Pt   -0.00000    0.01392    0.45196
  8 Pt    0.00000   -0.03816    0.75031
  9 O    -1.58145    0.00055    0.05177
 10 O     1.58145    0.00055    0.05177
 11 O     0.00000   -0.00897   -0.56541
 12 O    -0.00000    0.01135    0.14245
 13 Pt   -0.00000    0.27996   -0.04002
 14 Pt    0.00000   -0.01928    0.00774
 15 O    -0.00196    0.00979    0.00304
 16 O     0.00196    0.00979    0.00304
 17 O    -0.00000    0.01023   -1.04963
 18 O    -0.00000    0.00358    0.02524
 19 Pt    0.00000   -0.02169    0.13229
 20 Pt    0.00000   -0.02277    0.17046
 21 O    -0.21027    0.38040    0.22634
 22 O     0.21027    0.38040    0.22634
 23 O     0.00000   -0.01562   -0.08494
 24 O     0.00000   -0.00119    1.14915
 25 Pt   -0.00000    0.01669   -0.37702
 26 Pt    0.00000   -0.00020   -0.43454
 27 O    -1.69188    0.01339   -0.71792
 28 O     1.69188    0.01339   -0.71792
 29 O    -0.00000    0.04666   -1.38615
 30 O     0.00000   -0.00465    1.83423
 31 Pt   -0.00000    0.01917    0.51122
 32 Pt    0.00000   -0.14384    0.57391
 33 O    -1.61513   -0.01904    0.07065
 34 O     1.61513   -0.01904    0.07065
 35 O     0.00000   -0.03235   -0.52448
 36 O    -0.00000    0.21534   -0.11063
 37 Pt    0.00000   -0.32030   -0.04184
 38 Pt    0.00000   -0.00450   -0.01110
 39 O     0.00852    0.01149    0.01462
 40 O    -0.00852    0.01149    0.01462
 41 O     0.00000   -0.00614    0.02875
 42 O    -0.00000    0.03178   -0.01792
 43 Pt    0.00000   -0.01129    0.05063
 44 Pt    0.00000   -0.08156   -0.01094
 45 O    -0.14085   -0.38036    0.05366
 46 O     0.14085   -0.38036    0.05366
 47 O     0.00000   -0.02341   -0.05502
 48 O    -0.00000    0.02225    1.17113
 49 Pt    0.00000   -0.02224   -0.37569
 50 Pt   -0.00000    0.02109   -0.43530
 51 O    -1.69109   -0.01396   -0.71825
 52 O     1.69109   -0.01396   -0.71825
 53 O     0.00000   -0.01139   -1.40444
 54 O     0.00000   -0.00204    1.77604
 55 Pt    0.00000   -0.01222    0.51732
 56 Pt   -0.00000    0.12304    0.65058
 57 O    -1.61453    0.01383    0.09178
 58 O     1.61453    0.01383    0.09178
 59 O     0.00000   -0.02123   -0.51595
 60 O     0.00000   -0.20852   -0.11149
 61 Pt   -0.00000    0.01998   -0.09433
 62 Pt   -0.00000    0.01717   -0.00755
 63 O    -0.01590   -0.00710    0.00272
 64 O     0.01590   -0.00710    0.00272
 65 O     0.00000    0.00049    0.00189
 66 O     0.00000   -0.01350   -0.00354
 67 Pt   -0.00000    0.00849    0.02590
 68 Pt   -0.00000    0.14964    0.02758
 69 O    -0.00640    0.00638   -0.03258
 70 O     0.00640    0.00638   -0.03258
 71 O    -0.00000    0.00804   -0.04942
 72 N    -0.00000    1.12687    0.47576
 73 N     0.00000   -1.16366    0.09089

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.636366   23.983448    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.539318   23.820957    ( 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  04:39:10  -2.83   +inf  -414.277740    4      1      
iter:   2  04:41:36  -2.59  -2.44  -419.384629    3      1      
iter:   3  04:44:03  -3.01  -1.78  -414.149896    3      1      
iter:   4  04:46:31  -3.45  -2.72  -414.080464    3      1      
iter:   5  04:48:57  -3.92  -3.44  -414.072946    3      1      
iter:   6  04:51:23  -4.31  -3.46  -414.073837    3      1      
iter:   7  04:53:48  -4.79  -3.54  -414.071321    2      1      
iter:   8  04:56:14  -4.80  -3.42  -414.069116    3      1      
iter:   9  04:58:41  -4.62  -3.84  -414.068477    3      1      
iter:  10  05:01:08  -4.98  -3.76  -414.067039    3      1      
iter:  11  05:03:35  -5.67  -4.03  -414.067358    2      1      
iter:  12  05:06:01  -5.78  -4.18  -414.066980    2      1      
iter:  13  05:08:26  -5.79  -4.17  -414.067733    3      1      
iter:  14  05:10:52  -6.26  -4.06  -414.067367    2      1      
iter:  15  05:13:18  -6.47  -4.17  -414.067327    2      1      
iter:  16  05:15:44  -6.31  -4.52  -414.067491    2      1      
iter:  17  05:18:10  -6.48  -4.38  -414.067228    2      1      
iter:  18  05:20:35  -7.07  -4.72  -414.067248    2      1      
iter:  19  05:23:01  -7.41  -4.86  -414.067139    2      1      

Converged after 19 iterations.

Dipole moment: (-55.962486, -32.539644, 0.038863) |e|*Ang

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

Kinetic:        +18.628699
Potential:     -137.137214
External:        +0.000000
XC:            -305.274507
Entropy (-ST):   -1.565457
Local:          +10.498612
--------------------------
Free energy:   -414.849868
Extrapolated:  -414.067139

Fermi level: -6.50160

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57269    0.14902
  0   340     -6.55609    0.14066
  0   341     -6.55487    0.14003
  0   342     -6.52431    0.12368

  1   339     -6.47671    0.19471
  1   340     -6.42796    0.14391
  1   341     -6.39539    0.11418
  1   342     -6.38002    0.10164



Forces in eV/Ang:
  0 O     0.00000   -0.01715    1.17397
  1 Pt    0.00000   -0.00259   -0.37278
  2 Pt    0.00000   -0.01899   -0.43300
  3 O    -1.68312    0.00025   -0.71827
  4 O     1.68312    0.00025   -0.71827
  5 O     0.00000   -0.01230   -1.38510
  6 O     0.00000   -0.00251    1.76854
  7 Pt   -0.00000    0.01382    0.45187
  8 Pt    0.00000   -0.03807    0.75013
  9 O    -1.58129    0.00052    0.05219
 10 O     1.58129    0.00052    0.05219
 11 O     0.00000   -0.00896   -0.56568
 12 O    -0.00000    0.01109    0.14299
 13 Pt   -0.00000    0.27927   -0.03848
 14 Pt    0.00000   -0.01917    0.00906
 15 O    -0.00141    0.00967    0.00383
 16 O     0.00141    0.00967    0.00383
 17 O    -0.00000    0.00998   -1.04703
 18 O    -0.00000    0.00418    0.02559
 19 Pt    0.00000   -0.02275    0.12353
 20 Pt    0.00000   -0.01342    0.18082
 21 O    -0.21036    0.37827    0.21914
 22 O     0.21036    0.37827    0.21914
 23 O     0.00000   -0.01858   -0.08901
 24 O     0.00000   -0.00120    1.14994
 25 Pt   -0.00000    0.01667   -0.37629
 26 Pt    0.00000   -0.00019   -0.43362
 27 O    -1.69178    0.01340   -0.71743
 28 O     1.69178    0.01340   -0.71743
 29 O    -0.00000    0.04670   -1.38597
 30 O     0.00000   -0.00475    1.83416
 31 Pt   -0.00000    0.01922    0.51102
 32 Pt    0.00000   -0.14423    0.57328
 33 O    -1.61501   -0.01902    0.07107
 34 O     1.61501   -0.01902    0.07107
 35 O     0.00000   -0.03236   -0.52469
 36 O    -0.00000    0.21477   -0.10938
 37 Pt    0.00000   -0.31879   -0.03938
 38 Pt    0.00000   -0.00469   -0.00997
 39 O     0.00900    0.01161    0.01585
 40 O    -0.00900    0.01161    0.01585
 41 O     0.00000   -0.00644    0.02532
 42 O    -0.00000    0.03053   -0.01705
 43 Pt    0.00000   -0.01078    0.04025
 44 Pt    0.00000   -0.08838   -0.00729
 45 O    -0.13896   -0.37708    0.04371
 46 O     0.13896   -0.37708    0.04371
 47 O     0.00000   -0.02024   -0.05895
 48 O    -0.00000    0.02223    1.17190
 49 Pt    0.00000   -0.02221   -0.37496
 50 Pt   -0.00000    0.02109   -0.43438
 51 O    -1.69098   -0.01396   -0.71779
 52 O     1.69098   -0.01396   -0.71779
 53 O     0.00000   -0.01146   -1.40436
 54 O     0.00000   -0.00199    1.77592
 55 Pt    0.00000   -0.01217    0.51726
 56 Pt   -0.00000    0.12333    0.65036
 57 O    -1.61435    0.01384    0.09222
 58 O     1.61435    0.01384    0.09222
 59 O     0.00000   -0.02121   -0.51618
 60 O     0.00000   -0.20780   -0.11073
 61 Pt   -0.00000    0.01910   -0.09256
 62 Pt   -0.00000    0.01722   -0.00709
 63 O    -0.01552   -0.00707    0.00336
 64 O     0.01552   -0.00707    0.00336
 65 O     0.00000    0.00058   -0.00012
 66 O     0.00000   -0.01301   -0.00298
 67 Pt   -0.00000    0.00885    0.01874
 68 Pt   -0.00000    0.14945    0.01578
 69 O    -0.00709    0.00721   -0.03839
 70 O     0.00709    0.00721   -0.03839
 71 O    -0.00000    0.00792   -0.05346
 72 N     0.00000   -0.41950    0.33071
 73 N    -0.00000    0.35901    0.40004

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.631076   23.987446    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.534750   23.819425    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:28:19  -3.85   +inf  -414.074396    3      1      
iter:   2  05:30:47  -4.47  -3.52  -414.076527    3      1      
iter:   3  05:33:13  -4.66  -3.02  -414.071159    3      1      
iter:   4  05:35:40  -5.18  -3.30  -414.068888    3      1      
iter:   5  05:38:07  -5.36  -4.49  -414.068271    2      1      
iter:   6  05:40:33  -5.74  -4.16  -414.068507    2      1      
iter:   7  05:42:59  -6.48  -4.76  -414.068582    2      1      
iter:   8  05:45:25  -6.74  -4.93  -414.068596    2      1      
iter:   9  05:47:51  -6.72  -5.00  -414.068612    2      1      
iter:  10  05:50:18  -7.37  -4.98  -414.068566    2      1      
iter:  11  05:52:45  -7.87  -5.39  -414.068571    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962494, -32.540604, 0.039291) |e|*Ang

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

Kinetic:        +18.539329
Potential:     -137.056701
External:        +0.000000
XC:            -305.268964
Entropy (-ST):   -1.565283
Local:          +10.500406
--------------------------
Free energy:   -414.851213
Extrapolated:  -414.068571

Fermi level: -6.50120

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57225    0.14900
  0   340     -6.55573    0.14068
  0   341     -6.55452    0.14005
  0   342     -6.52388    0.12365

  1   339     -6.47623    0.19462
  1   340     -6.42762    0.14397
  1   341     -6.39492    0.11412
  1   342     -6.37962    0.10163



Forces in eV/Ang:
  0 O     0.00000   -0.01714    1.17368
  1 Pt    0.00000   -0.00255   -0.37372
  2 Pt    0.00000   -0.01898   -0.43379
  3 O    -1.68315    0.00025   -0.71871
  4 O     1.68315    0.00025   -0.71871
  5 O     0.00000   -0.01230   -1.38566
  6 O     0.00000   -0.00252    1.76746
  7 Pt   -0.00000    0.01383    0.45133
  8 Pt    0.00000   -0.03816    0.75001
  9 O    -1.58103    0.00054    0.05180
 10 O     1.58103    0.00054    0.05180
 11 O     0.00000   -0.00899   -0.56553
 12 O    -0.00000    0.01109    0.14275
 13 Pt   -0.00000    0.27859   -0.03839
 14 Pt    0.00000   -0.01922    0.00924
 15 O    -0.00136    0.00962    0.00370
 16 O     0.00136    0.00962    0.00370
 17 O    -0.00000    0.00970   -1.04425
 18 O    -0.00000    0.00402    0.02559
 19 Pt    0.00000   -0.02224    0.12677
 20 Pt    0.00000   -0.01471    0.17586
 21 O    -0.20987    0.37841    0.22143
 22 O     0.20987    0.37841    0.22143
 23 O     0.00000   -0.01717   -0.08752
 24 O     0.00000   -0.00120    1.14965
 25 Pt   -0.00000    0.01664   -0.37724
 26 Pt    0.00000   -0.00020   -0.43442
 27 O    -1.69182    0.01339   -0.71789
 28 O     1.69182    0.01339   -0.71789
 29 O    -0.00000    0.04672   -1.38657
 30 O     0.00000   -0.00477    1.83304
 31 Pt   -0.00000    0.01921    0.51050
 32 Pt    0.00000   -0.14425    0.57308
 33 O    -1.61472   -0.01905    0.07066
 34 O     1.61472   -0.01905    0.07066
 35 O     0.00000   -0.03238   -0.52451
 36 O    -0.00000    0.21466   -0.10955
 37 Pt    0.00000   -0.31774   -0.03946
 38 Pt    0.00000   -0.00458   -0.00981
 39 O     0.00907    0.01164    0.01553
 40 O    -0.00907    0.01164    0.01553
 41 O     0.00000   -0.00635    0.02609
 42 O    -0.00000    0.03069   -0.01728
 43 Pt    0.00000   -0.01088    0.04480
 44 Pt    0.00000   -0.08722   -0.00459
 45 O    -0.13992   -0.37601    0.04842
 46 O     0.13992   -0.37601    0.04842
 47 O     0.00000   -0.02166   -0.05719
 48 O    -0.00000    0.02222    1.17161
 49 Pt    0.00000   -0.02222   -0.37593
 50 Pt   -0.00000    0.02109   -0.43518
 51 O    -1.69102   -0.01396   -0.71826
 52 O     1.69102   -0.01396   -0.71826
 53 O     0.00000   -0.01147   -1.40495
 54 O     0.00000   -0.00196    1.77489
 55 Pt    0.00000   -0.01216    0.51676
 56 Pt   -0.00000    0.12345    0.65013
 57 O    -1.61405    0.01385    0.09185
 58 O     1.61405    0.01385    0.09185
 59 O     0.00000   -0.02118   -0.51600
 60 O     0.00000   -0.20770   -0.11090
 61 Pt   -0.00000    0.01877   -0.09223
 62 Pt   -0.00000    0.01717   -0.00670
 63 O    -0.01546   -0.00706    0.00314
 64 O     0.01546   -0.00706    0.00314
 65 O     0.00000    0.00054    0.00189
 66 O     0.00000   -0.01298   -0.00304
 67 Pt   -0.00000    0.00839    0.02276
 68 Pt   -0.00000    0.14954    0.01992
 69 O    -0.00709    0.00642   -0.03563
 70 O     0.00709    0.00642   -0.03563
 71 O    -0.00000    0.00795   -0.05149
 72 N     0.00000   -0.40158    0.30324
 73 N    -0.00000    0.32070    0.36523

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.623094   23.995774    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.528079   23.817636    ( 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  05:58:17  -3.43   +inf  -414.071944    3      1      
iter:   2  06:00:43  -4.19  -3.69  -414.088292    2      1      
iter:   3  06:03:09  -4.63  -3.00  -414.071554    2      1      
iter:   4  06:05:36  -4.83  -4.34  -414.072794    2      1      
iter:   5  06:08:03  -5.07  -4.02  -414.071147    3      1      
iter:   6  06:10:30  -5.74  -4.35  -414.071592    2      1      
iter:   7  06:12:56  -6.21  -4.66  -414.071607    2      1      
iter:   8  06:15:21  -6.16  -4.59  -414.071706    2      1      
iter:   9  06:17:48  -6.20  -3.78  -414.071697    2      1      
iter:  10  06:20:15  -6.68  -4.51  -414.071593    2      1      
iter:  11  06:22:40  -7.36  -5.16  -414.071648    2      1      
iter:  12  06:25:08  -7.54  -5.04  -414.071459    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962493, -32.542080, 0.040121) |e|*Ang

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

Kinetic:        +18.479551
Potential:     -137.011849
External:        +0.000000
XC:            -305.256668
Entropy (-ST):   -1.565487
Local:          +10.500250
--------------------------
Free energy:   -414.854203
Extrapolated:  -414.071459

Fermi level: -6.50036

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57157    0.14908
  0   340     -6.55484    0.14065
  0   341     -6.55362    0.14002
  0   342     -6.52315    0.12372

  1   339     -6.47551    0.19475
  1   340     -6.42670    0.14389
  1   341     -6.39404    0.11408
  1   342     -6.37891    0.10173



Forces in eV/Ang:
  0 O     0.00000   -0.01717    1.17376
  1 Pt    0.00000   -0.00252   -0.37292
  2 Pt    0.00000   -0.01899   -0.43305
  3 O    -1.68286    0.00020   -0.71852
  4 O     1.68286    0.00020   -0.71852
  5 O     0.00000   -0.01225   -1.38527
  6 O     0.00000   -0.00243    1.76887
  7 Pt   -0.00000    0.01390    0.45166
  8 Pt    0.00000   -0.03818    0.75040
  9 O    -1.58137    0.00065    0.05192
 10 O     1.58137    0.00065    0.05192
 11 O     0.00000   -0.00897   -0.56586
 12 O    -0.00000    0.01085    0.14191
 13 Pt   -0.00000    0.27748   -0.03992
 14 Pt    0.00000   -0.01941    0.00788
 15 O    -0.00180    0.00951    0.00331
 16 O     0.00180    0.00951    0.00331
 17 O    -0.00000    0.00907   -1.04247
 18 O    -0.00000    0.00420    0.02544
 19 Pt    0.00000   -0.02256    0.12571
 20 Pt    0.00000   -0.01346    0.17595
 21 O    -0.20928    0.37772    0.22154
 22 O     0.20928    0.37772    0.22154
 23 O     0.00000   -0.01734   -0.08746
 24 O     0.00000   -0.00115    1.14974
 25 Pt   -0.00000    0.01662   -0.37637
 26 Pt    0.00000   -0.00014   -0.43375
 27 O    -1.69151    0.01344   -0.71769
 28 O     1.69151    0.01344   -0.71769
 29 O    -0.00000    0.04670   -1.38615
 30 O     0.00000   -0.00492    1.83416
 31 Pt   -0.00000    0.01914    0.51077
 32 Pt    0.00000   -0.14453    0.57322
 33 O    -1.61507   -0.01913    0.07073
 34 O     1.61507   -0.01913    0.07073
 35 O     0.00000   -0.03243   -0.52477
 36 O    -0.00000    0.21418   -0.10966
 37 Pt    0.00000   -0.31605   -0.04074
 38 Pt    0.00000   -0.00425   -0.01082
 39 O     0.00875    0.01169    0.01508
 40 O    -0.00875    0.01169    0.01508
 41 O     0.00000   -0.00618    0.02263
 42 O    -0.00000    0.03081   -0.01762
 43 Pt    0.00000   -0.01093    0.04441
 44 Pt    0.00000   -0.08663   -0.00347
 45 O    -0.14060   -0.37393    0.05055
 46 O     0.14060   -0.37393    0.05055
 47 O     0.00000   -0.02152   -0.05702
 48 O    -0.00000    0.02219    1.17169
 49 Pt    0.00000   -0.02223   -0.37520
 50 Pt   -0.00000    0.02105   -0.43457
 51 O    -1.69077   -0.01395   -0.71808
 52 O     1.69077   -0.01395   -0.71808
 53 O     0.00000   -0.01150   -1.40457
 54 O     0.00000   -0.00190    1.77593
 55 Pt    0.00000   -0.01217    0.51708
 56 Pt   -0.00000    0.12373    0.65041
 57 O    -1.61431    0.01381    0.09202
 58 O     1.61431    0.01381    0.09202
 59 O     0.00000   -0.02114   -0.51615
 60 O     0.00000   -0.20699   -0.11090
 61 Pt   -0.00000    0.01829   -0.09302
 62 Pt   -0.00000    0.01704   -0.00763
 63 O    -0.01588   -0.00700    0.00290
 64 O     0.01588   -0.00700    0.00290
 65 O     0.00000    0.00036   -0.00129
 66 O     0.00000   -0.01330   -0.00316
 67 Pt   -0.00000    0.00870    0.02208
 68 Pt   -0.00000    0.14944    0.01953
 69 O    -0.00686    0.00592   -0.03518
 70 O     0.00686    0.00592   -0.03518
 71 O    -0.00000    0.00796   -0.05142
 72 N     0.00000   -0.48600    0.24768
 73 N    -0.00000    0.39969    0.35281

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    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    3.597339   24.019392    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.507468   23.812321    ( 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  06:30:37  -2.48   +inf  -414.097610    3      1      
iter:   2  06:33:03  -3.24  -3.11  -414.207903    3      1      
iter:   3  06:35:29  -3.65  -2.52  -414.092370    3      1      
iter:   4  06:37:55  -4.05  -2.99  -414.082527    3      1      
iter:   5  06:40:22  -4.10  -3.73  -414.078582    3      1      
iter:   6  06:42:48  -4.30  -3.48  -414.078498    3      1      
iter:   7  06:45:14  -5.12  -4.07  -414.079187    2      1      
iter:   8  06:47:40  -5.40  -4.31  -414.078818    3      1      
iter:   9  06:50:08  -5.29  -4.05  -414.078809    3      1      
iter:  10  06:52:34  -5.92  -3.95  -414.079869    3      1      
iter:  11  06:55:01  -6.17  -4.08  -414.078980    3      1      
iter:  12  06:57:28  -6.63  -4.48  -414.079045    2      1      
iter:  13  06:59:55  -6.66  -4.57  -414.078873    2      1      
iter:  14  07:02:22  -6.74  -4.72  -414.079014    2      1      
iter:  15  07:04:48  -7.08  -4.88  -414.078927    2      1      
iter:  16  07:07:13  -7.53  -4.89  -414.078827    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962526, -32.546278, 0.040923) |e|*Ang

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

Kinetic:        +18.420715
Potential:     -136.967863
External:        +0.000000
XC:            -305.249534
Entropy (-ST):   -1.565388
Local:          +10.500548
--------------------------
Free energy:   -414.861521
Extrapolated:  -414.078827

Fermi level: -6.49928

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57022    0.14895
  0   340     -6.55404    0.14080
  0   341     -6.55287    0.14019
  0   342     -6.52201    0.12369

  1   339     -6.47461    0.19495
  1   340     -6.42583    0.14409
  1   341     -6.39271    0.11387
  1   342     -6.37804    0.10190



Forces in eV/Ang:
  0 O     0.00000   -0.01719    1.17309
  1 Pt    0.00000   -0.00245   -0.37280
  2 Pt    0.00000   -0.01900   -0.43327
  3 O    -1.68110    0.00025   -0.71859
  4 O     1.68110    0.00025   -0.71859
  5 O     0.00000   -0.01219   -1.38587
  6 O     0.00000   -0.00254    1.77464
  7 Pt   -0.00000    0.01389    0.45354
  8 Pt    0.00000   -0.03855    0.75247
  9 O    -1.58107    0.00052    0.05210
 10 O     1.58107    0.00052    0.05210
 11 O     0.00000   -0.00899   -0.56531
 12 O    -0.00000    0.01001    0.14083
 13 Pt   -0.00000    0.27478   -0.03840
 14 Pt    0.00000   -0.01925    0.00875
 15 O    -0.00190    0.00976    0.00318
 16 O     0.00190    0.00976    0.00318
 17 O    -0.00000    0.00806   -1.02612
 18 O    -0.00000    0.00372    0.02463
 19 Pt    0.00000   -0.02258    0.12761
 20 Pt    0.00000   -0.01462    0.17452
 21 O    -0.20936    0.37634    0.22266
 22 O     0.20936    0.37634    0.22266
 23 O     0.00000   -0.01747   -0.08544
 24 O     0.00000   -0.00117    1.14907
 25 Pt   -0.00000    0.01657   -0.37628
 26 Pt    0.00000   -0.00022   -0.43378
 27 O    -1.68976    0.01340   -0.71779
 28 O     1.68976    0.01340   -0.71779
 29 O    -0.00000    0.04684   -1.38633
 30 O     0.00000   -0.00470    1.84025
 31 Pt   -0.00000    0.01914    0.51271
 32 Pt    0.00000   -0.14452    0.57444
 33 O    -1.61472   -0.01900    0.07102
 34 O     1.61472   -0.01900    0.07102
 35 O     0.00000   -0.03238   -0.52434
 36 O    -0.00000    0.21229   -0.10897
 37 Pt    0.00000   -0.31176   -0.03909
 38 Pt    0.00000   -0.00460   -0.00968
 39 O     0.00863    0.01156    0.01517
 40 O    -0.00863    0.01156    0.01517
 41 O     0.00000   -0.00638    0.02138
 42 O    -0.00000    0.03061   -0.01792
 43 Pt    0.00000   -0.01060    0.04738
 44 Pt    0.00000   -0.08201   -0.00518
 45 O    -0.14170   -0.36922    0.05612
 46 O     0.14170   -0.36922    0.05612
 47 O     0.00000   -0.02175   -0.05486
 48 O    -0.00000    0.02224    1.17104
 49 Pt    0.00000   -0.02224   -0.37495
 50 Pt   -0.00000    0.02113   -0.43459
 51 O    -1.68894   -0.01397   -0.71814
 52 O     1.68894   -0.01397   -0.71814
 53 O     0.00000   -0.01169   -1.40462
 54 O     0.00000   -0.00201    1.78216
 55 Pt    0.00000   -0.01216    0.51882
 56 Pt   -0.00000    0.12407    0.65156
 57 O    -1.61413    0.01383    0.09226
 58 O     1.61413    0.01383    0.09226
 59 O     0.00000   -0.02118   -0.51583
 60 O     0.00000   -0.20427   -0.11048
 61 Pt   -0.00000    0.01691   -0.09017
 62 Pt   -0.00000    0.01724   -0.00663
 63 O    -0.01574   -0.00714    0.00293
 64 O     0.01574   -0.00714    0.00293
 65 O     0.00000   -0.00007    0.00502
 66 O     0.00000   -0.01268   -0.00382
 67 Pt   -0.00000    0.00826    0.02474
 68 Pt   -0.00000    0.15007    0.02309
 69 O    -0.00788    0.00501   -0.03353
 70 O     0.00788    0.00501   -0.03353
 71 O    -0.00000    0.00844   -0.04951
 72 N     0.00000   -0.48227    0.22035
 73 N    -0.00000    0.36159    0.39309

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   N     O           
             O     Pt              
        O     O      O             
         PtO Pt                    
               OPt OPt   O         
       Pt  PO     O  O             
            OO  O      O           
                  Pt Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         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    3.571197   24.043154    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.486752   23.807588    ( 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  07:12:34  -2.49   +inf  -414.172655    3      1      
iter:   2  07:15:01  -2.84  -2.64  -416.269294    3      1      
iter:   3  07:17:27  -3.26  -1.95  -414.103188    3      1      
iter:   4  07:19:53  -3.69  -2.96  -414.093268    3      1      
iter:   5  07:22:19  -4.12  -3.54  -414.087237    3      1      
iter:   6  07:24:45  -4.17  -3.62  -414.086758    2      1      
iter:   7  07:27:11  -4.86  -3.65  -414.087375    3      1      
iter:   8  07:29:37  -5.15  -3.75  -414.087694    3      1      
iter:   9  07:32:02  -5.54  -4.07  -414.087745    2      1      
iter:  10  07:34:30  -5.44  -3.99  -414.086624    3      1      
iter:  11  07:36:56  -5.54  -4.12  -414.088045    2      1      
iter:  12  07:39:23  -6.11  -4.27  -414.087398    2      1      
iter:  13  07:41:49  -6.55  -4.70  -414.087489    2      1      
iter:  14  07:44:16  -6.58  -4.46  -414.087462    2      1      
iter:  15  07:46:42  -6.50  -3.90  -414.087379    2      1      
iter:  16  07:49:08  -7.07  -4.68  -414.087308    2      1      
iter:  17  07:51:34  -7.24  -4.85  -414.087368    2      1      
iter:  18  07:54:00  -8.14  -5.37  -414.087362    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962531, -32.550985, 0.044434) |e|*Ang

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

Kinetic:        +18.334530
Potential:     -136.904267
External:        +0.000000
XC:            -305.232952
Entropy (-ST):   -1.565135
Local:          +10.497895
--------------------------
Free energy:   -414.869929
Extrapolated:  -414.087362

Fermi level: -6.49716

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56858    0.14919
  0   340     -6.55167    0.14067
  0   341     -6.55046    0.14004
  0   342     -6.52011    0.12380

  1   339     -6.47221    0.19464
  1   340     -6.42354    0.14393
  1   341     -6.39027    0.11361
  1   342     -6.37615    0.10208



Forces in eV/Ang:
  0 O     0.00000   -0.01721    1.17335
  1 Pt    0.00000   -0.00238   -0.37389
  2 Pt    0.00000   -0.01899   -0.43447
  3 O    -1.68343    0.00024   -0.71860
  4 O     1.68343    0.00024   -0.71860
  5 O     0.00000   -0.01211   -1.38545
  6 O     0.00000   -0.00259    1.76759
  7 Pt   -0.00000    0.01387    0.45152
  8 Pt    0.00000   -0.03879    0.75160
  9 O    -1.58111    0.00047    0.05208
 10 O     1.58111    0.00047    0.05208
 11 O     0.00000   -0.00896   -0.56530
 12 O    -0.00000    0.00978    0.14007
 13 Pt   -0.00000    0.27246   -0.03894
 14 Pt    0.00000   -0.01925    0.00840
 15 O    -0.00131    0.00977    0.00353
 16 O     0.00131    0.00977    0.00353
 17 O    -0.00000    0.00666   -1.01806
 18 O    -0.00000    0.00328    0.02514
 19 Pt    0.00000   -0.02291    0.12522
 20 Pt    0.00000   -0.01324    0.16888
 21 O    -0.20820    0.37448    0.22215
 22 O     0.20820    0.37448    0.22215
 23 O     0.00000   -0.01740   -0.08502
 24 O     0.00000   -0.00115    1.14934
 25 Pt   -0.00000    0.01651   -0.37735
 26 Pt    0.00000   -0.00022   -0.43495
 27 O    -1.69208    0.01341   -0.71780
 28 O     1.69208    0.01341   -0.71780
 29 O    -0.00000    0.04689   -1.38594
 30 O     0.00000   -0.00472    1.83308
 31 Pt   -0.00000    0.01916    0.51081
 32 Pt    0.00000   -0.14471    0.57307
 33 O    -1.61469   -0.01895    0.07105
 34 O     1.61469   -0.01895    0.07105
 35 O     0.00000   -0.03238   -0.52423
 36 O    -0.00000    0.21143   -0.10920
 37 Pt    0.00000   -0.30811   -0.03971
 38 Pt    0.00000   -0.00452   -0.01016
 39 O     0.00916    0.01160    0.01542
 40 O    -0.00916    0.01160    0.01542
 41 O     0.00000   -0.00655    0.01317
 42 O    -0.00000    0.03060   -0.01706
 43 Pt    0.00000   -0.01024    0.04782
 44 Pt    0.00000   -0.07960   -0.00229
 45 O    -0.14329   -0.36424    0.06211
 46 O     0.14329   -0.36424    0.06211
 47 O     0.00000   -0.02160   -0.05414
 48 O    -0.00000    0.02224    1.17131
 49 Pt    0.00000   -0.02226   -0.37607
 50 Pt   -0.00000    0.02113   -0.43580
 51 O    -1.69127   -0.01397   -0.71815
 52 O     1.69127   -0.01397   -0.71815
 53 O     0.00000   -0.01181   -1.40410
 54 O     0.00000   -0.00194    1.77510
 55 Pt    0.00000   -0.01217    0.51692
 56 Pt   -0.00000    0.12450    0.65011
 57 O    -1.61412    0.01383    0.09233
 58 O     1.61412    0.01383    0.09233
 59 O     0.00000   -0.02119   -0.51578
 60 O     0.00000   -0.20321   -0.11055
 61 Pt   -0.00000    0.01581   -0.09041
 62 Pt   -0.00000    0.01716   -0.00697
 63 O    -0.01532   -0.00717    0.00310
 64 O     0.01532   -0.00717    0.00310
 65 O     0.00000    0.00001    0.00142
 66 O     0.00000   -0.01228   -0.00319
 67 Pt   -0.00000    0.00808    0.02505
 68 Pt   -0.00000    0.14972    0.02183
 69 O    -0.00803    0.00406   -0.03273
 70 O     0.00803    0.00406   -0.03273
 71 O    -0.00000    0.00823   -0.04921
 72 N     0.00000   -0.56726    0.16133
 73 N    -0.00000    0.44418    0.39314

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   N     O           
             O     Pt              
        O     O      O             
         PtO Pt                    
               OPt OPt   O         
       Pt  PO     O  O             
             O  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         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    3.544794   24.066085    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.465995   23.802934    ( 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  07:59:21  -2.50   +inf  -414.098464    3      1      
iter:   2  08:01:48  -3.30  -3.42  -414.126343    3      1      
iter:   3  08:04:14  -3.77  -2.80  -414.096752    3      1      
iter:   4  08:06:40  -4.03  -3.39  -414.100534    3      1      
iter:   5  08:09:05  -4.02  -3.45  -414.093617    3      1      
iter:   6  08:11:30  -4.77  -3.73  -414.094014    2      1      
iter:   7  08:13:55  -5.12  -4.07  -414.094445    2      1      
iter:   8  08:16:21  -5.10  -4.25  -414.094619    3      1      
iter:   9  08:18:46  -5.59  -3.99  -414.094468    2      1      
iter:  10  08:21:12  -5.82  -4.05  -414.094177    2      1      
iter:  11  08:23:38  -6.36  -4.37  -414.094344    2      1      
iter:  12  08:26:04  -6.59  -4.63  -414.094083    2      1      
iter:  13  08:28:29  -6.92  -4.64  -414.094291    2      1      
iter:  14  08:30:55  -6.98  -4.74  -414.094127    2      1      
iter:  15  08:33:20  -7.58  -4.90  -414.094154    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962533, -32.555541, 0.046278) |e|*Ang

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

Kinetic:        +18.187852
Potential:     -136.789933
External:        +0.000000
XC:            -305.206501
Entropy (-ST):   -1.564994
Local:          +10.496925
--------------------------
Free energy:   -414.876651
Extrapolated:  -414.094154

Fermi level: -6.49527

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56653    0.14910
  0   340     -6.54999    0.14078
  0   341     -6.54881    0.14017
  0   342     -6.51821    0.12380

  1   339     -6.47040    0.19473
  1   340     -6.42180    0.14407
  1   341     -6.38818    0.11343
  1   342     -6.37443    0.10222



Forces in eV/Ang:
  0 O     0.00000   -0.01723    1.17333
  1 Pt    0.00000   -0.00238   -0.37387
  2 Pt    0.00000   -0.01899   -0.43405
  3 O    -1.68209    0.00019   -0.71868
  4 O     1.68209    0.00019   -0.71868
  5 O     0.00000   -0.01204   -1.38615
  6 O     0.00000   -0.00258    1.77164
  7 Pt   -0.00000    0.01392    0.45252
  8 Pt    0.00000   -0.03903    0.75286
  9 O    -1.58087    0.00052    0.05176
 10 O     1.58087    0.00052    0.05176
 11 O     0.00000   -0.00897   -0.56528
 12 O    -0.00000    0.00925    0.13873
 13 Pt   -0.00000    0.26973   -0.03806
 14 Pt    0.00000   -0.01931    0.00889
 15 O    -0.00144    0.00982    0.00347
 16 O     0.00144    0.00982    0.00347
 17 O    -0.00000    0.00541   -1.00412
 18 O    -0.00000    0.00321    0.02451
 19 Pt    0.00000   -0.02336    0.12445
 20 Pt    0.00000   -0.01213    0.16633
 21 O    -0.20782    0.37297    0.22140
 22 O     0.20782    0.37297    0.22140
 23 O     0.00000   -0.01751   -0.08463
 24 O     0.00000   -0.00107    1.14934
 25 Pt   -0.00000    0.01652   -0.37730
 26 Pt    0.00000   -0.00013   -0.43459
 27 O    -1.69075    0.01348   -0.71789
 28 O     1.69075    0.01348   -0.71789
 29 O    -0.00000    0.04692   -1.38659
 30 O     0.00000   -0.00479    1.83657
 31 Pt   -0.00000    0.01909    0.51179
 32 Pt    0.00000   -0.14507    0.57360
 33 O    -1.61441   -0.01901    0.07075
 34 O     1.61441   -0.01901    0.07075
 35 O     0.00000   -0.03242   -0.52411
 36 O    -0.00000    0.21000   -0.10902
 37 Pt    0.00000   -0.30418   -0.03870
 38 Pt    0.00000   -0.00448   -0.00939
 39 O     0.00908    0.01157    0.01540
 40 O    -0.00908    0.01157    0.01540
 41 O     0.00000   -0.00629    0.01300
 42 O    -0.00000    0.03028   -0.01745
 43 Pt    0.00000   -0.00995    0.04899
 44 Pt    0.00000   -0.07775   -0.00121
 45 O    -0.14527   -0.35999    0.06737
 46 O     0.14527   -0.35999    0.06737
 47 O     0.00000   -0.02155   -0.05356
 48 O    -0.00000    0.02216    1.17131
 49 Pt    0.00000   -0.02228   -0.37612
 50 Pt   -0.00000    0.02103   -0.43548
 51 O    -1.68998   -0.01398   -0.71823
 52 O     1.68998   -0.01398   -0.71823
 53 O     0.00000   -0.01191   -1.40466
 54 O     0.00000   -0.00187    1.77868
 55 Pt    0.00000   -0.01216    0.51784
 56 Pt   -0.00000    0.12507    0.65066
 57 O    -1.61381    0.01383    0.09206
 58 O     1.61381    0.01383    0.09206
 59 O     0.00000   -0.02114   -0.51566
 60 O     0.00000   -0.20128   -0.11030
 61 Pt   -0.00000    0.01480   -0.08849
 62 Pt   -0.00000    0.01718   -0.00621
 63 O    -0.01537   -0.00719    0.00298
 64 O     0.01537   -0.00719    0.00298
 65 O     0.00000   -0.00022    0.00506
 66 O     0.00000   -0.01192   -0.00358
 67 Pt   -0.00000    0.00812    0.02598
 68 Pt   -0.00000    0.14989    0.02165
 69 O    -0.00873    0.00322   -0.03217
 70 O     0.00873    0.00322   -0.03217
 71 O    -0.00000    0.00832   -0.04895
 72 N     0.00000   -0.66067    0.12371
 73 N    -0.00000    0.58457    0.39158

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 OPt   O         
       Pt  PO     O  O             
             O  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         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    3.518323   24.088392    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.445969   23.798354    ( 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  08:41:28  -2.51   +inf  -414.132729    3      1      
iter:   2  08:43:54  -3.06  -2.81  -415.097636    3      1      
iter:   3  08:46:20  -3.45  -2.11  -414.104353    3      1      
iter:   4  08:48:46  -3.92  -3.31  -414.104136    3      1      
iter:   5  08:51:12  -4.04  -3.70  -414.098335    3      1      
iter:   6  08:53:38  -4.27  -3.44  -414.100087    2      1      
iter:   7  08:56:03  -5.10  -3.81  -414.100282    2      1      
iter:   8  08:58:29  -5.36  -4.08  -414.100495    3      1      
iter:   9  09:00:55  -5.51  -3.97  -414.102053    2      1      
iter:  10  09:03:22  -5.37  -3.48  -414.100476    3      1      
iter:  11  09:05:47  -6.01  -4.51  -414.100126    2      1      
iter:  12  09:08:13  -6.53  -4.46  -414.100653    2      1      
iter:  13  09:10:39  -6.50  -4.45  -414.100264    2      1      
iter:  14  09:13:06  -6.66  -4.80  -414.100224    2      1      
iter:  15  09:15:32  -7.11  -4.87  -414.100274    2      1      
iter:  16  09:17:59  -7.62  -5.18  -414.100303    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962559, -32.560413, 0.050092) |e|*Ang

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

Kinetic:        +18.066480
Potential:     -136.695717
External:        +0.000000
XC:            -305.186706
Entropy (-ST):   -1.564951
Local:          +10.498116
--------------------------
Free energy:   -414.882778
Extrapolated:  -414.100303

Fermi level: -6.49271

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56445    0.14934
  0   340     -6.54716    0.14063
  0   341     -6.54593    0.14000
  0   342     -6.51589    0.12393

  1   339     -6.46770    0.19457
  1   340     -6.41902    0.14386
  1   341     -6.38534    0.11320
  1   342     -6.37209    0.10238



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17336
  1 Pt    0.00000   -0.00223   -0.37454
  2 Pt    0.00000   -0.01900   -0.43465
  3 O    -1.68386    0.00024   -0.71863
  4 O     1.68386    0.00024   -0.71863
  5 O     0.00000   -0.01197   -1.38586
  6 O     0.00000   -0.00262    1.76591
  7 Pt   -0.00000    0.01392    0.45092
  8 Pt    0.00000   -0.03925    0.75248
  9 O    -1.58102    0.00048    0.05199
 10 O     1.58102    0.00048    0.05199
 11 O     0.00000   -0.00896   -0.56513
 12 O    -0.00000    0.00898    0.13802
 13 Pt   -0.00000    0.26703   -0.03925
 14 Pt    0.00000   -0.01930    0.00771
 15 O    -0.00097    0.00980    0.00365
 16 O     0.00097    0.00980    0.00365
 17 O    -0.00000    0.00407   -0.99718
 18 O    -0.00000    0.00299    0.02530
 19 Pt    0.00000   -0.02367    0.12241
 20 Pt    0.00000   -0.01053    0.16223
 21 O    -0.20649    0.37075    0.22163
 22 O     0.20649    0.37075    0.22163
 23 O     0.00000   -0.01731   -0.08334
 24 O     0.00000   -0.00110    1.14939
 25 Pt   -0.00000    0.01639   -0.37795
 26 Pt    0.00000   -0.00023   -0.43506
 27 O    -1.69250    0.01342   -0.71785
 28 O     1.69250    0.01342   -0.71785
 29 O    -0.00000    0.04703   -1.38608
 30 O     0.00000   -0.00472    1.83134
 31 Pt   -0.00000    0.01909    0.51025
 32 Pt    0.00000   -0.14520    0.57264
 33 O    -1.61451   -0.01896    0.07101
 34 O     1.61451   -0.01896    0.07101
 35 O     0.00000   -0.03241   -0.52399
 36 O    -0.00000    0.20883   -0.10862
 37 Pt    0.00000   -0.30032   -0.03983
 38 Pt    0.00000   -0.00442   -0.01049
 39 O     0.00954    0.01165    0.01554
 40 O    -0.00954    0.01165    0.01554
 41 O     0.00000   -0.00607    0.00454
 42 O    -0.00000    0.03035   -0.01655
 43 Pt    0.00000   -0.00965    0.04964
 44 Pt    0.00000   -0.07645    0.00207
 45 O    -0.14620   -0.35531    0.07358
 46 O     0.14620   -0.35531    0.07358
 47 O     0.00000   -0.02173   -0.05190
 48 O    -0.00000    0.02222    1.17135
 49 Pt    0.00000   -0.02230   -0.37673
 50 Pt   -0.00000    0.02114   -0.43600
 51 O    -1.69167   -0.01397   -0.71822
 52 O     1.69167   -0.01397   -0.71822
 53 O     0.00000   -0.01207   -1.40403
 54 O     0.00000   -0.00191    1.77346
 55 Pt    0.00000   -0.01215    0.51628
 56 Pt   -0.00000    0.12541    0.64965
 57 O    -1.61398    0.01383    0.09239
 58 O     1.61398    0.01383    0.09239
 59 O     0.00000   -0.02114   -0.51553
 60 O     0.00000   -0.19989   -0.10984
 61 Pt   -0.00000    0.01384   -0.08898
 62 Pt   -0.00000    0.01712   -0.00724
 63 O    -0.01487   -0.00723    0.00320
 64 O     0.01487   -0.00723    0.00320
 65 O     0.00000   -0.00036    0.00004
 66 O     0.00000   -0.01178   -0.00277
 67 Pt   -0.00000    0.00805    0.02609
 68 Pt   -0.00000    0.14979    0.02105
 69 O    -0.00835    0.00248   -0.03058
 70 O     0.00835    0.00248   -0.03058
 71 O    -0.00000    0.00825   -0.04785
 72 N     0.00000   -0.62297    0.08693
 73 N    -0.00000    0.54430    0.42090

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 OPt   O         
       Pt  PO     O  O             
             O  O                  
            O     Pt PtO           
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         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    3.491954   24.110115    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.426019   23.794348    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:23:39  -2.54   +inf  -414.125758    3      1      
iter:   2  09:26:05  -3.18  -2.95  -414.632190    3      1      
iter:   3  09:28:30  -3.58  -2.24  -414.108588    3      1      
iter:   4  09:30:57  -4.03  -3.69  -414.108485    2      1      
iter:   5  09:33:23  -4.03  -3.84  -414.102836    3      1      
iter:   6  09:35:49  -4.44  -3.55  -414.105769    3      1      
iter:   7  09:38:16  -5.12  -4.01  -414.106225    2      1      
iter:   8  09:40:43  -5.18  -4.30  -414.106389    3      1      
iter:   9  09:43:09  -5.50  -3.82  -414.108421    3      1      
iter:  10  09:45:35  -5.30  -3.35  -414.106451    3      1      
iter:  11  09:48:01  -5.94  -4.49  -414.105846    2      1      
iter:  12  09:50:26  -6.01  -4.44  -414.106090    2      1      
iter:  13  09:52:52  -6.58  -4.87  -414.106088    2      1      
iter:  14  09:55:18  -6.81  -4.94  -414.106085    2      1      
iter:  15  09:57:45  -7.08  -4.79  -414.106129    2      1      
iter:  16  10:00:11  -7.26  -4.63  -414.106046    2      1      
iter:  17  10:02:37  -7.90  -5.02  -414.106235    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962518, -32.564818, 0.052206) |e|*Ang

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

Kinetic:        +17.948098
Potential:     -136.611607
External:        +0.000000
XC:            -305.158906
Entropy (-ST):   -1.564572
Local:          +10.498467
--------------------------
Free energy:   -414.888521
Extrapolated:  -414.106235

Fermi level: -6.49105

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56273    0.14931
  0   340     -6.54555    0.14066
  0   341     -6.54432    0.14003
  0   342     -6.51422    0.12393

  1   339     -6.46593    0.19446
  1   340     -6.41745    0.14395
  1   341     -6.38341    0.11297
  1   342     -6.37050    0.10245



Forces in eV/Ang:
  0 O     0.00000   -0.01728    1.17366
  1 Pt    0.00000   -0.00217   -0.37544
  2 Pt    0.00000   -0.01901   -0.43519
  3 O    -1.68416    0.00019   -0.71878
  4 O     1.68416    0.00019   -0.71878
  5 O     0.00000   -0.01187   -1.38632
  6 O     0.00000   -0.00255    1.76478
  7 Pt   -0.00000    0.01399    0.45041
  8 Pt    0.00000   -0.03938    0.75265
  9 O    -1.58053    0.00057    0.05137
 10 O     1.58053    0.00057    0.05137
 11 O     0.00000   -0.00893   -0.56533
 12 O    -0.00000    0.00864    0.13669
 13 Pt   -0.00000    0.26451   -0.03777
 14 Pt    0.00000   -0.01945    0.00864
 15 O    -0.00061    0.00979    0.00361
 16 O     0.00061    0.00979    0.00361
 17 O    -0.00000    0.00286   -0.98412
 18 O    -0.00000    0.00297    0.02545
 19 Pt    0.00000   -0.02392    0.12048
 20 Pt    0.00000   -0.00865    0.16101
 21 O    -0.20596    0.36906    0.21976
 22 O     0.20596    0.36906    0.21976
 23 O     0.00000   -0.01705   -0.08399
 24 O     0.00000   -0.00101    1.14971
 25 Pt   -0.00000    0.01635   -0.37877
 26 Pt    0.00000   -0.00015   -0.43563
 27 O    -1.69278    0.01346   -0.71800
 28 O     1.69278    0.01346   -0.71800
 29 O    -0.00000    0.04706   -1.38651
 30 O     0.00000   -0.00480    1.82973
 31 Pt   -0.00000    0.01901    0.50970
 32 Pt    0.00000   -0.14557    0.57224
 33 O    -1.61400   -0.01903    0.07039
 34 O     1.61400   -0.01903    0.07039
 35 O     0.00000   -0.03245   -0.52416
 36 O    -0.00000    0.20776   -0.10869
 37 Pt    0.00000   -0.29699   -0.03846
 38 Pt    0.00000   -0.00430   -0.00943
 39 O     0.00996    0.01165    0.01546
 40 O    -0.00996    0.01165    0.01546
 41 O     0.00000   -0.00568    0.00471
 42 O    -0.00000    0.03006   -0.01626
 43 Pt    0.00000   -0.00951    0.05045
 44 Pt    0.00000   -0.07607    0.00337
 45 O    -0.14884   -0.35155    0.07990
 46 O     0.14884   -0.35155    0.07990
 47 O     0.00000   -0.02185   -0.05210
 48 O    -0.00000    0.02216    1.17166
 49 Pt    0.00000   -0.02231   -0.37768
 50 Pt   -0.00000    0.02107   -0.43666
 51 O    -1.69202   -0.01396   -0.71837
 52 O     1.69202   -0.01396   -0.71837
 53 O     0.00000   -0.01219   -1.40441
 54 O     0.00000   -0.00189    1.77189
 55 Pt    0.00000   -0.01215    0.51569
 56 Pt   -0.00000    0.12590    0.64928
 57 O    -1.61339    0.01381    0.09185
 58 O     1.61339    0.01381    0.09185
 59 O     0.00000   -0.02113   -0.51561
 60 O     0.00000   -0.19854   -0.10969
 61 Pt   -0.00000    0.01319   -0.08701
 62 Pt   -0.00000    0.01714   -0.00612
 63 O    -0.01440   -0.00720    0.00303
 64 O     0.01440   -0.00720    0.00303
 65 O     0.00000   -0.00052    0.00278
 66 O     0.00000   -0.01149   -0.00258
 67 Pt   -0.00000    0.00805    0.02634
 68 Pt   -0.00000    0.14980    0.01952
 69 O    -0.00901    0.00174   -0.03044
 70 O     0.00901    0.00174   -0.03044
 71 O    -0.00000    0.00810   -0.04836
 72 N     0.00000   -0.79648    0.04291
 73 N    -0.00000    0.69584    0.45465

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  PO     O Pt             
             O  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    3.477470   24.118452    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.416957   23.794508    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:07:57  -3.17   +inf  -414.157511    3      1      
iter:   2  10:10:24  -3.23  -2.79  -415.380519    3      1      
iter:   3  10:12:50  -3.55  -2.06  -414.114259    3      1      
iter:   4  10:15:16  -4.34  -3.61  -414.114407    3      1      
iter:   5  10:17:42  -4.66  -3.81  -414.110531    3      1      
iter:   6  10:20:08  -4.86  -3.71  -414.110836    2      1      
iter:   7  10:22:33  -5.05  -3.85  -414.111044    3      1      
iter:   8  10:24:59  -5.42  -4.17  -414.111299    3      1      
iter:   9  10:27:25  -5.74  -4.07  -414.111523    2      1      
iter:  10  10:29:50  -6.12  -4.05  -414.111450    3      1      
iter:  11  10:32:17  -5.98  -4.39  -414.111404    3      1      
iter:  12  10:34:44  -6.41  -4.61  -414.111646    2      1      
iter:  13  10:37:10  -6.85  -4.55  -414.111260    2      1      
iter:  14  10:39:36  -7.01  -4.70  -414.111395    2      1      
iter:  15  10:42:02  -7.14  -4.55  -414.111414    2      1      
iter:  16  10:44:28  -7.25  -4.52  -414.111345    2      1      
iter:  17  10:46:53  -7.43  -4.86  -414.111347    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962583, -32.567306, 0.054685) |e|*Ang

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

Kinetic:        +18.362758
Potential:     -136.944050
External:        +0.000000
XC:            -305.248190
Entropy (-ST):   -1.564783
Local:          +10.500527
--------------------------
Free energy:   -414.893738
Extrapolated:  -414.111347

Fermi level: -6.48818

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55967    0.14922
  0   340     -6.54289    0.14077
  0   341     -6.54170    0.14015
  0   342     -6.51139    0.12395

  1   339     -6.46338    0.19480
  1   340     -6.41464    0.14401
  1   341     -6.38050    0.11294
  1   342     -6.36783    0.10260



Forces in eV/Ang:
  0 O     0.00000   -0.01730    1.17368
  1 Pt    0.00000   -0.00211   -0.37379
  2 Pt    0.00000   -0.01903   -0.43412
  3 O    -1.68246    0.00022   -0.71902
  4 O     1.68246    0.00022   -0.71902
  5 O     0.00000   -0.01187   -1.38720
  6 O     0.00000   -0.00263    1.77061
  7 Pt   -0.00000    0.01398    0.45211
  8 Pt    0.00000   -0.03951    0.75360
  9 O    -1.58129    0.00046    0.05130
 10 O     1.58129    0.00046    0.05130
 11 O     0.00000   -0.00896   -0.56508
 12 O    -0.00000    0.00866    0.13575
 13 Pt   -0.00000    0.26364   -0.03849
 14 Pt    0.00000   -0.01943    0.00743
 15 O    -0.00156    0.00993    0.00308
 16 O     0.00156    0.00993    0.00308
 17 O    -0.00000    0.00261   -0.97882
 18 O    -0.00000    0.00248    0.02414
 19 Pt    0.00000   -0.02429    0.12005
 20 Pt    0.00000   -0.01070    0.15532
 21 O    -0.20602    0.36908    0.22170
 22 O     0.20602    0.36908    0.22170
 23 O     0.00000   -0.01627   -0.08268
 24 O     0.00000   -0.00106    1.14971
 25 Pt   -0.00000    0.01632   -0.37714
 26 Pt    0.00000   -0.00022   -0.43443
 27 O    -1.69108    0.01342   -0.71826
 28 O     1.69108    0.01342   -0.71826
 29 O    -0.00000    0.04712   -1.38726
 30 O     0.00000   -0.00469    1.83591
 31 Pt   -0.00000    0.01904    0.51151
 32 Pt    0.00000   -0.14547    0.57307
 33 O    -1.61473   -0.01889    0.07036
 34 O     1.61473   -0.01889    0.07036
 35 O     0.00000   -0.03242   -0.52403
 36 O    -0.00000    0.20724   -0.10952
 37 Pt    0.00000   -0.29586   -0.03945
 38 Pt    0.00000   -0.00430   -0.01049
 39 O     0.00897    0.01157    0.01486
 40 O    -0.00897    0.01157    0.01486
 41 O     0.00000   -0.00542    0.00363
 42 O    -0.00000    0.03046   -0.01702
 43 Pt    0.00000   -0.00880    0.05214
 44 Pt    0.00000   -0.07487    0.00559
 45 O    -0.15095   -0.35108    0.08635
 46 O     0.15095   -0.35108    0.08635
 47 O     0.00000   -0.02205   -0.05098
 48 O    -0.00000    0.02223    1.17167
 49 Pt    0.00000   -0.02234   -0.37596
 50 Pt   -0.00000    0.02116   -0.43547
 51 O    -1.69026   -0.01396   -0.71862
 52 O     1.69026   -0.01396   -0.71862
 53 O     0.00000   -0.01227   -1.40505
 54 O     0.00000   -0.00192    1.77802
 55 Pt    0.00000   -0.01217    0.51745
 56 Pt   -0.00000    0.12594    0.64994
 57 O    -1.61424    0.01380    0.09180
 58 O     1.61424    0.01380    0.09180
 59 O     0.00000   -0.02114   -0.51557
 60 O     0.00000   -0.19799   -0.11037
 61 Pt   -0.00000    0.01285   -0.08796
 62 Pt   -0.00000    0.01713   -0.00689
 63 O    -0.01550   -0.00730    0.00251
 64 O     0.01550   -0.00730    0.00251
 65 O     0.00000   -0.00044    0.00304
 66 O     0.00000   -0.01140   -0.00345
 67 Pt   -0.00000    0.00778    0.02709
 68 Pt   -0.00000    0.14975    0.02014
 69 O    -0.00893    0.00120   -0.02781
 70 O     0.00893    0.00120   -0.02781
 71 O    -0.00000    0.00755   -0.04748
 72 N     0.00000   -0.44784    0.07711
 73 N    -0.00000    0.37037    0.28682

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  PO     O Pt             
             O  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    3.470507   24.121796    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.413109   23.795570    ( 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  10:52:12  -3.81   +inf  -414.123242    3      1      
iter:   2  10:54:38  -4.32  -3.30  -414.156444    3      1      
iter:   3  10:57:03  -4.52  -2.78  -414.114664    3      1      
iter:   4  10:59:30  -5.01  -3.22  -414.113882    3      1      
iter:   5  11:01:55  -5.48  -4.15  -414.113052    3      1      
iter:   6  11:04:22  -5.40  -3.92  -414.113135    3      1      
iter:   7  11:06:47  -5.60  -4.10  -414.113147    3      1      
iter:   8  11:09:13  -5.96  -4.47  -414.113395    2      1      
iter:   9  11:11:39  -6.31  -4.16  -414.113090    2      1      
iter:  10  11:14:04  -6.54  -4.62  -414.113409    2      1      
iter:  11  11:16:30  -7.12  -4.56  -414.113152    2      1      
iter:  12  11:18:57  -7.09  -4.79  -414.113197    2      1      
iter:  13  11:21:23  -7.03  -4.95  -414.113145    2      1      
iter:  14  11:23:48  -7.02  -4.86  -414.113194    2      1      
iter:  15  11:26:14  -7.74  -4.97  -414.113237    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962512, -32.567880, 0.055408) |e|*Ang

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

Kinetic:        +18.790106
Potential:     -137.297587
External:        +0.000000
XC:            -305.325704
Entropy (-ST):   -1.564655
Local:          +10.502276
--------------------------
Free energy:   -414.895565
Extrapolated:  -414.113237

Fermi level: -6.48801

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55965    0.14929
  0   340     -6.54252    0.14067
  0   341     -6.54130    0.14004
  0   342     -6.51127    0.12398

  1   339     -6.46303    0.19461
  1   340     -6.41436    0.14390
  1   341     -6.38018    0.11282
  1   342     -6.36776    0.10268



Forces in eV/Ang:
  0 O     0.00000   -0.01730    1.17394
  1 Pt    0.00000   -0.00210   -0.37475
  2 Pt    0.00000   -0.01901   -0.43456
  3 O    -1.68368    0.00022   -0.71879
  4 O     1.68368    0.00022   -0.71879
  5 O     0.00000   -0.01182   -1.38672
  6 O     0.00000   -0.00256    1.76618
  7 Pt   -0.00000    0.01395    0.45046
  8 Pt    0.00000   -0.03953    0.75314
  9 O    -1.58090    0.00046    0.05130
 10 O     1.58090    0.00046    0.05130
 11 O     0.00000   -0.00893   -0.56577
 12 O    -0.00000    0.00854    0.13587
 13 Pt   -0.00000    0.26312   -0.03886
 14 Pt    0.00000   -0.01956    0.00773
 15 O    -0.00070    0.00992    0.00327
 16 O     0.00070    0.00992    0.00327
 17 O    -0.00000    0.00276   -0.98134
 18 O    -0.00000    0.00244    0.02530
 19 Pt    0.00000   -0.02419    0.11777
 20 Pt    0.00000   -0.01285    0.14961
 21 O    -0.20536    0.36853    0.22035
 22 O     0.20536    0.36853    0.22035
 23 O     0.00000   -0.01666   -0.08505
 24 O     0.00000   -0.00105    1.14998
 25 Pt   -0.00000    0.01630   -0.37805
 26 Pt    0.00000   -0.00022   -0.43486
 27 O    -1.69229    0.01343   -0.71803
 28 O     1.69229    0.01343   -0.71803
 29 O    -0.00000    0.04710   -1.38679
 30 O     0.00000   -0.00471    1.83140
 31 Pt   -0.00000    0.01903    0.50975
 32 Pt    0.00000   -0.14545    0.57246
 33 O    -1.61433   -0.01893    0.07035
 34 O     1.61433   -0.01893    0.07035
 35 O     0.00000   -0.03242   -0.52473
 36 O    -0.00000    0.20738   -0.10940
 37 Pt    0.00000   -0.29533   -0.03980
 38 Pt    0.00000   -0.00431   -0.01030
 39 O     0.00995    0.01157    0.01499
 40 O    -0.00995    0.01157    0.01499
 41 O     0.00000   -0.00547    0.00120
 42 O    -0.00000    0.03034   -0.01601
 43 Pt    0.00000   -0.00869    0.04947
 44 Pt    0.00000   -0.07396    0.00220
 45 O    -0.15069   -0.35043    0.08674
 46 O     0.15069   -0.35043    0.08674
 47 O     0.00000   -0.02181   -0.05293
 48 O    -0.00000    0.02222    1.17193
 49 Pt    0.00000   -0.02234   -0.37689
 50 Pt   -0.00000    0.02115   -0.43593
 51 O    -1.69149   -0.01397   -0.71838
 52 O     1.69149   -0.01397   -0.71838
 53 O     0.00000   -0.01231   -1.40459
 54 O     0.00000   -0.00199    1.77365
 55 Pt    0.00000   -0.01214    0.51572
 56 Pt   -0.00000    0.12595    0.64936
 57 O    -1.61383    0.01383    0.09178
 58 O     1.61383    0.01383    0.09178
 59 O     0.00000   -0.02117   -0.51615
 60 O     0.00000   -0.19797   -0.11030
 61 Pt   -0.00000    0.01276   -0.08797
 62 Pt   -0.00000    0.01727   -0.00691
 63 O    -0.01450   -0.00727    0.00258
 64 O     0.01450   -0.00727    0.00258
 65 O     0.00000   -0.00037    0.00116
 66 O     0.00000   -0.01120   -0.00257
 67 Pt   -0.00000    0.00767    0.02565
 68 Pt   -0.00000    0.14979    0.01826
 69 O    -0.00864    0.00106   -0.02885
 70 O     0.00864    0.00106   -0.02885
 71 O    -0.00000    0.00764   -0.04882
 72 N     0.00000   -0.09228    0.17010
 73 N    -0.00000    0.09002    0.20899

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    3.439143   24.141970    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.392885   23.796307    ( 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  11:31:34  -2.47   +inf  -414.239850    4      1      
iter:   2  11:34:01  -2.79  -2.60  -416.776823    4      1      
iter:   3  11:36:27  -3.17  -1.91  -414.131196    3      1      
iter:   4  11:38:53  -3.77  -2.96  -414.131109    3      1      
iter:   5  11:41:19  -4.28  -3.31  -414.122275    3      1      
iter:   6  11:43:45  -4.16  -3.49  -414.117227    3      1      
iter:   7  11:46:11  -4.55  -3.61  -414.119444    3      1      
iter:   8  11:48:37  -4.58  -3.54  -414.121558    3      1      
iter:   9  11:51:03  -4.96  -3.44  -414.118124    3      1      
iter:  10  11:53:29  -5.49  -3.95  -414.118853    2      1      
iter:  11  11:55:55  -5.55  -3.94  -414.117381    3      1      
iter:  12  11:58:21  -5.50  -3.96  -414.118561    3      1      
iter:  13  12:00:48  -5.65  -4.07  -414.118183    3      1      
iter:  14  12:03:14  -6.03  -4.36  -414.118329    2      1      
iter:  15  12:05:40  -6.21  -4.14  -414.117803    2      1      
iter:  16  12:08:06  -6.52  -4.38  -414.117817    2      1      
iter:  17  12:10:31  -6.66  -4.70  -414.118118    2      1      
iter:  18  12:12:57  -7.15  -4.64  -414.117838    2      1      
iter:  19  12:15:23  -7.73  -4.95  -414.117902    2      1      

Converged after 19 iterations.

Dipole moment: (-55.962613, -32.572467, 0.058347) |e|*Ang

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

Kinetic:        +19.429250
Potential:     -137.804888
External:        +0.000000
XC:            -305.468038
Entropy (-ST):   -1.564671
Local:          +10.508109
--------------------------
Free energy:   -414.900238
Extrapolated:  -414.117902

Fermi level: -6.48545

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55690    0.14920
  0   340     -6.54007    0.14072
  0   341     -6.53887    0.14010
  0   342     -6.50878    0.12401

  1   339     -6.46062    0.19477
  1   340     -6.41185    0.14395
  1   341     -6.37737    0.11260
  1   342     -6.36550    0.10292



Forces in eV/Ang:
  0 O     0.00000   -0.01734    1.17313
  1 Pt    0.00000   -0.00202   -0.37503
  2 Pt    0.00000   -0.01902   -0.43496
  3 O    -1.68298    0.00021   -0.71901
  4 O     1.68298    0.00021   -0.71901
  5 O     0.00000   -0.01177   -1.38715
  6 O     0.00000   -0.00262    1.76890
  7 Pt   -0.00000    0.01401    0.45135
  8 Pt    0.00000   -0.03974    0.75428
  9 O    -1.58113    0.00047    0.05129
 10 O     1.58113    0.00047    0.05129
 11 O     0.00000   -0.00893   -0.56564
 12 O    -0.00000    0.00833    0.13415
 13 Pt   -0.00000    0.26105   -0.03896
 14 Pt    0.00000   -0.01952    0.00688
 15 O    -0.00111    0.01002    0.00315
 16 O     0.00111    0.01002    0.00315
 17 O    -0.00000    0.00218   -0.96871
 18 O    -0.00000    0.00223    0.02403
 19 Pt    0.00000   -0.02462    0.12094
 20 Pt    0.00000   -0.01547    0.15115
 21 O    -0.20494    0.36739    0.22234
 22 O     0.20494    0.36739    0.22234
 23 O     0.00000   -0.01529   -0.07849
 24 O     0.00000   -0.00101    1.14915
 25 Pt   -0.00000    0.01626   -0.37831
 26 Pt    0.00000   -0.00021   -0.43523
 27 O    -1.69159    0.01343   -0.71827
 28 O     1.69159    0.01343   -0.71827
 29 O    -0.00000    0.04715   -1.38704
 30 O     0.00000   -0.00467    1.83405
 31 Pt   -0.00000    0.01901    0.51077
 32 Pt    0.00000   -0.14558    0.57327
 33 O    -1.61451   -0.01891    0.07036
 34 O     1.61451   -0.01891    0.07036
 35 O     0.00000   -0.03243   -0.52454
 36 O    -0.00000    0.20608   -0.11001
 37 Pt    0.00000   -0.29287   -0.04002
 38 Pt    0.00000   -0.00422   -0.01094
 39 O     0.00950    0.01152    0.01492
 40 O    -0.00950    0.01152    0.01492
 41 O     0.00000   -0.00463    0.00103
 42 O    -0.00000    0.03043   -0.01715
 43 Pt    0.00000   -0.00835    0.05731
 44 Pt    0.00000   -0.07278    0.01058
 45 O    -0.15361   -0.34832    0.09698
 46 O     0.15361   -0.34832    0.09698
 47 O     0.00000   -0.02352   -0.04702
 48 O    -0.00000    0.02221    1.17112
 49 Pt    0.00000   -0.02237   -0.37720
 50 Pt   -0.00000    0.02115   -0.43636
 51 O    -1.69079   -0.01396   -0.71861
 52 O     1.69079   -0.01396   -0.71861
 53 O     0.00000   -0.01240   -1.40466
 54 O     0.00000   -0.00196    1.77628
 55 Pt    0.00000   -0.01218    0.51664
 56 Pt   -0.00000    0.12631    0.64998
 57 O    -1.61403    0.01379    0.09185
 58 O     1.61403    0.01379    0.09185
 59 O     0.00000   -0.02116   -0.51602
 60 O     0.00000   -0.19635   -0.11037
 61 Pt   -0.00000    0.01223   -0.08765
 62 Pt   -0.00000    0.01717   -0.00729
 63 O    -0.01484   -0.00733    0.00262
 64 O     0.01484   -0.00733    0.00262
 65 O     0.00000   -0.00069    0.00274
 66 O     0.00000   -0.01107   -0.00362
 67 Pt   -0.00000    0.00784    0.02914
 68 Pt   -0.00000    0.15014    0.02359
 69 O    -0.00885    0.00033   -0.02576
 70 O     0.00885    0.00033   -0.02576
 71 O    -0.00000    0.00806   -0.04460
 72 N    -0.00000    0.50654    0.36857
 73 N     0.00000   -0.57927    0.03760

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    3.410708   24.163552    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.372892   23.796240    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:20:42  -2.49   +inf  -414.137741    3      1      
iter:   2  12:23:08  -3.31  -3.27  -414.152381    3      1      
iter:   3  12:25:34  -3.76  -2.82  -414.138796    3      1      
iter:   4  12:28:01  -4.14  -3.03  -414.130079    3      1      
iter:   5  12:30:27  -4.03  -3.64  -414.126537    3      1      
iter:   6  12:32:52  -4.29  -3.43  -414.125936    3      1      
iter:   7  12:35:19  -4.97  -3.97  -414.126252    2      1      
iter:   8  12:37:45  -5.02  -4.26  -414.126380    3      1      
iter:   9  12:40:10  -5.32  -4.27  -414.126355    3      1      
iter:  10  12:42:36  -5.80  -4.26  -414.126074    2      1      
iter:  11  12:45:02  -6.33  -4.63  -414.126130    2      1      
iter:  12  12:47:29  -6.51  -4.66  -414.126080    2      1      
iter:  13  12:49:55  -6.64  -4.13  -414.125750    2      1      
iter:  14  12:52:21  -6.76  -4.46  -414.126234    3      1      
iter:  15  12:54:47  -7.14  -4.77  -414.126069    2      1      
iter:  16  12:57:13  -7.44  -5.16  -414.126052    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962578, -32.576777, 0.061101) |e|*Ang

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

Kinetic:        +19.617702
Potential:     -137.971832
External:        +0.000000
XC:            -305.497732
Entropy (-ST):   -1.564529
Local:          +10.508074
--------------------------
Free energy:   -414.908317
Extrapolated:  -414.126052

Fermi level: -6.48334

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55488    0.14924
  0   340     -6.53791    0.14070
  0   341     -6.53670    0.14007
  0   342     -6.50676    0.12406

  1   339     -6.45846    0.19472
  1   340     -6.40970    0.14391
  1   341     -6.37502    0.11240
  1   342     -6.36359    0.10308



Forces in eV/Ang:
  0 O     0.00000   -0.01735    1.17330
  1 Pt    0.00000   -0.00196   -0.37504
  2 Pt    0.00000   -0.01903   -0.43497
  3 O    -1.68315    0.00022   -0.71873
  4 O     1.68315    0.00022   -0.71873
  5 O     0.00000   -0.01171   -1.38719
  6 O     0.00000   -0.00264    1.76751
  7 Pt   -0.00000    0.01399    0.45100
  8 Pt    0.00000   -0.03993    0.75485
  9 O    -1.58102    0.00046    0.05131
 10 O     1.58102    0.00046    0.05131
 11 O     0.00000   -0.00893   -0.56548
 12 O    -0.00000    0.00809    0.13340
 13 Pt   -0.00000    0.25876   -0.03847
 14 Pt    0.00000   -0.01947    0.00718
 15 O    -0.00077    0.01004    0.00336
 16 O     0.00077    0.01004    0.00336
 17 O     0.00000    0.00179   -0.96129
 18 O    -0.00000    0.00228    0.02457
 19 Pt    0.00000   -0.02522    0.11746
 20 Pt    0.00000   -0.01700    0.14506
 21 O    -0.20424    0.36580    0.22029
 22 O     0.20424    0.36580    0.22029
 23 O     0.00000   -0.01617   -0.07945
 24 O     0.00000   -0.00099    1.14933
 25 Pt   -0.00000    0.01623   -0.37829
 26 Pt    0.00000   -0.00022   -0.43518
 27 O    -1.69175    0.01342   -0.71800
 28 O     1.69175    0.01342   -0.71800
 29 O    -0.00000    0.04718   -1.38701
 30 O     0.00000   -0.00466    1.83274
 31 Pt   -0.00000    0.01901    0.51045
 32 Pt    0.00000   -0.14573    0.57334
 33 O    -1.61435   -0.01891    0.07041
 34 O     1.61435   -0.01891    0.07041
 35 O     0.00000   -0.03242   -0.52431
 36 O    -0.00000    0.20504   -0.10966
 37 Pt    0.00000   -0.29002   -0.03945
 38 Pt    0.00000   -0.00431   -0.01068
 39 O     0.00984    0.01157    0.01527
 40 O    -0.00984    0.01157    0.01527
 41 O     0.00000   -0.00431   -0.00143
 42 O    -0.00000    0.03004   -0.01657
 43 Pt    0.00000   -0.00790    0.05448
 44 Pt    0.00000   -0.07143    0.00713
 45 O    -0.15439   -0.34592    0.09976
 46 O     0.15439   -0.34592    0.09976
 47 O     0.00000   -0.02286   -0.04801
 48 O    -0.00000    0.02220    1.17130
 49 Pt    0.00000   -0.02240   -0.37720
 50 Pt   -0.00000    0.02116   -0.43634
 51 O    -1.69095   -0.01396   -0.71835
 52 O     1.69095   -0.01396   -0.71835
 53 O     0.00000   -0.01250   -1.40451
 54 O     0.00000   -0.00195    1.77504
 55 Pt    0.00000   -0.01216    0.51630
 56 Pt   -0.00000    0.12665    0.64993
 57 O    -1.61390    0.01381    0.09193
 58 O     1.61390    0.01381    0.09193
 59 O     0.00000   -0.02117   -0.51579
 60 O     0.00000   -0.19509   -0.10999
 61 Pt   -0.00000    0.01172   -0.08643
 62 Pt   -0.00000    0.01721   -0.00712
 63 O    -0.01446   -0.00739    0.00280
 64 O     0.01446   -0.00739    0.00280
 65 O     0.00000   -0.00082    0.00228
 66 O     0.00000   -0.01075   -0.00309
 67 Pt   -0.00000    0.00805    0.02725
 68 Pt   -0.00000    0.15032    0.02031
 69 O    -0.00891    0.00006   -0.02714
 70 O     0.00891    0.00006   -0.02714
 71 O    -0.00000    0.00825   -0.04540
 72 N    -0.00000    0.54546    0.44977
 73 N     0.00000   -0.71020    0.02658

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    3.379993   24.189176    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.349994   23.795697    ( 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  13:02:33  -2.39   +inf  -414.137054    3      1      
iter:   2  13:05:00  -3.23  -3.67  -414.141434    3      1      
iter:   3  13:07:26  -3.71  -3.27  -414.143150    2      1      
iter:   4  13:09:52  -3.71  -3.14  -414.136664    3      1      
iter:   5  13:12:18  -4.05  -3.90  -414.135908    3      1      
iter:   6  13:14:44  -4.59  -4.02  -414.137152    2      1      
iter:   7  13:17:10  -4.98  -3.92  -414.134861    3      1      
iter:   8  13:19:36  -5.24  -3.89  -414.136268    2      1      
iter:   9  13:22:03  -5.30  -4.08  -414.136197    3      1      
iter:  10  13:24:30  -5.70  -4.02  -414.135695    2      1      
iter:  11  13:26:56  -6.08  -4.29  -414.135744    2      1      
iter:  12  13:29:22  -6.41  -4.69  -414.135705    2      1      
iter:  13  13:31:49  -6.57  -4.73  -414.136153    3      1      
iter:  14  13:34:14  -6.85  -4.52  -414.135645    2      1      
iter:  15  13:36:41  -6.77  -4.45  -414.135726    2      1      
iter:  16  13:39:07  -7.34  -4.58  -414.135793    2      1      
iter:  17  13:41:32  -7.41  -5.15  -414.135752    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962533, -32.581373, 0.063810) |e|*Ang

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

Kinetic:        +19.377774
Potential:     -137.795321
External:        +0.000000
XC:            -305.441091
Entropy (-ST):   -1.564471
Local:          +10.505122
--------------------------
Free energy:   -414.917988
Extrapolated:  -414.135752

Fermi level: -6.48124

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55313    0.14942
  0   340     -6.53565    0.14062
  0   341     -6.53441    0.13997
  0   342     -6.50485    0.12417

  1   339     -6.45630    0.19466
  1   340     -6.40746    0.14377
  1   341     -6.37271    0.11223
  1   342     -6.36169    0.10324



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17394
  1 Pt    0.00000   -0.00189   -0.37493
  2 Pt    0.00000   -0.01901   -0.43433
  3 O    -1.68407    0.00021   -0.71852
  4 O     1.68407    0.00021   -0.71852
  5 O     0.00000   -0.01163   -1.38722
  6 O     0.00000   -0.00261    1.76457
  7 Pt   -0.00000    0.01399    0.44992
  8 Pt    0.00000   -0.04005    0.75460
  9 O    -1.58118    0.00048    0.05103
 10 O     1.58118    0.00048    0.05103
 11 O     0.00000   -0.00892   -0.56598
 12 O    -0.00000    0.00795    0.13239
 13 Pt   -0.00000    0.25658   -0.03900
 14 Pt    0.00000   -0.01958    0.00658
 15 O    -0.00051    0.00994    0.00339
 16 O     0.00051    0.00994    0.00339
 17 O    -0.00000    0.00120   -0.95429
 18 O    -0.00000    0.00217    0.02512
 19 Pt    0.00000   -0.02572    0.11230
 20 Pt    0.00000   -0.01711    0.13928
 21 O    -0.20347    0.36409    0.21763
 22 O     0.20347    0.36409    0.21763
 23 O     0.00000   -0.01682   -0.08085
 24 O     0.00000   -0.00095    1.15000
 25 Pt   -0.00000    0.01618   -0.37813
 26 Pt    0.00000   -0.00022   -0.43455
 27 O    -1.69266    0.01343   -0.71777
 28 O     1.69266    0.01343   -0.71777
 29 O    -0.00000    0.04720   -1.38711
 30 O     0.00000   -0.00477    1.82967
 31 Pt   -0.00000    0.01899    0.50933
 32 Pt    0.00000   -0.14601    0.57272
 33 O    -1.61445   -0.01894    0.07013
 34 O     1.61445   -0.01894    0.07013
 35 O     0.00000   -0.03245   -0.52468
 36 O    -0.00000    0.20421   -0.10989
 37 Pt    0.00000   -0.28732   -0.04010
 38 Pt    0.00000   -0.00410   -0.01124
 39 O     0.01012    0.01169    0.01530
 40 O    -0.01012    0.01169    0.01530
 41 O     0.00000   -0.00404   -0.00687
 42 O    -0.00000    0.02989   -0.01582
 43 Pt    0.00000   -0.00752    0.05097
 44 Pt    0.00000   -0.07082    0.00319
 45 O    -0.15646   -0.34334    0.10506
 46 O     0.15646   -0.34334    0.10506
 47 O     0.00000   -0.02205   -0.04918
 48 O    -0.00000    0.02218    1.17196
 49 Pt    0.00000   -0.02242   -0.37716
 50 Pt   -0.00000    0.02115   -0.43575
 51 O    -1.69189   -0.01396   -0.71815
 52 O     1.69189   -0.01396   -0.71815
 53 O     0.00000   -0.01258   -1.40453
 54 O     0.00000   -0.00187    1.77208
 55 Pt    0.00000   -0.01214    0.51529
 56 Pt   -0.00000    0.12705    0.64927
 57 O    -1.61399    0.01381    0.09172
 58 O     1.61399    0.01381    0.09172
 59 O     0.00000   -0.02114   -0.51610
 60 O     0.00000   -0.19421   -0.11001
 61 Pt   -0.00000    0.01132   -0.08676
 62 Pt   -0.00000    0.01708   -0.00766
 63 O    -0.01437   -0.00737    0.00274
 64 O     0.01437   -0.00737    0.00274
 65 O     0.00000   -0.00080   -0.00174
 66 O     0.00000   -0.01047   -0.00246
 67 Pt   -0.00000    0.00815    0.02408
 68 Pt   -0.00000    0.15020    0.01492
 69 O    -0.00892   -0.00044   -0.02820
 70 O     0.00892   -0.00044   -0.02820
 71 O    -0.00000    0.00801   -0.04649
 72 N    -0.00000    0.37092    0.43921
 73 N     0.00000   -0.43063    0.13538

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    3.350797   24.214190    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.328837   23.794480    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:46:51  -2.44   +inf  -414.170085    3      1      
iter:   2  13:49:18  -3.07  -2.87  -414.878389    3      1      
iter:   3  13:51:44  -3.48  -2.17  -414.148336    3      1      
iter:   4  13:54:10  -3.97  -3.70  -414.145842    3      1      
iter:   5  13:56:36  -3.92  -3.76  -414.148032    3      1      
iter:   6  13:59:03  -4.36  -3.54  -414.143610    3      1      
iter:   7  14:01:30  -4.90  -3.96  -414.144567    2      1      
iter:   8  14:03:56  -5.21  -4.17  -414.144546    2      1      
iter:   9  14:06:23  -5.46  -3.73  -414.144411    2      1      
iter:  10  14:08:49  -5.37  -3.98  -414.144467    2      1      
iter:  11  14:11:16  -5.94  -4.58  -414.144355    2      1      
iter:  12  14:13:42  -6.26  -4.66  -414.144648    2      1      
iter:  13  14:16:07  -6.44  -4.53  -414.144335    2      1      
iter:  14  14:18:34  -6.79  -4.74  -414.144601    2      1      
iter:  15  14:21:00  -7.09  -4.25  -414.144450    2      1      
iter:  16  14:23:27  -7.33  -4.78  -414.144390    2      1      
iter:  17  14:25:53  -7.48  -5.14  -414.144420    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962526, -32.586403, 0.066569) |e|*Ang

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

Kinetic:        +18.987928
Potential:     -137.489379
External:        +0.000000
XC:            -305.364447
Entropy (-ST):   -1.564263
Local:          +10.503610
--------------------------
Free energy:   -414.926551
Extrapolated:  -414.144420

Fermi level: -6.47854

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55021    0.14931
  0   340     -6.53320    0.14074
  0   341     -6.53199    0.14011
  0   342     -6.50212    0.12415

  1   339     -6.45372    0.19478
  1   340     -6.40492    0.14393
  1   341     -6.36986    0.11210
  1   342     -6.35908    0.10330



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17390
  1 Pt    0.00000   -0.00182   -0.37464
  2 Pt    0.00000   -0.01900   -0.43431
  3 O    -1.68307    0.00025   -0.71874
  4 O     1.68307    0.00025   -0.71874
  5 O     0.00000   -0.01160   -1.38806
  6 O     0.00000   -0.00272    1.76819
  7 Pt   -0.00000    0.01398    0.45101
  8 Pt    0.00000   -0.04032    0.75603
  9 O    -1.58114    0.00031    0.05087
 10 O     1.58114    0.00031    0.05087
 11 O     0.00000   -0.00895   -0.56558
 12 O    -0.00000    0.00783    0.13167
 13 Pt   -0.00000    0.25436   -0.03750
 14 Pt    0.00000   -0.01942    0.00773
 15 O    -0.00050    0.01024    0.00340
 16 O     0.00050    0.01024    0.00340
 17 O     0.00000    0.00052   -0.94318
 18 O    -0.00000    0.00181    0.02470
 19 Pt    0.00000   -0.02575    0.11055
 20 Pt    0.00000   -0.01662    0.13638
 21 O    -0.20319    0.36258    0.21680
 22 O     0.20319    0.36258    0.21680
 23 O     0.00000   -0.01712   -0.08074
 24 O     0.00000   -0.00098    1.14997
 25 Pt   -0.00000    0.01613   -0.37788
 26 Pt    0.00000   -0.00028   -0.43437
 27 O    -1.69169    0.01340   -0.71803
 28 O     1.69169    0.01340   -0.71803
 29 O    -0.00000    0.04734   -1.38764
 30 O     0.00000   -0.00453    1.83352
 31 Pt   -0.00000    0.01901    0.51055
 32 Pt    0.00000   -0.14598    0.57342
 33 O    -1.61433   -0.01882    0.07002
 34 O     1.61433   -0.01882    0.07002
 35 O     0.00000   -0.03238   -0.52444
 36 O    -0.00000    0.20284   -0.10974
 37 Pt    0.00000   -0.28445   -0.03880
 38 Pt    0.00000   -0.00454   -0.01006
 39 O     0.01003    0.01155    0.01542
 40 O    -0.01003    0.01155    0.01542
 41 O     0.00000   -0.00367   -0.00534
 42 O    -0.00000    0.02990   -0.01580
 43 Pt    0.00000   -0.00717    0.05129
 44 Pt    0.00000   -0.07023    0.00440
 45 O    -0.15774   -0.34115    0.10965
 46 O     0.15774   -0.34115    0.10965
 47 O     0.00000   -0.02170   -0.04897
 48 O    -0.00000    0.02222    1.17196
 49 Pt    0.00000   -0.02244   -0.37676
 50 Pt   -0.00000    0.02120   -0.43556
 51 O    -1.69083   -0.01398   -0.71837
 52 O     1.69083   -0.01398   -0.71837
 53 O     0.00000   -0.01275   -1.40488
 54 O     0.00000   -0.00201    1.77611
 55 Pt    0.00000   -0.01214    0.51625
 56 Pt   -0.00000    0.12726    0.64975
 57 O    -1.61403    0.01387    0.09157
 58 O     1.61403    0.01387    0.09157
 59 O     0.00000   -0.02119   -0.51605
 60 O     0.00000   -0.19279   -0.10990
 61 Pt   -0.00000    0.01083   -0.08478
 62 Pt   -0.00000    0.01736   -0.00645
 63 O    -0.01424   -0.00755    0.00266
 64 O     0.01424   -0.00755    0.00266
 65 O     0.00000   -0.00085    0.00300
 66 O     0.00000   -0.01007   -0.00267
 67 Pt   -0.00000    0.00784    0.02409
 68 Pt   -0.00000    0.15033    0.01443
 69 O    -0.00952   -0.00067   -0.02771
 70 O     0.00952   -0.00067   -0.02771
 71 O    -0.00000    0.00792   -0.04634
 72 N    -0.00000    0.01705    0.26422
 73 N     0.00000   -0.20895    0.11153

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    3.320264   24.240031    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.307425   23.794531    ( 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  14:31:12  -2.43   +inf  -414.155300    3      1      
iter:   2  14:33:39  -3.21  -3.25  -414.259796    2      1      
iter:   3  14:36:06  -3.66  -2.59  -414.155443    2      1      
iter:   4  14:38:33  -3.78  -3.79  -414.150618    3      1      
iter:   5  14:41:00  -4.04  -3.52  -414.154964    3      1      
iter:   6  14:43:26  -4.47  -3.64  -414.152739    3      1      
iter:   7  14:45:52  -5.02  -4.14  -414.152472    2      1      
iter:   8  14:48:19  -4.92  -4.16  -414.153018    3      1      
iter:   9  14:50:46  -5.35  -4.12  -414.152572    3      1      
iter:  10  14:53:12  -5.86  -4.44  -414.152841    2      1      
iter:  11  14:55:40  -6.29  -4.23  -414.152837    2      1      
iter:  12  14:58:06  -6.38  -4.25  -414.152391    2      1      
iter:  13  15:00:33  -6.55  -4.58  -414.152612    2      1      
iter:  14  15:03:01  -6.92  -4.90  -414.152545    2      1      
iter:  15  15:05:27  -6.98  -4.96  -414.152624    2      1      
iter:  16  15:07:53  -7.37  -4.93  -414.152565    2      1      
iter:  17  15:10:20  -7.87  -4.76  -414.152569    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962545, -32.591099, 0.068693) |e|*Ang

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

Kinetic:        +18.655577
Potential:     -137.224757
External:        +0.000000
XC:            -305.301999
Entropy (-ST):   -1.564234
Local:          +10.500727
--------------------------
Free energy:   -414.934687
Extrapolated:  -414.152569

Fermi level: -6.47665

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54828    0.14929
  0   340     -6.53135    0.14076
  0   341     -6.53015    0.14014
  0   342     -6.50030    0.12419

  1   339     -6.45193    0.19489
  1   340     -6.40306    0.14395
  1   341     -6.36780    0.11195
  1   342     -6.35729    0.10338



Forces in eV/Ang:
  0 O     0.00000   -0.01740    1.17370
  1 Pt    0.00000   -0.00173   -0.37486
  2 Pt    0.00000   -0.01903   -0.43420
  3 O    -1.68262    0.00021   -0.71867
  4 O     1.68262    0.00021   -0.71867
  5 O     0.00000   -0.01154   -1.38809
  6 O     0.00000   -0.00265    1.77014
  7 Pt   -0.00000    0.01401    0.45185
  8 Pt    0.00000   -0.04036    0.75723
  9 O    -1.58104    0.00043    0.05147
 10 O     1.58104    0.00043    0.05147
 11 O     0.00000   -0.00891   -0.56553
 12 O    -0.00000    0.00767    0.13039
 13 Pt   -0.00000    0.25209   -0.03716
 14 Pt    0.00000   -0.01964    0.00712
 15 O    -0.00060    0.01017    0.00366
 16 O     0.00060    0.01017    0.00366
 17 O     0.00000   -0.00018   -0.93261
 18 O    -0.00000    0.00182    0.02453
 19 Pt    0.00000   -0.02607    0.10937
 20 Pt    0.00000   -0.01571    0.13744
 21 O    -0.20246    0.36100    0.21633
 22 O     0.20246    0.36100    0.21633
 23 O     0.00000   -0.01654   -0.07996
 24 O     0.00000   -0.00092    1.14975
 25 Pt   -0.00000    0.01607   -0.37801
 26 Pt    0.00000   -0.00023   -0.43428
 27 O    -1.69120    0.01343   -0.71795
 28 O     1.69120    0.01343   -0.71795
 29 O    -0.00000    0.04735   -1.38762
 30 O     0.00000   -0.00466    1.83524
 31 Pt   -0.00000    0.01898    0.51137
 32 Pt    0.00000   -0.14635    0.57429
 33 O    -1.61423   -0.01889    0.07061
 34 O     1.61423   -0.01889    0.07061
 35 O     0.00000   -0.03245   -0.52427
 36 O    -0.00000    0.20178   -0.10979
 37 Pt    0.00000   -0.28175   -0.03870
 38 Pt    0.00000   -0.00422   -0.01062
 39 O     0.01002    0.01159    0.01564
 40 O    -0.01002    0.01159    0.01564
 41 O     0.00000   -0.00286   -0.00535
 42 O    -0.00000    0.02969   -0.01595
 43 Pt    0.00000   -0.00707    0.05374
 44 Pt    0.00000   -0.07103    0.00807
 45 O    -0.16067   -0.33921    0.11863
 46 O     0.16067   -0.33921    0.11863
 47 O     0.00000   -0.02233   -0.04784
 48 O    -0.00000    0.02219    1.17171
 49 Pt    0.00000   -0.02248   -0.37705
 50 Pt   -0.00000    0.02117   -0.43557
 51 O    -1.69040   -0.01396   -0.71830
 52 O     1.69040   -0.01396   -0.71830
 53 O     0.00000   -0.01282   -1.40481
 54 O     0.00000   -0.00195    1.77775
 55 Pt    0.00000   -0.01214    0.51714
 56 Pt   -0.00000    0.12766    0.65064
 57 O    -1.61382    0.01382    0.09222
 58 O     1.61382    0.01382    0.09222
 59 O     0.00000   -0.02116   -0.51576
 60 O     0.00000   -0.19163   -0.10958
 61 Pt   -0.00000    0.01053   -0.08399
 62 Pt   -0.00000    0.01725   -0.00685
 63 O    -0.01427   -0.00750    0.00289
 64 O     0.01427   -0.00750    0.00289
 65 O     0.00000   -0.00114    0.00310
 66 O     0.00000   -0.00984   -0.00282
 67 Pt   -0.00000    0.00800    0.02461
 68 Pt   -0.00000    0.15054    0.01385
 69 O    -0.00965   -0.00124   -0.02647
 70 O     0.00965   -0.00124   -0.02647
 71 O    -0.00000    0.00793   -0.04575
 72 N     0.00000   -0.13045    0.18958
 73 N    -0.00000    0.05146    0.22585

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    3.290428   24.265774    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.286916   23.795301    ( 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  15:15:39  -2.46   +inf  -414.176283    3      1      
iter:   2  15:18:05  -3.13  -2.94  -414.713928    3      1      
iter:   3  15:20:30  -3.56  -2.23  -414.161846    3      1      
iter:   4  15:22:58  -3.97  -3.50  -414.163175    3      1      
iter:   5  15:25:24  -4.03  -3.61  -414.157008    3      1      
iter:   6  15:27:51  -4.23  -3.53  -414.159469    3      1      
iter:   7  15:30:17  -4.91  -4.02  -414.159267    2      1      
iter:   8  15:32:43  -5.10  -4.21  -414.159401    3      1      
iter:   9  15:35:10  -5.34  -3.91  -414.161549    2      1      
iter:  10  15:37:36  -5.23  -3.40  -414.158997    3      1      
iter:  11  15:40:03  -5.93  -4.37  -414.159438    2      1      
iter:  12  15:42:29  -6.40  -4.49  -414.159022    2      1      
iter:  13  15:44:55  -6.57  -4.58  -414.159278    2      1      
iter:  14  15:47:22  -6.74  -4.64  -414.159219    2      1      
iter:  15  15:49:48  -6.71  -4.81  -414.159232    2      1      
iter:  16  15:52:14  -7.29  -4.45  -414.159225    2      1      
iter:  17  15:54:40  -7.35  -4.61  -414.159156    2      1      
iter:  18  15:57:06  -7.62  -5.15  -414.159291    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962535, -32.595917, 0.071808) |e|*Ang

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

Kinetic:        +18.328637
Potential:     -136.975137
External:        +0.000000
XC:            -305.235481
Entropy (-ST):   -1.563908
Local:          +10.504644
--------------------------
Free energy:   -414.941245
Extrapolated:  -414.159291

Fermi level: -6.47439

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54612    0.14933
  0   340     -6.52907    0.14075
  0   341     -6.52785    0.14012
  0   342     -6.49811    0.12422

  1   339     -6.44951    0.19472
  1   340     -6.40080    0.14395
  1   341     -6.36535    0.11180
  1   342     -6.35513    0.10346



Forces in eV/Ang:
  0 O     0.00000   -0.01742    1.17382
  1 Pt    0.00000   -0.00168   -0.37561
  2 Pt    0.00000   -0.01903   -0.43495
  3 O    -1.68328    0.00020   -0.71864
  4 O     1.68328    0.00020   -0.71864
  5 O     0.00000   -0.01148   -1.38824
  6 O     0.00000   -0.00264    1.76743
  7 Pt   -0.00000    0.01404    0.45096
  8 Pt    0.00000   -0.04048    0.75684
  9 O    -1.58086    0.00044    0.05137
 10 O     1.58086    0.00044    0.05137
 11 O     0.00000   -0.00890   -0.56542
 12 O    -0.00000    0.00759    0.12966
 13 Pt   -0.00000    0.25018   -0.03644
 14 Pt    0.00000   -0.01974    0.00760
 15 O    -0.00024    0.01014    0.00381
 16 O     0.00024    0.01014    0.00381
 17 O     0.00000   -0.00068   -0.92442
 18 O    -0.00000    0.00164    0.02484
 19 Pt    0.00000   -0.02631    0.10800
 20 Pt    0.00000   -0.01599    0.13487
 21 O    -0.20186    0.35979    0.21558
 22 O     0.20186    0.35979    0.21558
 23 O     0.00000   -0.01663   -0.07932
 24 O     0.00000   -0.00089    1.14989
 25 Pt   -0.00000    0.01604   -0.37873
 26 Pt    0.00000   -0.00022   -0.43502
 27 O    -1.69186    0.01344   -0.71792
 28 O     1.69186    0.01344   -0.71792
 29 O    -0.00000    0.04737   -1.38774
 30 O     0.00000   -0.00469    1.83246
 31 Pt   -0.00000    0.01895    0.51049
 32 Pt    0.00000   -0.14654    0.57353
 33 O    -1.61401   -0.01890    0.07048
 34 O     1.61401   -0.01890    0.07048
 35 O     0.00000   -0.03245   -0.52410
 36 O    -0.00000    0.20098   -0.10981
 37 Pt    0.00000   -0.27941   -0.03812
 38 Pt    0.00000   -0.00410   -0.01002
 39 O     0.01041    0.01166    0.01578
 40 O    -0.01041    0.01166    0.01578
 41 O     0.00000   -0.00235   -0.00620
 42 O    -0.00000    0.02974   -0.01553
 43 Pt    0.00000   -0.00679    0.05463
 44 Pt    0.00000   -0.07073    0.00935
 45 O    -0.16220   -0.33775    0.12390
 46 O     0.16220   -0.33775    0.12390
 47 O     0.00000   -0.02226   -0.04725
 48 O    -0.00000    0.02218    1.17185
 49 Pt    0.00000   -0.02249   -0.37781
 50 Pt   -0.00000    0.02117   -0.43636
 51 O    -1.69106   -0.01396   -0.71828
 52 O     1.69106   -0.01396   -0.71828
 53 O     0.00000   -0.01290   -1.40483
 54 O     0.00000   -0.00191    1.77504
 55 Pt    0.00000   -0.01214    0.51627
 56 Pt   -0.00000    0.12796    0.64982
 57 O    -1.61363    0.01381    0.09222
 58 O     1.61363    0.01381    0.09222
 59 O     0.00000   -0.02116   -0.51552
 60 O     0.00000   -0.19082   -0.10941
 61 Pt   -0.00000    0.01025   -0.08303
 62 Pt   -0.00000    0.01720   -0.00615
 63 O    -0.01392   -0.00751    0.00301
 64 O     0.01392   -0.00751    0.00301
 65 O     0.00000   -0.00123    0.00323
 66 O     0.00000   -0.00971   -0.00254
 67 Pt   -0.00000    0.00799    0.02449
 68 Pt   -0.00000    0.15071    0.01351
 69 O    -0.00961   -0.00163   -0.02607
 70 O     0.00961   -0.00163   -0.02607
 71 O    -0.00000    0.00784   -0.04532
 72 N     0.00000   -0.37154   -0.00942
 73 N    -0.00000    0.27829    0.36807

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    3.260828   24.289388    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.267048   23.798441    ( 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  16:02:24  -2.50   +inf  -414.165386    3      1      
iter:   2  16:04:51  -3.35  -3.66  -414.168864    2      1      
iter:   3  16:07:17  -3.79  -3.70  -414.163770    3      1      
iter:   4  16:09:42  -3.85  -3.43  -414.165791    3      1      
iter:   5  16:12:09  -4.28  -3.86  -414.170742    3      1      
iter:   6  16:14:35  -4.65  -3.25  -414.165293    2      1      
iter:   7  16:17:01  -5.07  -3.95  -414.165714    2      1      
iter:   8  16:19:27  -5.15  -4.03  -414.165265    3      1      
iter:   9  16:21:53  -5.34  -3.95  -414.165963    3      1      
iter:  10  16:24:19  -5.65  -4.15  -414.165222    3      1      
iter:  11  16:26:45  -6.21  -4.59  -414.165283    2      1      
iter:  12  16:29:11  -6.53  -4.74  -414.165197    2      1      
iter:  13  16:31:37  -6.60  -4.35  -414.165203    2      1      
iter:  14  16:34:03  -6.84  -4.44  -414.165244    2      1      
iter:  15  16:36:29  -7.27  -5.06  -414.165120    2      1      
iter:  16  16:38:54  -7.54  -4.92  -414.165314    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962569, -32.599842, 0.073585) |e|*Ang

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

Kinetic:        +18.240899
Potential:     -136.910277
External:        +0.000000
XC:            -305.222135
Entropy (-ST):   -1.563849
Local:          +10.508124
--------------------------
Free energy:   -414.947238
Extrapolated:  -414.165314

Fermi level: -6.47285

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54447    0.14928
  0   340     -6.52758    0.14078
  0   341     -6.52637    0.14015
  0   342     -6.49661    0.12425

  1   339     -6.44805    0.19480
  1   340     -6.39929    0.14398
  1   341     -6.36366    0.11167
  1   342     -6.35373    0.10358



Forces in eV/Ang:
  0 O     0.00000   -0.01744    1.17354
  1 Pt    0.00000   -0.00162   -0.37593
  2 Pt    0.00000   -0.01903   -0.43540
  3 O    -1.68292    0.00022   -0.71882
  4 O     1.68292    0.00022   -0.71882
  5 O     0.00000   -0.01145   -1.38873
  6 O     0.00000   -0.00268    1.76859
  7 Pt   -0.00000    0.01403    0.45116
  8 Pt    0.00000   -0.04063    0.75757
  9 O    -1.58084    0.00040    0.05120
 10 O     1.58084    0.00040    0.05120
 11 O     0.00000   -0.00891   -0.56552
 12 O    -0.00000    0.00752    0.12837
 13 Pt   -0.00000    0.24849   -0.03642
 14 Pt    0.00000   -0.01975    0.00707
 15 O    -0.00036    0.01022    0.00370
 16 O     0.00036    0.01022    0.00370
 17 O     0.00000   -0.00069   -0.91677
 18 O    -0.00000    0.00156    0.02438
 19 Pt    0.00000   -0.02644    0.10903
 20 Pt    0.00000   -0.01765    0.13528
 21 O    -0.20146    0.35877    0.21625
 22 O     0.20146    0.35877    0.21625
 23 O     0.00000   -0.01638   -0.07723
 24 O     0.00000   -0.00089    1.14961
 25 Pt   -0.00000    0.01601   -0.37903
 26 Pt    0.00000   -0.00026   -0.43540
 27 O    -1.69150    0.01342   -0.71811
 28 O     1.69150    0.01342   -0.71811
 29 O    -0.00000    0.04742   -1.38807
 30 O     0.00000   -0.00462    1.83369
 31 Pt   -0.00000    0.01896    0.51074
 32 Pt    0.00000   -0.14657    0.57392
 33 O    -1.61395   -0.01886    0.07036
 34 O     1.61395   -0.01886    0.07036
 35 O     0.00000   -0.03243   -0.52423
 36 O    -0.00000    0.19994   -0.11019
 37 Pt    0.00000   -0.27756   -0.03838
 38 Pt    0.00000   -0.00412   -0.01046
 39 O     0.01029    0.01165    0.01570
 40 O    -0.01029    0.01165    0.01570
 41 O     0.00000   -0.00159   -0.00564
 42 O    -0.00000    0.02973   -0.01597
 43 Pt    0.00000   -0.00666    0.05825
 44 Pt    0.00000   -0.07105    0.01274
 45 O    -0.16442   -0.33716    0.13126
 46 O     0.16442   -0.33716    0.13126
 47 O     0.00000   -0.02278   -0.04543
 48 O    -0.00000    0.02220    1.17158
 49 Pt    0.00000   -0.02253   -0.37811
 50 Pt   -0.00000    0.02120   -0.43677
 51 O    -1.69067   -0.01396   -0.71847
 52 O     1.69067   -0.01396   -0.71847
 53 O     0.00000   -0.01299   -1.40503
 54 O     0.00000   -0.00194    1.77629
 55 Pt    0.00000   -0.01214    0.51648
 56 Pt   -0.00000    0.12814    0.65006
 57 O    -1.61361    0.01382    0.09209
 58 O     1.61361    0.01382    0.09209
 59 O     0.00000   -0.02119   -0.51570
 60 O     0.00000   -0.18975   -0.10961
 61 Pt   -0.00000    0.01007   -0.08250
 62 Pt   -0.00000    0.01724   -0.00649
 63 O    -0.01389   -0.00757    0.00295
 64 O     0.01389   -0.00757    0.00295
 65 O     0.00000   -0.00146    0.00465
 66 O     0.00000   -0.00953   -0.00297
 67 Pt   -0.00000    0.00803    0.02599
 68 Pt   -0.00000    0.15116    0.01564
 69 O    -0.00970   -0.00193   -0.02462
 70 O     0.00970   -0.00193   -0.02462
 71 O    -0.00000    0.00814   -0.04374
 72 N     0.00000   -0.39819    0.03272
 73 N    -0.00000    0.24158    0.37119

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    3.229748   24.313674    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.244880   23.802095    ( 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  16:44:13  -2.44   +inf  -414.182323    3      1      
iter:   2  16:46:39  -3.18  -3.00  -414.568260    3      1      
iter:   3  16:49:05  -3.59  -2.31  -414.177635    2      1      
iter:   4  16:51:31  -3.97  -3.61  -414.171438    3      1      
iter:   5  16:53:57  -4.06  -3.48  -414.175628    3      1      
iter:   6  16:56:22  -4.26  -3.36  -414.172812    3      1      
iter:   7  16:58:48  -4.94  -4.12  -414.172555    2      1      
iter:   8  17:01:13  -5.01  -4.12  -414.172623    3      1      
iter:   9  17:03:39  -5.24  -4.19  -414.172163    3      1      
iter:  10  17:06:05  -5.59  -4.39  -414.172719    2      1      
iter:  11  17:08:31  -6.23  -4.52  -414.172357    2      1      
iter:  12  17:10:58  -6.60  -4.42  -414.172636    2      1      
iter:  13  17:13:25  -6.57  -4.35  -414.172622    2      1      
iter:  14  17:15:51  -6.61  -4.68  -414.172558    2      1      
iter:  15  17:18:18  -6.79  -4.93  -414.172589    2      1      
iter:  16  17:20:44  -7.17  -4.88  -414.172478    2      1      
iter:  17  17:23:09  -7.72  -5.27  -414.172525    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962555, -32.604065, 0.076296) |e|*Ang

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

Kinetic:        +18.017786
Potential:     -136.744498
External:        +0.000000
XC:            -305.171586
Entropy (-ST):   -1.563835
Local:          +10.507691
--------------------------
Free energy:   -414.954442
Extrapolated:  -414.172525

Fermi level: -6.47060

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54234    0.14934
  0   340     -6.52529    0.14076
  0   341     -6.52407    0.14013
  0   342     -6.49448    0.12431

  1   339     -6.44580    0.19481
  1   340     -6.39698    0.14392
  1   341     -6.36130    0.11157
  1   342     -6.35168    0.10373



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17364
  1 Pt    0.00000   -0.00159   -0.37574
  2 Pt    0.00000   -0.01904   -0.43499
  3 O    -1.68314    0.00020   -0.71877
  4 O     1.68314    0.00020   -0.71877
  5 O     0.00000   -0.01141   -1.38867
  6 O     0.00000   -0.00268    1.76806
  7 Pt   -0.00000    0.01405    0.45084
  8 Pt    0.00000   -0.04072    0.75780
  9 O    -1.58098    0.00039    0.05108
 10 O     1.58098    0.00039    0.05108
 11 O     0.00000   -0.00890   -0.56570
 12 O    -0.00000    0.00752    0.12797
 13 Pt   -0.00000    0.24732   -0.03654
 14 Pt    0.00000   -0.01981    0.00688
 15 O    -0.00017    0.01026    0.00366
 16 O     0.00017    0.01026    0.00366
 17 O     0.00000   -0.00037   -0.91356
 18 O    -0.00000    0.00140    0.02463
 19 Pt    0.00000   -0.02676    0.10586
 20 Pt    0.00000   -0.02026    0.13008
 21 O    -0.20089    0.35772    0.21491
 22 O     0.20089    0.35772    0.21491
 23 O     0.00000   -0.01672   -0.07737
 24 O     0.00000   -0.00087    1.14973
 25 Pt   -0.00000    0.01599   -0.37880
 26 Pt    0.00000   -0.00024   -0.43498
 27 O    -1.69171    0.01344   -0.71807
 28 O     1.69171    0.01344   -0.71807
 29 O    -0.00000    0.04744   -1.38803
 30 O     0.00000   -0.00462    1.83311
 31 Pt   -0.00000    0.01895    0.51046
 32 Pt    0.00000   -0.14666    0.57386
 33 O    -1.61405   -0.01886    0.07025
 34 O     1.61405   -0.01886    0.07025
 35 O     0.00000   -0.03246   -0.52440
 36 O    -0.00000    0.19955   -0.11035
 37 Pt    0.00000   -0.27627   -0.03873
 38 Pt    0.00000   -0.00413   -0.01068
 39 O     0.01047    0.01165    0.01571
 40 O    -0.01047    0.01165    0.01571
 41 O     0.00000   -0.00121   -0.00808
 42 O    -0.00000    0.02974   -0.01554
 43 Pt    0.00000   -0.00614    0.05700
 44 Pt    0.00000   -0.07086    0.01172
 45 O    -0.16573   -0.33657    0.13618
 46 O     0.16573   -0.33657    0.13618
 47 O     0.00000   -0.02241   -0.04549
 48 O    -0.00000    0.02220    1.17170
 49 Pt    0.00000   -0.02254   -0.37791
 50 Pt   -0.00000    0.02119   -0.43638
 51 O    -1.69090   -0.01395   -0.71842
 52 O     1.69090   -0.01395   -0.71842
 53 O     0.00000   -0.01305   -1.40493
 54 O     0.00000   -0.00194    1.77579
 55 Pt    0.00000   -0.01214    0.51612
 56 Pt   -0.00000    0.12831    0.64990
 57 O    -1.61373    0.01382    0.09196
 58 O     1.61373    0.01382    0.09196
 59 O     0.00000   -0.02117   -0.51585
 60 O     0.00000   -0.18941   -0.10967
 61 Pt   -0.00000    0.00992   -0.08267
 62 Pt   -0.00000    0.01729   -0.00665
 63 O    -0.01379   -0.00760    0.00283
 64 O     0.01379   -0.00760    0.00283
 65 O     0.00000   -0.00140    0.00278
 66 O     0.00000   -0.00936   -0.00270
 67 Pt   -0.00000    0.00796    0.02446
 68 Pt   -0.00000    0.15132    0.01333
 69 O    -0.00952   -0.00220   -0.02466
 70 O     0.00952   -0.00220   -0.02466
 71 O    -0.00000    0.00799   -0.04373
 72 N     0.00000   -0.56367   -0.10694
 73 N    -0.00000    0.47720    0.43868

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    3.225985   24.315725    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.242286   23.806384    ( 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  17:28:29  -4.07   +inf  -414.180978    3      1      
iter:   2  17:30:55  -4.36  -3.38  -414.244816    3      1      
iter:   3  17:33:21  -4.65  -2.66  -414.174067    3      1      
iter:   4  17:35:48  -5.31  -3.61  -414.175229    3      1      
iter:   5  17:38:14  -5.90  -4.29  -414.174529    3      1      
iter:   6  17:40:39  -5.65  -4.11  -414.174355    3      1      
iter:   7  17:43:04  -5.72  -4.31  -414.174693    3      1      
iter:   8  17:45:31  -6.06  -4.47  -414.174584    3      1      
iter:   9  17:47:59  -6.63  -4.57  -414.174713    2      1      
iter:  10  17:50:25  -6.77  -4.64  -414.174767    2      1      
iter:  11  17:52:51  -7.12  -4.17  -414.174638    2      1      
iter:  12  17:55:16  -7.33  -4.92  -414.174697    2      1      
iter:  13  17:57:41  -7.28  -5.01  -414.174612    2      1      
iter:  14  18:00:07  -7.76  -5.04  -414.174637    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962546, -32.603070, 0.075080) |e|*Ang

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

Kinetic:        +18.372631
Potential:     -137.038102
External:        +0.000000
XC:            -305.237421
Entropy (-ST):   -1.563928
Local:          +10.510220
--------------------------
Free energy:   -414.956601
Extrapolated:  -414.174637

Fermi level: -6.47167

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54353    0.14940
  0   340     -6.52622    0.14069
  0   341     -6.52498    0.14005
  0   342     -6.49565    0.12437

  1   339     -6.44684    0.19477
  1   340     -6.39793    0.14381
  1   341     -6.36233    0.11155
  1   342     -6.35291    0.10387



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17413
  1 Pt    0.00000   -0.00160   -0.37569
  2 Pt    0.00000   -0.01904   -0.43498
  3 O    -1.68371    0.00020   -0.71886
  4 O     1.68371    0.00020   -0.71886
  5 O     0.00000   -0.01140   -1.38867
  6 O     0.00000   -0.00268    1.76616
  7 Pt   -0.00000    0.01411    0.45027
  8 Pt    0.00000   -0.04070    0.75757
  9 O    -1.58115    0.00045    0.05105
 10 O     1.58115    0.00045    0.05105
 11 O     0.00000   -0.00889   -0.56596
 12 O    -0.00000    0.00766    0.12823
 13 Pt   -0.00000    0.24761   -0.03769
 14 Pt    0.00000   -0.01987    0.00624
 15 O    -0.00012    0.01031    0.00346
 16 O     0.00012    0.01031    0.00346
 17 O     0.00000    0.00003   -0.91889
 18 O    -0.00000    0.00136    0.02531
 19 Pt    0.00000   -0.02683    0.10433
 20 Pt    0.00000   -0.02045    0.13027
 21 O    -0.20023    0.35783    0.21533
 22 O     0.20023    0.35783    0.21533
 23 O     0.00000   -0.01561   -0.07948
 24 O     0.00000   -0.00085    1.15022
 25 Pt   -0.00000    0.01601   -0.37874
 26 Pt    0.00000   -0.00022   -0.43499
 27 O    -1.69228    0.01344   -0.71816
 28 O     1.69228    0.01344   -0.71816
 29 O    -0.00000    0.04740   -1.38814
 30 O     0.00000   -0.00459    1.83105
 31 Pt   -0.00000    0.01890    0.50992
 32 Pt    0.00000   -0.14657    0.57378
 33 O    -1.61422   -0.01892    0.07023
 34 O     1.61422   -0.01892    0.07023
 35 O     0.00000   -0.03246   -0.52474
 36 O    -0.00000    0.19993   -0.11045
 37 Pt    0.00000   -0.27674   -0.04027
 38 Pt    0.00000   -0.00407   -0.01123
 39 O     0.01053    0.01161    0.01535
 40 O    -0.01053    0.01161    0.01535
 41 O     0.00000   -0.00093   -0.01114
 42 O    -0.00000    0.02979   -0.01488
 43 Pt    0.00000   -0.00598    0.05839
 44 Pt    0.00000   -0.07279    0.01595
 45 O    -0.16804   -0.33761    0.14258
 46 O     0.16804   -0.33761    0.14258
 47 O     0.00000   -0.02295   -0.04649
 48 O    -0.00000    0.02219    1.17219
 49 Pt    0.00000   -0.02255   -0.37787
 50 Pt   -0.00000    0.02117   -0.43641
 51 O    -1.69148   -0.01395   -0.71851
 52 O     1.69148   -0.01395   -0.71851
 53 O     0.00000   -0.01303   -1.40500
 54 O     0.00000   -0.00199    1.77367
 55 Pt    0.00000   -0.01215    0.51549
 56 Pt   -0.00000    0.12825    0.64975
 57 O    -1.61387    0.01382    0.09189
 58 O     1.61387    0.01382    0.09189
 59 O     0.00000   -0.02117   -0.51621
 60 O     0.00000   -0.18987   -0.10960
 61 Pt   -0.00000    0.00994   -0.08388
 62 Pt   -0.00000    0.01731   -0.00697
 63 O    -0.01367   -0.00762    0.00263
 64 O     0.01367   -0.00762    0.00263
 65 O     0.00000   -0.00142   -0.00021
 66 O     0.00000   -0.00932   -0.00196
 67 Pt   -0.00000    0.00785    0.02404
 68 Pt   -0.00000    0.15110    0.01236
 69 O    -0.00880   -0.00234   -0.02379
 70 O     0.00880   -0.00234   -0.02379
 71 O    -0.00000    0.00745   -0.04505
 72 N     0.00000   -0.30576    0.00482
 73 N    -0.00000    0.24060    0.32958

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    3.195716   24.338176    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.221065   23.819237    ( 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  18:05:27  -2.46   +inf  -414.286471    4      1      
iter:   2  18:07:53  -2.85  -2.63  -416.477923    4      1      
iter:   3  18:10:19  -3.24  -1.94  -414.193566    3      1      
iter:   4  18:12:44  -3.89  -3.00  -414.194471    3      1      
iter:   5  18:15:10  -4.47  -3.38  -414.187169    3      1      
iter:   6  18:17:37  -4.28  -3.56  -414.182626    3      1      
iter:   7  18:20:03  -4.64  -3.64  -414.184849    3      1      
iter:   8  18:22:30  -4.68  -3.56  -414.185320    3      1      
iter:   9  18:24:57  -5.07  -3.62  -414.183358    3      1      
iter:  10  18:27:23  -5.53  -4.03  -414.184135    2      1      
iter:  11  18:29:49  -5.61  -4.01  -414.182824    3      1      
iter:  12  18:32:15  -5.66  -3.96  -414.183638    2      1      
iter:  13  18:34:41  -5.96  -4.23  -414.183400    2      1      
iter:  14  18:37:06  -6.12  -4.49  -414.183578    2      1      
iter:  15  18:39:33  -6.36  -4.16  -414.183132    2      1      
iter:  16  18:41:59  -6.74  -4.67  -414.183177    2      1      
iter:  17  18:44:25  -6.72  -4.56  -414.183371    3      1      
iter:  18  18:46:51  -7.39  -4.76  -414.183188    2      1      
iter:  19  18:49:17  -7.75  -5.03  -414.183205    2      1      

Converged after 19 iterations.

Dipole moment: (-55.962631, -32.605654, 0.076758) |e|*Ang

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

Kinetic:        +18.789299
Potential:     -137.366067
External:        +0.000000
XC:            -305.331524
Entropy (-ST):   -1.563976
Local:          +10.507074
--------------------------
Free energy:   -414.965193
Extrapolated:  -414.183205

Fermi level: -6.47022

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54181    0.14927
  0   340     -6.52487    0.14074
  0   341     -6.52367    0.14012
  0   342     -6.49424    0.12439

  1   339     -6.44544    0.19483
  1   340     -6.39654    0.14387
  1   341     -6.36079    0.11147
  1   342     -6.35185    0.10418



Forces in eV/Ang:
  0 O     0.00000   -0.01749    1.17330
  1 Pt    0.00000   -0.00160   -0.37601
  2 Pt    0.00000   -0.01905   -0.43523
  3 O    -1.68315    0.00018   -0.71899
  4 O     1.68315    0.00018   -0.71899
  5 O     0.00000   -0.01138   -1.38878
  6 O     0.00000   -0.00269    1.76842
  7 Pt   -0.00000    0.01414    0.45085
  8 Pt    0.00000   -0.04078    0.75788
  9 O    -1.58115    0.00044    0.05088
 10 O     1.58115    0.00044    0.05088
 11 O     0.00000   -0.00888   -0.56589
 12 O    -0.00000    0.00765    0.12727
 13 Pt   -0.00000    0.24827   -0.03734
 14 Pt    0.00000   -0.01994    0.00581
 15 O    -0.00037    0.01040    0.00318
 16 O     0.00037    0.01040    0.00318
 17 O    -0.00000    0.00159   -0.91640
 18 O    -0.00000    0.00119    0.02404
 19 Pt    0.00000   -0.02697    0.10928
 20 Pt    0.00000   -0.02818    0.13277
 21 O    -0.20094    0.35871    0.21692
 22 O     0.20094    0.35871    0.21692
 23 O     0.00000   -0.01530   -0.07360
 24 O     0.00000   -0.00084    1.14936
 25 Pt   -0.00000    0.01606   -0.37903
 26 Pt    0.00000   -0.00021   -0.43525
 27 O    -1.69171    0.01345   -0.71830
 28 O     1.69171    0.01345   -0.71830
 29 O    -0.00000    0.04734   -1.38817
 30 O     0.00000   -0.00460    1.83328
 31 Pt   -0.00000    0.01889    0.51053
 32 Pt    0.00000   -0.14636    0.57432
 33 O    -1.61419   -0.01888    0.07004
 34 O     1.61419   -0.01888    0.07004
 35 O     0.00000   -0.03250   -0.52470
 36 O    -0.00000    0.19989   -0.11139
 37 Pt    0.00000   -0.27780   -0.04011
 38 Pt    0.00000   -0.00400   -0.01147
 39 O     0.01031    0.01157    0.01516
 40 O    -0.01031    0.01157    0.01516
 41 O     0.00000   -0.00023   -0.00890
 42 O    -0.00000    0.03023   -0.01621
 43 Pt    0.00000   -0.00565    0.06563
 44 Pt    0.00000   -0.07251    0.02094
 45 O    -0.17112   -0.34009    0.15099
 46 O     0.17112   -0.34009    0.15099
 47 O     0.00000   -0.02393   -0.04230
 48 O    -0.00000    0.02220    1.17134
 49 Pt    0.00000   -0.02258   -0.37818
 50 Pt   -0.00000    0.02117   -0.43672
 51 O    -1.69093   -0.01395   -0.71863
 52 O     1.69093   -0.01395   -0.71863
 53 O     0.00000   -0.01302   -1.40496
 54 O     0.00000   -0.00196    1.77589
 55 Pt    0.00000   -0.01216    0.51608
 56 Pt   -0.00000    0.12815    0.65020
 57 O    -1.61390    0.01379    0.09172
 58 O     1.61390    0.01379    0.09172
 59 O     0.00000   -0.02115   -0.51614
 60 O     0.00000   -0.18973   -0.11024
 61 Pt   -0.00000    0.00988   -0.08387
 62 Pt   -0.00000    0.01730   -0.00712
 63 O    -0.01390   -0.00766    0.00250
 64 O     0.01390   -0.00766    0.00250
 65 O     0.00000   -0.00157    0.00202
 66 O     0.00000   -0.00954   -0.00337
 67 Pt   -0.00000    0.00786    0.02718
 68 Pt   -0.00000    0.15204    0.01834
 69 O    -0.00905   -0.00265   -0.02197
 70 O     0.00905   -0.00265   -0.02197
 71 O    -0.00000    0.00821   -0.04103
 72 N    -0.00000    0.09711    0.27672
 73 N     0.00000   -0.21815    0.05076

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    3.165532   24.361188    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.199895   23.830137    ( 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  18:55:03  -2.48   +inf  -414.218292    4      1      
iter:   2  18:57:29  -3.24  -2.99  -414.521980    3      1      
iter:   3  18:59:55  -3.68  -2.33  -414.202881    3      1      
iter:   4  19:02:20  -4.19  -3.02  -414.195702    3      1      
iter:   5  19:04:46  -4.48  -3.70  -414.191442    3      1      
iter:   6  19:07:11  -4.32  -3.54  -414.189347    3      1      
iter:   7  19:09:36  -4.93  -3.90  -414.190216    2      1      
iter:   8  19:12:02  -5.02  -4.10  -414.190076    3      1      
iter:   9  19:14:26  -5.03  -4.02  -414.190252    3      1      
iter:  10  19:16:52  -5.68  -3.77  -414.191524    3      1      
iter:  11  19:19:18  -5.65  -3.76  -414.190154    3      1      
iter:  12  19:21:44  -6.22  -4.38  -414.190378    2      1      
iter:  13  19:24:10  -6.36  -4.30  -414.189943    2      1      
iter:  14  19:26:36  -6.63  -4.44  -414.190084    2      1      
iter:  15  19:29:01  -6.72  -4.59  -414.190001    2      1      
iter:  16  19:31:27  -6.97  -4.62  -414.190005    2      1      
iter:  17  19:33:52  -7.48  -4.65  -414.190084    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962624, -32.607528, 0.077259) |e|*Ang

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

Kinetic:        +19.119109
Potential:     -137.643906
External:        +0.000000
XC:            -305.390057
Entropy (-ST):   -1.563912
Local:          +10.506725
--------------------------
Free energy:   -414.972040
Extrapolated:  -414.190084

Fermi level: -6.47033

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54208    0.14935
  0   340     -6.52478    0.14064
  0   341     -6.52355    0.14000
  0   342     -6.49450    0.12448

  1   339     -6.44536    0.19463
  1   340     -6.39651    0.14374
  1   341     -6.36075    0.11135
  1   342     -6.35231    0.10446



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17342
  1 Pt    0.00000   -0.00161   -0.37636
  2 Pt    0.00000   -0.01906   -0.43583
  3 O    -1.68409    0.00019   -0.71856
  4 O     1.68409    0.00019   -0.71856
  5 O     0.00000   -0.01134   -1.38805
  6 O     0.00000   -0.00271    1.76421
  7 Pt   -0.00000    0.01415    0.44995
  8 Pt    0.00000   -0.04086    0.75763
  9 O    -1.58106    0.00044    0.05118
 10 O     1.58106    0.00044    0.05118
 11 O     0.00000   -0.00886   -0.56577
 12 O    -0.00000    0.00767    0.12733
 13 Pt   -0.00000    0.24825   -0.03757
 14 Pt    0.00000   -0.01998    0.00561
 15 O     0.00012    0.01042    0.00333
 16 O    -0.00012    0.01042    0.00333
 17 O    -0.00000    0.00288   -0.92009
 18 O    -0.00000    0.00114    0.02482
 19 Pt    0.00000   -0.02728    0.10860
 20 Pt    0.00000   -0.03373    0.12990
 21 O    -0.20045    0.35858    0.21625
 22 O     0.20045    0.35858    0.21625
 23 O     0.00000   -0.01561   -0.07363
 24 O     0.00000   -0.00083    1.14950
 25 Pt   -0.00000    0.01609   -0.37934
 26 Pt    0.00000   -0.00021   -0.43581
 27 O    -1.69263    0.01344   -0.71787
 28 O     1.69263    0.01344   -0.71787
 29 O    -0.00000    0.04730   -1.38750
 30 O     0.00000   -0.00456    1.82912
 31 Pt   -0.00000    0.01889    0.50967
 32 Pt    0.00000   -0.14617    0.57403
 33 O    -1.61406   -0.01889    0.07035
 34 O     1.61406   -0.01889    0.07035
 35 O     0.00000   -0.03248   -0.52464
 36 O    -0.00000    0.20005   -0.11148
 37 Pt    0.00000   -0.27799   -0.04064
 38 Pt    0.00000   -0.00407   -0.01169
 39 O     0.01082    0.01159    0.01535
 40 O    -0.01082    0.01159    0.01535
 41 O     0.00000    0.00019   -0.01197
 42 O    -0.00000    0.03014   -0.01543
 43 Pt    0.00000   -0.00518    0.06658
 44 Pt    0.00000   -0.07290    0.02025
 45 O    -0.17323   -0.34164    0.15779
 46 O     0.17323   -0.34164    0.15779
 47 O     0.00000   -0.02389   -0.04257
 48 O    -0.00000    0.02221    1.17148
 49 Pt    0.00000   -0.02260   -0.37850
 50 Pt   -0.00000    0.02119   -0.43732
 51 O    -1.69185   -0.01395   -0.71818
 52 O     1.69185   -0.01395   -0.71818
 53 O     0.00000   -0.01304   -1.40419
 54 O     0.00000   -0.00199    1.77176
 55 Pt    0.00000   -0.01217    0.51516
 56 Pt   -0.00000    0.12808    0.64978
 57 O    -1.61382    0.01379    0.09197
 58 O     1.61382    0.01379    0.09197
 59 O     0.00000   -0.02119   -0.51606
 60 O     0.00000   -0.18988   -0.11016
 61 Pt   -0.00000    0.00985   -0.08398
 62 Pt   -0.00000    0.01742   -0.00728
 63 O    -0.01336   -0.00769    0.00266
 64 O     0.01336   -0.00769    0.00266
 65 O     0.00000   -0.00160   -0.00072
 66 O     0.00000   -0.00936   -0.00272
 67 Pt   -0.00000    0.00784    0.02666
 68 Pt   -0.00000    0.15263    0.01759
 69 O    -0.00843   -0.00277   -0.02264
 70 O     0.00843   -0.00277   -0.02264
 71 O    -0.00000    0.00849   -0.04094
 72 N    -0.00000    0.47140    0.48120
 73 N     0.00000   -0.44980   -0.14759

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  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    3.135109   24.384141    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.178571   23.841547    ( 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  19:39:13  -2.47   +inf  -414.315853    4      1      
iter:   2  19:41:39  -2.77  -2.58  -417.187174    4      1      
iter:   3  19:44:05  -3.14  -1.89  -414.204327    3      1      
iter:   4  19:46:31  -3.76  -3.08  -414.204899    3      1      
iter:   5  19:48:57  -4.31  -3.43  -414.198087    3      1      
iter:   6  19:51:23  -4.27  -3.55  -414.194415    3      1      
iter:   7  19:53:50  -4.42  -3.64  -414.194661    3      1      
iter:   8  19:56:17  -4.86  -3.87  -414.195151    3      1      
iter:   9  19:58:44  -5.34  -3.87  -414.195254    2      1      
iter:  10  20:01:09  -5.53  -4.15  -414.194935    3      1      
iter:  11  20:03:35  -5.44  -4.22  -414.195432    3      1      
iter:  12  20:06:01  -6.16  -4.28  -414.194752    2      1      
iter:  13  20:08:27  -6.29  -4.34  -414.195151    2      1      
iter:  14  20:10:52  -6.59  -4.48  -414.194873    2      1      
iter:  15  20:13:19  -6.88  -4.18  -414.195080    2      1      
iter:  16  20:15:46  -6.70  -4.58  -414.194999    2      1      
iter:  17  20:18:13  -6.47  -4.76  -414.194816    2      1      
iter:  18  20:20:38  -7.32  -4.67  -414.195080    2      1      
iter:  19  20:23:05  -7.20  -4.74  -414.194824    2      1      
iter:  20  20:25:31  -7.53  -5.00  -414.195003    2      1      

Converged after 20 iterations.

Dipole moment: (-55.962614, -32.609317, 0.076095) |e|*Ang

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

Kinetic:        +19.542799
Potential:     -138.004990
External:        +0.000000
XC:            -305.458373
Entropy (-ST):   -1.563758
Local:          +10.507440
--------------------------
Free energy:   -414.976882
Extrapolated:  -414.195003

Fermi level: -6.46996

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54078    0.14889
  0   340     -6.52500    0.14094
  0   341     -6.52388    0.14036
  0   342     -6.49393    0.12436

  1   339     -6.44532    0.19499
  1   340     -6.39657    0.14415
  1   341     -6.36042    0.11138
  1   342     -6.35214    0.10462



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17343
  1 Pt    0.00000   -0.00158   -0.37528
  2 Pt    0.00000   -0.01907   -0.43448
  3 O    -1.68097    0.00019   -0.71895
  4 O     1.68097    0.00019   -0.71895
  5 O     0.00000   -0.01131   -1.38955
  6 O     0.00000   -0.00269    1.77611
  7 Pt   -0.00000    0.01416    0.45399
  8 Pt    0.00000   -0.04092    0.76040
  9 O    -1.58077    0.00046    0.05163
 10 O     1.58077    0.00046    0.05163
 11 O     0.00000   -0.00887   -0.56500
 12 O    -0.00000    0.00779    0.12731
 13 Pt   -0.00000    0.24853   -0.03373
 14 Pt    0.00000   -0.02007    0.00834
 15 O    -0.00063    0.01056    0.00411
 16 O     0.00063    0.01056    0.00411
 17 O    -0.00000    0.00415   -0.91337
 18 O    -0.00000    0.00103    0.02449
 19 Pt    0.00000   -0.02704    0.10613
 20 Pt    0.00000   -0.03743    0.12679
 21 O    -0.20188    0.36010    0.21489
 22 O     0.20188    0.36010    0.21489
 23 O     0.00000   -0.01508   -0.07676
 24 O     0.00000   -0.00080    1.14948
 25 Pt   -0.00000    0.01609   -0.37822
 26 Pt    0.00000   -0.00020   -0.43449
 27 O    -1.68952    0.01344   -0.71828
 28 O     1.68952    0.01344   -0.71828
 29 O    -0.00000    0.04721   -1.38914
 30 O     0.00000   -0.00455    1.84099
 31 Pt   -0.00000    0.01888    0.51372
 32 Pt    0.00000   -0.14606    0.57721
 33 O    -1.61374   -0.01892    0.07078
 34 O     1.61374   -0.01892    0.07078
 35 O     0.00000   -0.03248   -0.52370
 36 O    -0.00000    0.20063   -0.11186
 37 Pt    0.00000   -0.27850   -0.03724
 38 Pt    0.00000   -0.00396   -0.00925
 39 O     0.01009    0.01151    0.01624
 40 O    -0.01009    0.01151    0.01624
 41 O     0.00000    0.00097   -0.00051
 42 O    -0.00000    0.03022   -0.01578
 43 Pt    0.00000   -0.00532    0.06794
 44 Pt    0.00000   -0.07446    0.02136
 45 O    -0.17863   -0.34510    0.16709
 46 O     0.17863   -0.34510    0.16709
 47 O     0.00000   -0.02371   -0.04502
 48 O    -0.00000    0.02219    1.17146
 49 Pt    0.00000   -0.02263   -0.37745
 50 Pt   -0.00000    0.02118   -0.43604
 51 O    -1.68876   -0.01395   -0.71860
 52 O     1.68876   -0.01395   -0.71860
 53 O     0.00000   -0.01299   -1.40577
 54 O     0.00000   -0.00199    1.78367
 55 Pt    0.00000   -0.01215    0.51925
 56 Pt   -0.00000    0.12805    0.65286
 57 O    -1.61347    0.01379    0.09243
 58 O     1.61347    0.01379    0.09243
 59 O     0.00000   -0.02120   -0.51509
 60 O     0.00000   -0.19056   -0.11028
 61 Pt   -0.00000    0.00983   -0.08068
 62 Pt   -0.00000    0.01740   -0.00470
 63 O    -0.01413   -0.00775    0.00327
 64 O     0.01413   -0.00775    0.00327
 65 O     0.00000   -0.00180    0.00985
 66 O     0.00000   -0.00927   -0.00314
 67 Pt   -0.00000    0.00777    0.02552
 68 Pt   -0.00000    0.15297    0.01372
 69 O    -0.01026   -0.00312   -0.02299
 70 O     0.01026   -0.00312   -0.02299
 71 O    -0.00000    0.00782   -0.04362
 72 N    -0.00000    0.70505    0.61776
 73 N     0.00000   -0.74710   -0.28354

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    3.104052   24.407606    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.155926   23.852988    ( 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  20:30:52  -2.45   +inf  -414.349962    3      1      
iter:   2  20:33:18  -2.66  -2.50  -418.249439    4      1      
iter:   3  20:35:44  -3.09  -1.83  -414.260452    4      1      
iter:   4  20:38:09  -3.54  -2.73  -414.209435    3      1      
iter:   5  20:40:35  -4.08  -3.42  -414.202467    3      1      
iter:   6  20:43:01  -4.18  -3.57  -414.199565    3      1      
iter:   7  20:45:27  -4.59  -3.62  -414.200642    3      1      
iter:   8  20:47:52  -4.76  -3.47  -414.200333    3      1      
iter:   9  20:50:17  -5.22  -4.12  -414.200032    2      1      
iter:  10  20:52:43  -5.33  -4.11  -414.200319    3      1      
iter:  11  20:55:08  -5.75  -4.28  -414.199245    3      1      
iter:  12  20:57:35  -5.93  -4.15  -414.200007    2      1      
iter:  13  21:00:01  -6.39  -4.47  -414.200075    2      1      
iter:  14  21:02:26  -6.43  -4.09  -414.199693    2      1      
iter:  15  21:04:52  -6.85  -4.70  -414.199697    2      1      
iter:  16  21:07:18  -7.09  -4.80  -414.199730    2      1      
iter:  17  21:09:44  -7.28  -4.93  -414.199817    2      1      
iter:  18  21:12:10  -7.68  -5.05  -414.199671    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962683, -32.612076, 0.078392) |e|*Ang

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

Kinetic:        +19.683653
Potential:     -138.126937
External:        +0.000000
XC:            -305.483674
Entropy (-ST):   -1.564115
Local:          +10.509343
--------------------------
Free energy:   -414.981729
Extrapolated:  -414.199671

Fermi level: -6.46861

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53993    0.14914
  0   340     -6.52328    0.14075
  0   341     -6.52210    0.14014
  0   342     -6.49291    0.12455

  1   339     -6.44390    0.19491
  1   340     -6.39489    0.14383
  1   341     -6.35899    0.11132
  1   342     -6.35125    0.10498



Forces in eV/Ang:
  0 O     0.00000   -0.01752    1.17284
  1 Pt    0.00000   -0.00160   -0.37517
  2 Pt    0.00000   -0.01906   -0.43379
  3 O    -1.68282    0.00017   -0.71898
  4 O     1.68282    0.00017   -0.71898
  5 O     0.00000   -0.01128   -1.38861
  6 O     0.00000   -0.00270    1.77259
  7 Pt   -0.00000    0.01415    0.45275
  8 Pt    0.00000   -0.04096    0.75983
  9 O    -1.58116    0.00046    0.05211
 10 O     1.58116    0.00046    0.05211
 11 O     0.00000   -0.00884   -0.56522
 12 O    -0.00000    0.00786    0.12736
 13 Pt   -0.00000    0.24911   -0.03574
 14 Pt    0.00000   -0.02017    0.00629
 15 O    -0.00054    0.01054    0.00422
 16 O     0.00054    0.01054    0.00422
 17 O    -0.00000    0.00546   -0.92104
 18 O    -0.00000    0.00097    0.02543
 19 Pt    0.00000   -0.02762    0.10535
 20 Pt    0.00000   -0.04310    0.12453
 21 O    -0.20103    0.35964    0.21605
 22 O     0.20103    0.35964    0.21605
 23 O     0.00000   -0.01535   -0.07512
 24 O     0.00000   -0.00079    1.14890
 25 Pt   -0.00000    0.01614   -0.37807
 26 Pt    0.00000   -0.00019   -0.43383
 27 O    -1.69136    0.01345   -0.71830
 28 O     1.69136    0.01345   -0.71830
 29 O    -0.00000    0.04713   -1.38832
 30 O     0.00000   -0.00463    1.83739
 31 Pt   -0.00000    0.01888    0.51250
 32 Pt    0.00000   -0.14594    0.57681
 33 O    -1.61410   -0.01892    0.07126
 34 O     1.61410   -0.01892    0.07126
 35 O     0.00000   -0.03252   -0.52391
 36 O    -0.00000    0.20094   -0.11224
 37 Pt    0.00000   -0.27933   -0.03949
 38 Pt    0.00000   -0.00378   -0.01132
 39 O     0.01021    0.01156    0.01634
 40 O    -0.01021    0.01156    0.01634
 41 O     0.00000    0.00135   -0.00925
 42 O    -0.00000    0.03032   -0.01495
 43 Pt    0.00000   -0.00463    0.06855
 44 Pt    0.00000   -0.07438    0.02132
 45 O    -0.17965   -0.34610    0.17359
 46 O     0.17965   -0.34610    0.17359
 47 O     0.00000   -0.02374   -0.04402
 48 O    -0.00000    0.02220    1.17088
 49 Pt    0.00000   -0.02265   -0.37736
 50 Pt   -0.00000    0.02117   -0.43542
 51 O    -1.69062   -0.01395   -0.71863
 52 O     1.69062   -0.01395   -0.71863
 53 O     0.00000   -0.01296   -1.40489
 54 O     0.00000   -0.00192    1.78012
 55 Pt    0.00000   -0.01214    0.51806
 56 Pt   -0.00000    0.12800    0.65240
 57 O    -1.61386    0.01378    0.09287
 58 O     1.61386    0.01378    0.09287
 59 O     0.00000   -0.02119   -0.51523
 60 O     0.00000   -0.19096   -0.11053
 61 Pt   -0.00000    0.00983   -0.08307
 62 Pt   -0.00000    0.01732   -0.00670
 63 O    -0.01425   -0.00776    0.00350
 64 O     0.01425   -0.00776    0.00350
 65 O     0.00000   -0.00177    0.00107
 66 O     0.00000   -0.00926   -0.00233
 67 Pt   -0.00000    0.00783    0.02479
 68 Pt   -0.00000    0.15347    0.01391
 69 O    -0.00909   -0.00329   -0.02142
 70 O     0.00909   -0.00329   -0.02142
 71 O    -0.00000    0.00810   -0.04233
 72 N    -0.00000    0.76583    0.70599
 73 N     0.00000   -0.82315   -0.46802

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    3.072727   24.432480    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.132541   23.863562    ( 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  21:17:30  -2.44   +inf  -414.220730    3      1      
iter:   2  21:19:56  -3.30  -3.14  -414.320688    3      1      
iter:   3  21:22:23  -3.79  -2.57  -414.208387    3      1      
iter:   4  21:24:50  -4.25  -3.22  -414.210972    3      1      
iter:   5  21:27:17  -4.24  -3.66  -414.206512    3      1      
iter:   6  21:29:43  -4.36  -3.63  -414.206802    3      1      
iter:   7  21:32:09  -4.90  -3.70  -414.206796    3      1      
iter:   8  21:34:36  -5.37  -4.12  -414.207270    2      1      
iter:   9  21:37:01  -5.43  -3.85  -414.206062    3      1      
iter:  10  21:39:27  -5.48  -4.35  -414.206797    2      1      
iter:  11  21:41:53  -6.06  -4.22  -414.206366    2      1      
iter:  12  21:44:19  -6.40  -4.61  -414.206388    2      1      
iter:  13  21:46:45  -6.67  -4.50  -414.206376    2      1      
iter:  14  21:49:11  -6.72  -4.38  -414.206255    2      1      
iter:  15  21:51:37  -6.98  -4.28  -414.206484    2      1      
iter:  16  21:54:03  -7.66  -4.89  -414.206343    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962661, -32.613802, 0.078263) |e|*Ang

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

Kinetic:        +19.593999
Potential:     -138.071218
External:        +0.000000
XC:            -305.455565
Entropy (-ST):   -1.564117
Local:          +10.508500
--------------------------
Free energy:   -414.988401
Extrapolated:  -414.206343

Fermi level: -6.46929

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54087    0.14926
  0   340     -6.52372    0.14062
  0   341     -6.52252    0.14000
  0   342     -6.49376    0.12464

  1   339     -6.44441    0.19472
  1   340     -6.39539    0.14366
  1   341     -6.35957    0.11123
  1   342     -6.35225    0.10524



Forces in eV/Ang:
  0 O     0.00000   -0.01752    1.17352
  1 Pt    0.00000   -0.00162   -0.37597
  2 Pt    0.00000   -0.01907   -0.43521
  3 O    -1.68371    0.00019   -0.71871
  4 O     1.68371    0.00019   -0.71871
  5 O     0.00000   -0.01128   -1.38867
  6 O     0.00000   -0.00276    1.76615
  7 Pt   -0.00000    0.01424    0.45028
  8 Pt    0.00000   -0.04106    0.75850
  9 O    -1.58137    0.00048    0.05123
 10 O     1.58137    0.00048    0.05123
 11 O     0.00000   -0.00887   -0.56616
 12 O    -0.00000    0.00791    0.12627
 13 Pt   -0.00000    0.24884   -0.03779
 14 Pt    0.00000   -0.02006    0.00515
 15 O    -0.00001    0.01061    0.00317
 16 O     0.00001    0.01061    0.00317
 17 O    -0.00000    0.00680   -0.92576
 18 O    -0.00000    0.00106    0.02509
 19 Pt    0.00000   -0.02801    0.10494
 20 Pt    0.00000   -0.04887    0.12131
 21 O    -0.20078    0.35935    0.21482
 22 O     0.20078    0.35935    0.21482
 23 O     0.00000   -0.01660   -0.07449
 24 O     0.00000   -0.00079    1.14958
 25 Pt   -0.00000    0.01617   -0.37887
 26 Pt    0.00000   -0.00019   -0.43519
 27 O    -1.69225    0.01343   -0.71804
 28 O     1.69225    0.01343   -0.71804
 29 O    -0.00000    0.04716   -1.38833
 30 O     0.00000   -0.00445    1.83096
 31 Pt   -0.00000    0.01883    0.51010
 32 Pt    0.00000   -0.14571    0.57540
 33 O    -1.61424   -0.01894    0.07039
 34 O     1.61424   -0.01894    0.07039
 35 O     0.00000   -0.03246   -0.52497
 36 O    -0.00000    0.20071   -0.11292
 37 Pt    0.00000   -0.27935   -0.04187
 38 Pt    0.00000   -0.00406   -0.01217
 39 O     0.01062    0.01155    0.01542
 40 O    -0.01062    0.01155    0.01542
 41 O     0.00000    0.00173   -0.01396
 42 O    -0.00000    0.03054   -0.01522
 43 Pt    0.00000   -0.00421    0.06765
 44 Pt    0.00000   -0.07412    0.01796
 45 O    -0.18062   -0.34759    0.17629
 46 O     0.18062   -0.34759    0.17629
 47 O     0.00000   -0.02276   -0.04389
 48 O    -0.00000    0.02221    1.17157
 49 Pt    0.00000   -0.02267   -0.37810
 50 Pt   -0.00000    0.02118   -0.43680
 51 O    -1.69149   -0.01394   -0.71835
 52 O     1.69149   -0.01394   -0.71835
 53 O     0.00000   -0.01300   -1.40481
 54 O     0.00000   -0.00205    1.77366
 55 Pt    0.00000   -0.01217    0.51546
 56 Pt   -0.00000    0.12789    0.65081
 57 O    -1.61411    0.01377    0.09195
 58 O     1.61411    0.01377    0.09195
 59 O     0.00000   -0.02123   -0.51643
 60 O     0.00000   -0.19083   -0.11111
 61 Pt   -0.00000    0.00998   -0.08470
 62 Pt   -0.00000    0.01747   -0.00744
 63 O    -0.01349   -0.00779    0.00255
 64 O     0.01349   -0.00779    0.00255
 65 O     0.00000   -0.00192   -0.00245
 66 O     0.00000   -0.00954   -0.00264
 67 Pt   -0.00000    0.00794    0.02383
 68 Pt   -0.00000    0.15408    0.01437
 69 O    -0.00829   -0.00305   -0.02273
 70 O     0.00829   -0.00305   -0.02273
 71 O    -0.00000    0.00836   -0.04126
 72 N    -0.00000    0.77469    0.61155
 73 N     0.00000   -0.89208   -0.34626

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.041050   24.456794    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.108099   23.874981    ( 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  21:59:22  -2.40   +inf  -414.265787    3      1      
iter:   2  22:01:48  -3.00  -2.76  -415.477813    3      1      
iter:   3  22:04:15  -3.38  -2.06  -414.216006    3      1      
iter:   4  22:06:41  -4.02  -3.24  -414.219190    3      1      
iter:   5  22:09:08  -4.49  -3.58  -414.213947    3      1      
iter:   6  22:11:35  -4.29  -3.68  -414.211535    3      1      
iter:   7  22:14:01  -4.85  -3.75  -414.213452    3      1      
iter:   8  22:16:28  -4.96  -3.85  -414.213062    3      1      
iter:   9  22:18:54  -5.35  -3.92  -414.212531    2      1      
iter:  10  22:21:20  -5.57  -3.89  -414.213854    2      1      
iter:  11  22:23:46  -5.51  -3.97  -414.211826    3      1      
iter:  12  22:26:12  -5.75  -4.06  -414.212494    2      1      
iter:  13  22:28:39  -6.44  -4.64  -414.212482    2      1      
iter:  14  22:31:05  -6.23  -4.71  -414.212547    2      1      
iter:  15  22:33:32  -6.62  -4.36  -414.212781    2      1      
iter:  16  22:35:57  -6.85  -4.21  -414.212122    2      1      
iter:  17  22:38:23  -7.24  -4.53  -414.212498    2      1      
iter:  18  22:40:50  -7.45  -4.80  -414.212403    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962630, -32.615266, 0.077320) |e|*Ang

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

Kinetic:        +19.494523
Potential:     -138.006100
External:        +0.000000
XC:            -305.426268
Entropy (-ST):   -1.564071
Local:          +10.507478
--------------------------
Free energy:   -414.994438
Extrapolated:  -414.212403

Fermi level: -6.46955

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54080    0.14910
  0   340     -6.52413    0.14070
  0   341     -6.52295    0.14009
  0   342     -6.49401    0.12463

  1   339     -6.44476    0.19481
  1   340     -6.39576    0.14376
  1   341     -6.35982    0.11122
  1   342     -6.35275    0.10543



Forces in eV/Ang:
  0 O     0.00000   -0.01752    1.17396
  1 Pt    0.00000   -0.00166   -0.37523
  2 Pt    0.00000   -0.01905   -0.43407
  3 O    -1.68315    0.00020   -0.71858
  4 O     1.68315    0.00020   -0.71858
  5 O     0.00000   -0.01125   -1.38918
  6 O     0.00000   -0.00277    1.76811
  7 Pt   -0.00000    0.01413    0.45106
  8 Pt    0.00000   -0.04112    0.75905
  9 O    -1.58135    0.00032    0.05098
 10 O     1.58135    0.00032    0.05098
 11 O     0.00000   -0.00885   -0.56592
 12 O    -0.00000    0.00808    0.12666
 13 Pt   -0.00000    0.25007   -0.03628
 14 Pt    0.00000   -0.02017    0.00584
 15 O    -0.00017    0.01069    0.00331
 16 O     0.00017    0.01069    0.00331
 17 O    -0.00000    0.00808   -0.92618
 18 O    -0.00000    0.00061    0.02520
 19 Pt    0.00000   -0.02769    0.10310
 20 Pt    0.00000   -0.05114    0.12449
 21 O    -0.20141    0.36023    0.21246
 22 O     0.20141    0.36023    0.21246
 23 O     0.00000   -0.01557   -0.07642
 24 O     0.00000   -0.00081    1.15002
 25 Pt   -0.00000    0.01623   -0.37812
 26 Pt    0.00000   -0.00023   -0.43402
 27 O    -1.69170    0.01343   -0.71793
 28 O     1.69170    0.01343   -0.71793
 29 O    -0.00000    0.04704   -1.38889
 30 O     0.00000   -0.00451    1.83311
 31 Pt   -0.00000    0.01893    0.51092
 32 Pt    0.00000   -0.14552    0.57611
 33 O    -1.61419   -0.01882    0.07015
 34 O     1.61419   -0.01882    0.07015
 35 O     0.00000   -0.03252   -0.52467
 36 O    -0.00000    0.20120   -0.11348
 37 Pt    0.00000   -0.28068   -0.04089
 38 Pt    0.00000   -0.00403   -0.01177
 39 O     0.01052    0.01159    0.01549
 40 O    -0.01052    0.01159    0.01549
 41 O     0.00000    0.00195   -0.00955
 42 O    -0.00000    0.03077   -0.01510
 43 Pt    0.00000   -0.00410    0.07090
 44 Pt    0.00000   -0.07672    0.02278
 45 O    -0.18537   -0.35043    0.18560
 46 O     0.18537   -0.35043    0.18560
 47 O     0.00000   -0.02330   -0.04522
 48 O    -0.00000    0.02223    1.17201
 49 Pt    0.00000   -0.02268   -0.37733
 50 Pt   -0.00000    0.02120   -0.43562
 51 O    -1.69093   -0.01394   -0.71821
 52 O     1.69093   -0.01394   -0.71821
 53 O     0.00000   -0.01293   -1.40527
 54 O     0.00000   -0.00197    1.77594
 55 Pt    0.00000   -0.01215    0.51630
 56 Pt   -0.00000    0.12776    0.65144
 57 O    -1.61413    0.01381    0.09165
 58 O     1.61413    0.01381    0.09165
 59 O     0.00000   -0.02119   -0.51615
 60 O     0.00000   -0.19156   -0.11156
 61 Pt   -0.00000    0.00986   -0.08401
 62 Pt   -0.00000    0.01754   -0.00692
 63 O    -0.01396   -0.00790    0.00256
 64 O     0.01396   -0.00790    0.00256
 65 O     0.00000   -0.00167    0.00102
 66 O     0.00000   -0.00920   -0.00273
 67 Pt   -0.00000    0.00747    0.02313
 68 Pt   -0.00000    0.15464    0.01198
 69 O    -0.00910   -0.00348   -0.02351
 70 O     0.00910   -0.00348   -0.02351
 71 O    -0.00000    0.00792   -0.04302
 72 N    -0.00000    0.65421    0.62016
 73 N     0.00000   -0.75845   -0.37383

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.009878   24.481640    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.083908   23.885725    ( 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  22:46:09  -2.41   +inf  -414.224787    3      1      
iter:   2  22:48:36  -3.32  -3.44  -414.225220    3      1      
iter:   3  22:51:02  -3.86  -3.17  -414.226391    3      1      
iter:   4  22:53:28  -4.29  -3.15  -414.225675    3      1      
iter:   5  22:55:54  -4.22  -3.50  -414.219883    3      1      
iter:   6  22:58:21  -4.38  -3.77  -414.219946    3      1      
iter:   7  23:00:47  -4.94  -3.95  -414.220295    2      1      
iter:   8  23:03:15  -5.24  -4.00  -414.220473    3      1      
iter:   9  23:05:42  -5.35  -4.09  -414.219865    3      1      
iter:  10  23:08:08  -5.92  -4.34  -414.219985    2      1      
iter:  11  23:10:35  -6.44  -4.53  -414.219745    2      1      
iter:  12  23:13:02  -6.61  -4.58  -414.219670    2      1      
iter:  13  23:15:29  -6.65  -4.40  -414.220156    2      1      
iter:  14  23:17:55  -6.96  -4.21  -414.219762    2      1      
iter:  15  23:20:21  -7.04  -4.74  -414.219896    2      1      
iter:  16  23:22:49  -7.23  -4.90  -414.219822    2      1      
iter:  17  23:25:16  -7.60  -4.98  -414.219841    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962662, -32.618204, 0.078468) |e|*Ang

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

Kinetic:        +19.169045
Potential:     -137.757724
External:        +0.000000
XC:            -305.357211
Entropy (-ST):   -1.563960
Local:          +10.508029
--------------------------
Free energy:   -415.001822
Extrapolated:  -414.219841

Fermi level: -6.46885

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53994    0.14902
  0   340     -6.52347    0.14072
  0   341     -6.52230    0.14012
  0   342     -6.49333    0.12464

  1   339     -6.44391    0.19466
  1   340     -6.39511    0.14381
  1   341     -6.35909    0.11119
  1   342     -6.35229    0.10562



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17391
  1 Pt    0.00000   -0.00164   -0.37617
  2 Pt    0.00000   -0.01907   -0.43496
  3 O    -1.68317    0.00020   -0.71871
  4 O     1.68317    0.00020   -0.71871
  5 O     0.00000   -0.01121   -1.38903
  6 O     0.00000   -0.00271    1.76771
  7 Pt   -0.00000    0.01409    0.45077
  8 Pt    0.00000   -0.04113    0.75888
  9 O    -1.58096    0.00037    0.05093
 10 O     1.58096    0.00037    0.05093
 11 O     0.00000   -0.00885   -0.56627
 12 O    -0.00000    0.00805    0.12669
 13 Pt   -0.00000    0.25078   -0.03568
 14 Pt    0.00000   -0.02036    0.00652
 15 O     0.00026    0.01059    0.00353
 16 O    -0.00026    0.01059    0.00353
 17 O    -0.00000    0.00921   -0.92899
 18 O    -0.00000    0.00064    0.02516
 19 Pt    0.00000   -0.02768    0.10297
 20 Pt    0.00000   -0.05512    0.12251
 21 O    -0.20158    0.36053    0.21207
 22 O     0.20158    0.36053    0.21207
 23 O     0.00000   -0.01613   -0.07696
 24 O     0.00000   -0.00079    1.14996
 25 Pt   -0.00000    0.01623   -0.37900
 26 Pt    0.00000   -0.00022   -0.43493
 27 O    -1.69170    0.01342   -0.71805
 28 O     1.69170    0.01342   -0.71805
 29 O    -0.00000    0.04695   -1.38896
 30 O     0.00000   -0.00460    1.83280
 31 Pt   -0.00000    0.01895    0.51057
 32 Pt    0.00000   -0.14537    0.57628
 33 O    -1.61379   -0.01887    0.07007
 34 O     1.61379   -0.01887    0.07007
 35 O     0.00000   -0.03249   -0.52487
 36 O    -0.00000    0.20210   -0.11400
 37 Pt    0.00000   -0.28155   -0.04048
 38 Pt    0.00000   -0.00377   -0.01146
 39 O     0.01104    0.01166    0.01580
 40 O    -0.01104    0.01166    0.01580
 41 O     0.00000    0.00239   -0.00829
 42 O    -0.00000    0.03064   -0.01532
 43 Pt    0.00000   -0.00396    0.07176
 44 Pt    0.00000   -0.07718    0.02241
 45 O    -0.18648   -0.35198    0.18899
 46 O     0.18648   -0.35198    0.18899
 47 O     0.00000   -0.02296   -0.04569
 48 O    -0.00000    0.02222    1.17193
 49 Pt    0.00000   -0.02271   -0.37832
 50 Pt   -0.00000    0.02120   -0.43658
 51 O    -1.69095   -0.01394   -0.71836
 52 O     1.69095   -0.01394   -0.71836
 53 O     0.00000   -0.01289   -1.40538
 54 O     0.00000   -0.00194    1.77568
 55 Pt    0.00000   -0.01212    0.51611
 56 Pt   -0.00000    0.12763    0.65163
 57 O    -1.61370    0.01379    0.09161
 58 O     1.61370    0.01379    0.09161
 59 O     0.00000   -0.02122   -0.51620
 60 O     0.00000   -0.19249   -0.11213
 61 Pt   -0.00000    0.00991   -0.08392
 62 Pt   -0.00000    0.01742   -0.00674
 63 O    -0.01365   -0.00785    0.00265
 64 O     0.01365   -0.00785    0.00265
 65 O     0.00000   -0.00173    0.00187
 66 O     0.00000   -0.00912   -0.00309
 67 Pt   -0.00000    0.00739    0.02347
 68 Pt   -0.00000    0.15551    0.01186
 69 O    -0.00923   -0.00369   -0.02323
 70 O     0.00923   -0.00369   -0.02323
 71 O    -0.00000    0.00807   -0.04289
 72 N    -0.00000    0.45505    0.43318
 73 N     0.00000   -0.51585   -0.24891

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    2.980351   24.506512    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.059876   23.895818    ( 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  23:30:36  -2.44   +inf  -414.238777    3      1      
iter:   2  23:33:04  -3.19  -2.95  -414.759569    3      1      
iter:   3  23:35:31  -3.65  -2.25  -414.234968    3      1      
iter:   4  23:37:56  -4.19  -3.38  -414.227984    3      1      
iter:   5  23:40:23  -4.38  -3.50  -414.227238    3      1      
iter:   6  23:42:51  -4.39  -3.58  -414.226559    2      1      
iter:   7  23:45:18  -4.75  -3.74  -414.225273    3      1      
iter:   8  23:47:45  -5.11  -4.11  -414.225317    2      1      
iter:   9  23:50:11  -5.19  -4.23  -414.224833    2      1      
iter:  10  23:52:39  -5.66  -4.25  -414.225850    3      1      
iter:  11  23:55:06  -6.19  -4.14  -414.225078    2      1      
iter:  12  23:57:33  -6.72  -4.42  -414.225166    2      1      
iter:  13  00:00:00  -6.70  -4.38  -414.225483    2      1      
iter:  14  00:02:28  -6.59  -4.31  -414.225361    2      1      
iter:  15  00:04:55  -6.82  -4.56  -414.225373    2      1      
iter:  16  00:07:21  -7.12  -4.63  -414.225194    2      1      
iter:  17  00:09:48  -7.60  -4.80  -414.225343    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962631, -32.619961, 0.078483) |e|*Ang

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

Kinetic:        +18.613800
Potential:     -137.334227
External:        +0.000000
XC:            -305.231879
Entropy (-ST):   -1.563880
Local:          +10.508902
--------------------------
Free energy:   -415.007283
Extrapolated:  -414.225343

Fermi level: -6.46907

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54021    0.14905
  0   340     -6.52361    0.14068
  0   341     -6.52244    0.14008
  0   342     -6.49364    0.12469

  1   339     -6.44399    0.19450
  1   340     -6.39527    0.14376
  1   341     -6.35929    0.11118
  1   342     -6.35278    0.10584



Forces in eV/Ang:
  0 O     0.00000   -0.01752    1.17427
  1 Pt    0.00000   -0.00165   -0.37636
  2 Pt    0.00000   -0.01905   -0.43530
  3 O    -1.68384    0.00022   -0.71862
  4 O     1.68384    0.00022   -0.71862
  5 O     0.00000   -0.01123   -1.38916
  6 O     0.00000   -0.00279    1.76469
  7 Pt   -0.00000    0.01413    0.44991
  8 Pt    0.00000   -0.04122    0.75827
  9 O    -1.58097    0.00035    0.05095
 10 O     1.58097    0.00035    0.05095
 11 O     0.00000   -0.00884   -0.56603
 12 O    -0.00000    0.00829    0.12690
 13 Pt   -0.00000    0.25145   -0.03551
 14 Pt    0.00000   -0.02024    0.00693
 15 O     0.00040    0.01078    0.00396
 16 O    -0.00040    0.01078    0.00396
 17 O    -0.00000    0.01041   -0.93324
 18 O    -0.00000    0.00066    0.02578
 19 Pt    0.00000   -0.02789    0.10106
 20 Pt    0.00000   -0.05782    0.12361
 21 O    -0.20156    0.36066    0.21032
 22 O     0.20156    0.36066    0.21032
 23 O     0.00000   -0.01646   -0.07856
 24 O     0.00000   -0.00080    1.15034
 25 Pt   -0.00000    0.01626   -0.37924
 26 Pt    0.00000   -0.00024   -0.43521
 27 O    -1.69239    0.01341   -0.71796
 28 O     1.69239    0.01341   -0.71796
 29 O    -0.00000    0.04697   -1.38910
 30 O     0.00000   -0.00443    1.82980
 31 Pt   -0.00000    0.01893    0.50985
 32 Pt    0.00000   -0.14512    0.57568
 33 O    -1.61373   -0.01887    0.07013
 34 O     1.61373   -0.01887    0.07013
 35 O     0.00000   -0.03249   -0.52484
 36 O    -0.00000    0.20220   -0.11401
 37 Pt    0.00000   -0.28237   -0.04073
 38 Pt    0.00000   -0.00408   -0.01091
 39 O     0.01107    0.01158    0.01627
 40 O    -0.01107    0.01158    0.01627
 41 O     0.00000    0.00264   -0.00899
 42 O    -0.00000    0.03078   -0.01461
 43 Pt    0.00000   -0.00378    0.07136
 44 Pt    0.00000   -0.07839    0.02111
 45 O    -0.18871   -0.35399    0.19316
 46 O     0.18871   -0.35399    0.19316
 47 O     0.00000   -0.02242   -0.04733
 48 O    -0.00000    0.02223    1.17232
 49 Pt    0.00000   -0.02272   -0.37843
 50 Pt   -0.00000    0.02120   -0.43682
 51 O    -1.69161   -0.01395   -0.71827
 52 O     1.69161   -0.01395   -0.71827
 53 O     0.00000   -0.01290   -1.40540
 54 O     0.00000   -0.00203    1.77279
 55 Pt    0.00000   -0.01214    0.51513
 56 Pt   -0.00000    0.12747    0.65088
 57 O    -1.61373    0.01381    0.09155
 58 O     1.61373    0.01381    0.09155
 59 O     0.00000   -0.02122   -0.51639
 60 O     0.00000   -0.19292   -0.11202
 61 Pt   -0.00000    0.00998   -0.08379
 62 Pt   -0.00000    0.01762   -0.00599
 63 O    -0.01336   -0.00796    0.00317
 64 O     0.01336   -0.00796    0.00317
 65 O     0.00000   -0.00174    0.00128
 66 O     0.00000   -0.00920   -0.00239
 67 Pt   -0.00000    0.00742    0.02179
 68 Pt   -0.00000    0.15582    0.00958
 69 O    -0.00925   -0.00356   -0.02449
 70 O     0.00925   -0.00356   -0.02449
 71 O    -0.00000    0.00792   -0.04426
 72 N    -0.00000    0.05121    0.25097
 73 N     0.00000   -0.08404    0.04327

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    2.953958   24.529879    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.037226   23.904373    ( 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  00:15:07  -2.50   +inf  -414.238854    3      1      
iter:   2  00:17:34  -3.25  -2.94  -414.571569    4      1      
iter:   3  00:20:00  -3.66  -2.35  -414.260606    3      1      
iter:   4  00:22:26  -4.12  -2.95  -414.233469    3      1      
iter:   5  00:24:53  -4.44  -3.46  -414.229885    2      1      
iter:   6  00:27:20  -4.49  -3.74  -414.230916    3      1      
iter:   7  00:29:47  -4.54  -3.51  -414.228342    2      1      
iter:   8  00:32:13  -5.03  -4.04  -414.228330    2      1      
iter:   9  00:34:38  -5.35  -4.18  -414.229192    3      1      
iter:  10  00:37:04  -5.69  -3.98  -414.227575    3      1      
