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

User:   hao@node036.cluster
Date:   Wed Jan  5 08:56:05 2022
Arch:   x86_64
Pid:    39153
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: 128.54 MiB
  Calculator: 871.48 MiB
    Density: 59.13 MiB
      Arrays: 12.18 MiB
      Localized functions: 42.34 MiB
      Mixer: 4.61 MiB
    Hamiltonian: 10.65 MiB
      Arrays: 7.97 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 2.68 MiB
    Wavefunctions: 801.70 MiB
      Arrays psit_nG: 382.06 MiB
      Eigensolver: 412.84 MiB
      Projections: 1.14 MiB
      Projectors: 5.66 MiB

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

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

... initialized

Initializing position-dependent things.

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

                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  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    3.389114   24.067664    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.346982   23.710867    ( 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  08:59:06  +0.87   +inf  -535.826937    4      1      
iter:   2  09:01:18  -0.13  -1.04  -494.047348    33     1      
iter:   3  09:03:30  +0.14  -1.11  -612.862880    35     1      
iter:   4  09:05:44  -0.29  -1.01  -419.857304    36     1      
iter:   5  09:07:55  -0.72  -1.45  -422.901767    34     1      
iter:   6  09:10:06  -1.57  -1.42  -421.136443    4      1      
iter:   7  09:12:19  -1.94  -1.44  -418.079680    3      1      
iter:   8  09:14:30  -1.87  -1.49  -417.790349    3      1      
iter:   9  09:16:41  -1.63  -1.53  -431.326358    3      1      
iter:  10  09:18:52  -1.63  -1.46  -417.962045    4      1      
iter:  11  09:21:05  -1.67  -1.60  -416.928203    4      1      
iter:  12  09:23:16  -2.22  -1.76  -415.433561    3      1      
iter:  13  09:25:27  -2.23  -1.82  -415.743508    4      1      
iter:  14  09:27:37  -2.40  -1.90  -415.649410    4      1      
iter:  15  09:29:48  -2.11  -1.93  -414.845851    3      1      
iter:  16  09:31:59  -2.59  -2.06  -414.149543    4      1      
iter:  17  09:34:11  -2.64  -2.37  -414.155565    3      1      
iter:  18  09:36:25  -2.92  -2.48  -414.119845    3      1      
iter:  19  09:38:36  -3.33  -2.62  -414.112053    3      1      
iter:  20  09:40:47  -3.43  -2.67  -414.133273    3      1      
iter:  21  09:42:57  -3.84  -2.61  -414.107300    3      1      
iter:  22  09:45:09  -3.72  -2.77  -414.096393    3      1      
iter:  23  09:47:21  -3.78  -2.86  -414.093482    2      1      
iter:  24  09:49:33  -4.07  -3.02  -414.092626    2      1      
iter:  25  09:51:47  -4.33  -3.24  -414.091153    3      1      
iter:  26  09:53:58  -4.65  -3.32  -414.089157    2      1      
iter:  27  09:56:09  -4.88  -3.43  -414.090843    3      1      
iter:  28  09:58:20  -4.97  -3.52  -414.089552    3      1      
iter:  29  10:00:33  -5.23  -3.50  -414.088483    2      1      
iter:  30  10:02:48  -5.24  -3.78  -414.089372    2      1      
iter:  31  10:04:58  -5.55  -3.85  -414.089323    2      1      
iter:  32  10:07:09  -5.88  -3.87  -414.089432    2      1      
iter:  33  10:09:20  -6.18  -3.99  -414.089209    2      1      
iter:  34  10:11:30  -6.34  -4.06  -414.089440    2      1      
iter:  35  10:13:42  -6.39  -4.06  -414.089646    2      1      
iter:  36  10:15:52  -6.72  -4.13  -414.089343    2      1      
iter:  37  10:17:39  -6.60  -4.20  -414.089423    2      1      
iter:  38  10:19:26  -6.63  -4.53  -414.089263    2      1      
iter:  39  10:21:13  -7.16  -4.67  -414.089322    2      1      
iter:  40  10:23:00  -7.16  -4.69  -414.089312    2      1      
iter:  41  10:24:47  -7.32  -4.74  -414.089342    2      1      
iter:  42  10:26:34  -7.51  -4.80  -414.089440    2      1      

Converged after 42 iterations.

Dipole moment: (-55.962514, -32.588851, 0.072717) |e|*Ang

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

Kinetic:        +20.294836
Potential:     -138.512601
External:        +0.000000
XC:            -305.603634
Entropy (-ST):   -1.563772
Local:          +10.513845
--------------------------
Free energy:   -414.871326
Extrapolated:  -414.089440

Fermi level: -6.47317

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54596    0.14985
  0   340     -6.52807    0.14087
  0   341     -6.52679    0.14020
  0   342     -6.49610    0.12379

  1   339     -6.44856    0.19501
  1   340     -6.39983    0.14419
  1   341     -6.36533    0.11280
  1   342     -6.35213    0.10205



Forces in eV/Ang:
  0 O     0.00000   -0.01725    1.17377
  1 Pt    0.00000   -0.00161   -0.37486
  2 Pt    0.00000   -0.01902   -0.43520
  3 O    -1.68207    0.00020   -0.71849
  4 O     1.68207    0.00020   -0.71849
  5 O     0.00000   -0.01190   -1.38708
  6 O     0.00000   -0.00256    1.76965
  7 Pt   -0.00000    0.01396    0.45162
  8 Pt    0.00000   -0.03946    0.75576
  9 O    -1.58024    0.00047    0.05146
 10 O     1.58024    0.00047    0.05146
 11 O     0.00000   -0.00896   -0.56494
 12 O    -0.00000    0.00819    0.13174
 13 Pt   -0.00000    0.24698   -0.03582
 14 Pt    0.00000   -0.01925    0.00862
 15 O    -0.00103    0.00972    0.00346
 16 O     0.00103    0.00972    0.00346
 17 O     0.00000   -0.00288   -0.91190
 18 O    -0.00000    0.00280    0.02327
 19 Pt    0.00000   -0.02630    0.10833
 20 Pt    0.00000   -0.00388    0.14185
 21 O    -0.20050    0.35366    0.21062
 22 O     0.20050    0.35366    0.21062
 23 O     0.00000   -0.01591   -0.07926
 24 O     0.00000   -0.00103    1.14986
 25 Pt   -0.00000    0.01573   -0.37827
 26 Pt    0.00000   -0.00024   -0.43529
 27 O    -1.69069    0.01345   -0.71771
 28 O     1.69069    0.01345   -0.71771
 29 O    -0.00000    0.04797   -1.38566
 30 O     0.00000   -0.00472    1.83465
 31 Pt   -0.00000    0.01900    0.51091
 32 Pt    0.00000   -0.14817    0.57089
 33 O    -1.61374   -0.01891    0.07051
 34 O     1.61374   -0.01891    0.07051
 35 O     0.00000   -0.03242   -0.52380
 36 O    -0.00000    0.19771   -0.10468
 37 Pt    0.00000   -0.27766   -0.03549
 38 Pt    0.00000   -0.00472   -0.00910
 39 O     0.00934    0.01165    0.01524
 40 O    -0.00934    0.01165    0.01524
 41 O     0.00000   -0.00496    0.00177
 42 O    -0.00000    0.02782   -0.01632
 43 Pt    0.00000   -0.00653    0.03559
 44 Pt    0.00000   -0.07487    0.01014
 45 O    -0.13246   -0.32487    0.05012
 46 O     0.13246   -0.32487    0.05012
 47 O     0.00000   -0.02205   -0.04863
 48 O    -0.00000    0.02213    1.17183
 49 Pt    0.00000   -0.02227   -0.37706
 50 Pt   -0.00000    0.02117   -0.43629
 51 O    -1.68982   -0.01397   -0.71812
 52 O     1.68982   -0.01397   -0.71812
 53 O     0.00000   -0.01305   -1.40366
 54 O     0.00000   -0.00196    1.77676
 55 Pt    0.00000   -0.01213    0.51678
 56 Pt   -0.00000    0.12853    0.64825
 57 O    -1.61302    0.01382    0.09243
 58 O     1.61302    0.01382    0.09243
 59 O     0.00000   -0.02115   -0.51542
 60 O     0.00000   -0.18815   -0.10649
 61 Pt   -0.00000    0.01146   -0.08124
 62 Pt   -0.00000    0.01740   -0.00588
 63 O    -0.01433   -0.00718    0.00280
 64 O     0.01433   -0.00718    0.00280
 65 O     0.00000   -0.00095    0.00560
 66 O     0.00000   -0.00938   -0.00282
 67 Pt   -0.00000    0.00766    0.02549
 68 Pt   -0.00000    0.14847    0.01389
 69 O    -0.00993    0.00170   -0.02979
 70 O     0.00993    0.00170   -0.02979
 71 O    -0.00000    0.00738   -0.04655
 72 N    -0.00000    0.56456    0.48628
 73 N     0.00000   -0.65414    0.00098

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    3.391571   24.068856    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.344831   23.709958    ( 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  10:32:37  -3.87   +inf  -414.234921    3      1      
iter:   2  10:34:24  -2.76  -2.51  -418.139832    3      1      
iter:   3  10:36:11  -3.13  -1.83  -414.142132    3      1      
iter:   4  10:37:59  -3.64  -2.84  -414.096351    3      1      
iter:   5  10:39:47  -4.11  -3.60  -414.095618    3      1      
iter:   6  10:41:34  -4.70  -3.64  -414.092372    2      1      
iter:   7  10:43:21  -5.26  -3.90  -414.092671    3      1      
iter:   8  10:45:08  -5.37  -3.85  -414.091724    3      1      
iter:   9  10:46:55  -5.24  -4.16  -414.091360    3      1      
iter:  10  10:48:42  -5.43  -4.14  -414.090965    2      1      
iter:  11  10:50:29  -6.03  -4.35  -414.091062    2      1      
iter:  12  10:52:16  -6.28  -4.50  -414.090798    2      1      
iter:  13  10:54:03  -6.60  -4.52  -414.091015    2      1      
iter:  14  10:55:50  -6.90  -4.36  -414.091122    2      1      
iter:  15  10:57:38  -7.06  -4.58  -414.091050    2      1      
iter:  16  10:59:25  -6.86  -4.79  -414.091082    2      1      
iter:  17  11:01:11  -6.87  -4.75  -414.090955    2      1      
iter:  18  11:02:54  -7.50  -5.02  -414.090963    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962284, -32.588365, 0.072367) |e|*Ang

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

Kinetic:        +19.008521
Potential:     -137.382072
External:        +0.000000
XC:            -305.439587
Entropy (-ST):   -1.563953
Local:          +10.504152
--------------------------
Free energy:   -414.872940
Extrapolated:  -414.090963

Fermi level: -6.47367

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54681    0.15002
  0   340     -6.52841    0.14079
  0   341     -6.52711    0.14011
  0   342     -6.49670    0.12385

  1   339     -6.44906    0.19501
  1   340     -6.40019    0.14406
  1   341     -6.36593    0.11289
  1   342     -6.35268    0.10210



Forces in eV/Ang:
  0 O     0.00000   -0.01724    1.17415
  1 Pt    0.00000   -0.00161   -0.37393
  2 Pt    0.00000   -0.01900   -0.43375
  3 O    -1.68309    0.00021   -0.71840
  4 O     1.68309    0.00021   -0.71840
  5 O     0.00000   -0.01191   -1.38770
  6 O     0.00000   -0.00258    1.76818
  7 Pt   -0.00000    0.01394    0.45122
  8 Pt    0.00000   -0.03942    0.75506
  9 O    -1.58092    0.00047    0.05162
 10 O     1.58092    0.00047    0.05162
 11 O     0.00000   -0.00895   -0.56490
 12 O    -0.00000    0.00823    0.13216
 13 Pt   -0.00000    0.24734   -0.03625
 14 Pt    0.00000   -0.01917    0.00795
 15 O    -0.00087    0.00972    0.00398
 16 O     0.00087    0.00972    0.00398
 17 O     0.00000   -0.00290   -0.91479
 18 O    -0.00000    0.00298    0.02387
 19 Pt    0.00000   -0.02668    0.10449
 20 Pt   -0.00000    0.00034    0.14787
 21 O    -0.19983    0.35297    0.20763
 22 O     0.19983    0.35297    0.20763
 23 O     0.00000   -0.01654   -0.08089
 24 O     0.00000   -0.00103    1.15027
 25 Pt   -0.00000    0.01571   -0.37736
 26 Pt    0.00000   -0.00023   -0.43385
 27 O    -1.69173    0.01344   -0.71762
 28 O     1.69173    0.01344   -0.71762
 29 O    -0.00000    0.04799   -1.38633
 30 O     0.00000   -0.00471    1.83317
 31 Pt   -0.00000    0.01901    0.51049
 32 Pt    0.00000   -0.14824    0.57018
 33 O    -1.61442   -0.01895    0.07067
 34 O     1.61442   -0.01895    0.07067
 35 O     0.00000   -0.03238   -0.52375
 36 O    -0.00000    0.19783   -0.10429
 37 Pt    0.00000   -0.27796   -0.03570
 38 Pt    0.00000   -0.00481   -0.00986
 39 O     0.00941    0.01165    0.01582
 40 O    -0.00941    0.01165    0.01582
 41 O     0.00000   -0.00519   -0.00042
 42 O    -0.00000    0.02753   -0.01556
 43 Pt    0.00000   -0.00645    0.03107
 44 Pt    0.00000   -0.07730    0.00853
 45 O    -0.13133   -0.32417    0.04606
 46 O     0.13133   -0.32417    0.04606
 47 O     0.00000   -0.02135   -0.05024
 48 O    -0.00000    0.02213    1.17222
 49 Pt    0.00000   -0.02225   -0.37614
 50 Pt   -0.00000    0.02115   -0.43481
 51 O    -1.69086   -0.01397   -0.71804
 52 O     1.69086   -0.01397   -0.71804
 53 O     0.00000   -0.01306   -1.40436
 54 O     0.00000   -0.00196    1.77531
 55 Pt    0.00000   -0.01212    0.51639
 56 Pt   -0.00000    0.12853    0.64765
 57 O    -1.61369    0.01384    0.09260
 58 O     1.61369    0.01384    0.09260
 59 O     0.00000   -0.02118   -0.51542
 60 O     0.00000   -0.18844   -0.10633
 61 Pt   -0.00000    0.01148   -0.08187
 62 Pt   -0.00000    0.01740   -0.00673
 63 O    -0.01426   -0.00716    0.00320
 64 O     0.01426   -0.00716    0.00320
 65 O     0.00000   -0.00080    0.00342
 66 O     0.00000   -0.00935   -0.00207
 67 Pt   -0.00000    0.00781    0.02184
 68 Pt   -0.00000    0.14830    0.00878
 69 O    -0.00916    0.00208   -0.03215
 70 O     0.00916    0.00208   -0.03215
 71 O    -0.00000    0.00736   -0.04774
 72 N     0.00000   -0.10681    0.25903
 73 N    -0.00000    0.01375    0.22390

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    3.389176   24.068719    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.347711   23.710644    ( 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  11:25:54  -3.99   +inf  -414.153139    4      1      
iter:   2  11:28:00  -3.26  -2.78  -415.322614    4      1      
iter:   3  11:30:04  -3.55  -2.07  -414.097658    3      1      
iter:   4  11:32:08  -4.25  -3.05  -414.095140    3      1      
iter:   5  11:34:12  -5.08  -3.58  -414.091527    3      1      
iter:   6  11:36:16  -5.07  -3.67  -414.089279    3      1      
iter:   7  11:38:20  -5.47  -3.96  -414.089790    3      1      
iter:   8  11:40:25  -5.10  -3.81  -414.089631    3      1      
iter:   9  11:42:29  -5.75  -4.30  -414.089390    2      1      
iter:  10  11:44:33  -5.70  -4.29  -414.089756    2      1      
iter:  11  11:46:37  -6.25  -4.32  -414.089353    2      1      
iter:  12  11:48:42  -6.60  -4.30  -414.089464    2      1      
iter:  13  11:50:47  -6.60  -4.28  -414.089498    2      1      
iter:  14  11:52:52  -6.56  -4.68  -414.089361    2      1      
iter:  15  11:54:57  -6.86  -4.49  -414.089392    2      1      
iter:  16  11:57:03  -6.88  -4.68  -414.089365    2      1      
iter:  17  11:59:08  -7.18  -4.87  -414.089502    2      1      
iter:  18  12:01:12  -7.46  -4.91  -414.089436    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962334, -32.588859, 0.072705) |e|*Ang

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

Kinetic:        +19.810910
Potential:     -138.011031
External:        +0.000000
XC:            -305.613802
Entropy (-ST):   -1.563910
Local:          +10.506442
--------------------------
Free energy:   -414.871391
Extrapolated:  -414.089436

Fermi level: -6.47328

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54626    0.14994
  0   340     -6.52806    0.14080
  0   341     -6.52676    0.14013
  0   342     -6.49632    0.12385

  1   339     -6.44870    0.19505
  1   340     -6.39983    0.14408
  1   341     -6.36545    0.11281
  1   342     -6.35233    0.10212



Forces in eV/Ang:
  0 O     0.00000   -0.01727    1.17347
  1 Pt    0.00000   -0.00159   -0.37454
  2 Pt    0.00000   -0.01902   -0.43444
  3 O    -1.68292    0.00019   -0.71879
  4 O     1.68292    0.00019   -0.71879
  5 O     0.00000   -0.01188   -1.38756
  6 O     0.00000   -0.00255    1.76943
  7 Pt   -0.00000    0.01398    0.45155
  8 Pt    0.00000   -0.03945    0.75550
  9 O    -1.58104    0.00049    0.05152
 10 O     1.58104    0.00049    0.05152
 11 O     0.00000   -0.00895   -0.56492
 12 O    -0.00000    0.00819    0.13214
 13 Pt   -0.00000    0.24674   -0.03732
 14 Pt    0.00000   -0.01938    0.00729
 15 O    -0.00117    0.00971    0.00342
 16 O     0.00117    0.00971    0.00342
 17 O     0.00000   -0.00308   -0.91364
 18 O    -0.00000    0.00253    0.02374
 19 Pt    0.00000   -0.02634    0.10970
 20 Pt    0.00000   -0.00521    0.13834
 21 O    -0.19927    0.35356    0.21262
 22 O     0.19927    0.35356    0.21262
 23 O     0.00000   -0.01548   -0.07922
 24 O     0.00000   -0.00101    1.14958
 25 Pt   -0.00000    0.01571   -0.37792
 26 Pt    0.00000   -0.00022   -0.43456
 27 O    -1.69154    0.01346   -0.71802
 28 O     1.69154    0.01346   -0.71802
 29 O    -0.00000    0.04797   -1.38620
 30 O     0.00000   -0.00477    1.83434
 31 Pt   -0.00000    0.01898    0.51082
 32 Pt    0.00000   -0.14821    0.57063
 33 O    -1.61456   -0.01893    0.07056
 34 O     1.61456   -0.01893    0.07056
 35 O     0.00000   -0.03241   -0.52379
 36 O    -0.00000    0.19785   -0.10456
 37 Pt    0.00000   -0.27732   -0.03713
 38 Pt    0.00000   -0.00446   -0.01022
 39 O     0.00930    0.01163    0.01495
 40 O    -0.00930    0.01163    0.01495
 41 O     0.00000   -0.00498   -0.00069
 42 O    -0.00000    0.02826   -0.01581
 43 Pt    0.00000   -0.00623    0.03653
 44 Pt    0.00000   -0.07347    0.01009
 45 O    -0.13152   -0.32433    0.05166
 46 O     0.13152   -0.32433    0.05166
 47 O     0.00000   -0.02263   -0.04827
 48 O    -0.00000    0.02214    1.17153
 49 Pt    0.00000   -0.02227   -0.37675
 50 Pt   -0.00000    0.02115   -0.43558
 51 O    -1.69069   -0.01396   -0.71844
 52 O     1.69069   -0.01396   -0.71844
 53 O     0.00000   -0.01306   -1.40422
 54 O     0.00000   -0.00193    1.77642
 55 Pt    0.00000   -0.01213    0.51676
 56 Pt   -0.00000    0.12855    0.64799
 57 O    -1.61385    0.01381    0.09253
 58 O     1.61385    0.01381    0.09253
 59 O     0.00000   -0.02115   -0.51536
 60 O     0.00000   -0.18828   -0.10634
 61 Pt   -0.00000    0.01145   -0.08263
 62 Pt   -0.00000    0.01728   -0.00685
 63 O    -0.01450   -0.00714    0.00276
 64 O     0.01450   -0.00714    0.00276
 65 O     0.00000   -0.00093    0.00362
 66 O     0.00000   -0.00953   -0.00230
 67 Pt   -0.00000    0.00745    0.02677
 68 Pt   -0.00000    0.14847    0.01682
 69 O    -0.00851    0.00130   -0.02737
 70 O     0.00851    0.00130   -0.02737
 71 O    -0.00000    0.00749   -0.04523
 72 N    -0.00000    0.61379    0.49363
 73 N     0.00000   -0.69315   -0.02063

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    3.392636   24.070613    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.344905   23.709372    ( 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  12:14:44  -3.70   +inf  -414.208869    4      1      
iter:   2  12:16:51  -2.84  -2.56  -417.352737    3      1      
iter:   3  12:18:56  -3.24  -1.87  -414.132622    3      1      
iter:   4  12:21:02  -3.79  -2.94  -414.097989    3      1      
iter:   5  12:23:08  -4.29  -3.43  -414.097345    3      1      
iter:   6  12:25:14  -4.68  -3.64  -414.093759    3      1      
iter:   7  12:27:19  -4.90  -3.77  -414.092976    3      1      
iter:   8  12:29:24  -5.11  -3.72  -414.091944    3      1      
iter:   9  12:31:29  -5.04  -4.07  -414.091392    3      1      
iter:  10  12:33:35  -5.43  -4.05  -414.090976    2      1      
iter:  11  12:35:41  -5.97  -4.27  -414.091361    2      1      
iter:  12  12:37:46  -6.08  -4.25  -414.090854    2      1      
iter:  13  12:39:52  -6.27  -4.37  -414.091092    2      1      
iter:  14  12:41:58  -6.41  -4.42  -414.091121    2      1      
iter:  15  12:44:03  -6.66  -4.62  -414.091119    2      1      
iter:  16  12:46:09  -6.89  -4.68  -414.091157    2      1      
iter:  17  12:48:14  -7.04  -4.59  -414.090970    2      1      
iter:  18  12:50:20  -7.42  -4.74  -414.091037    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962252, -32.588943, 0.072953) |e|*Ang

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

Kinetic:        +18.723642
Potential:     -137.151939
External:        +0.000000
XC:            -305.383348
Entropy (-ST):   -1.563889
Local:          +10.502553
--------------------------
Free energy:   -414.872982
Extrapolated:  -414.091037

Fermi level: -6.47303

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54603    0.14996
  0   340     -6.52789    0.14085
  0   341     -6.52661    0.14018
  0   342     -6.49599    0.12381

  1   339     -6.44846    0.19507
  1   340     -6.39964    0.14415
  1   341     -6.36533    0.11292
  1   342     -6.35197    0.10205



Forces in eV/Ang:
  0 O     0.00000   -0.01723    1.17438
  1 Pt    0.00000   -0.00162   -0.37377
  2 Pt    0.00000   -0.01899   -0.43433
  3 O    -1.68224    0.00022   -0.71830
  4 O     1.68224    0.00022   -0.71830
  5 O     0.00000   -0.01192   -1.38804
  6 O     0.00000   -0.00262    1.76968
  7 Pt   -0.00000    0.01393    0.45179
  8 Pt    0.00000   -0.03943    0.75521
  9 O    -1.58058    0.00046    0.05154
 10 O     1.58058    0.00046    0.05154
 11 O     0.00000   -0.00895   -0.56512
 12 O    -0.00000    0.00827    0.13226
 13 Pt   -0.00000    0.24731   -0.03533
 14 Pt    0.00000   -0.01911    0.00858
 15 O    -0.00095    0.00972    0.00410
 16 O     0.00095    0.00972    0.00410
 17 O     0.00000   -0.00305   -0.91275
 18 O    -0.00000    0.00297    0.02315
 19 Pt    0.00000   -0.02673    0.10466
 20 Pt   -0.00000    0.00180    0.14951
 21 O    -0.20039    0.35305    0.20632
 22 O     0.20039    0.35305    0.20632
 23 O     0.00000   -0.01672   -0.08119
 24 O     0.00000   -0.00104    1.15049
 25 Pt   -0.00000    0.01571   -0.37724
 26 Pt    0.00000   -0.00025   -0.43443
 27 O    -1.69089    0.01344   -0.71753
 28 O     1.69089    0.01344   -0.71753
 29 O    -0.00000    0.04800   -1.38665
 30 O     0.00000   -0.00466    1.83473
 31 Pt   -0.00000    0.01903    0.51110
 32 Pt    0.00000   -0.14823    0.57031
 33 O    -1.61406   -0.01895    0.07060
 34 O     1.61406   -0.01895    0.07060
 35 O     0.00000   -0.03238   -0.52395
 36 O    -0.00000    0.19768   -0.10409
 37 Pt    0.00000   -0.27782   -0.03479
 38 Pt    0.00000   -0.00490   -0.00929
 39 O     0.00927    0.01167    0.01597
 40 O    -0.00927    0.01167    0.01597
 41 O     0.00000   -0.00521    0.00227
 42 O    -0.00000    0.02745   -0.01629
 43 Pt    0.00000   -0.00656    0.03111
 44 Pt    0.00000   -0.07791    0.00911
 45 O    -0.13201   -0.32421    0.04430
 46 O     0.13201   -0.32421    0.04430
 47 O     0.00000   -0.02117   -0.05047
 48 O    -0.00000    0.02214    1.17246
 49 Pt    0.00000   -0.02224   -0.37598
 50 Pt   -0.00000    0.02116   -0.43535
 51 O    -1.69000   -0.01398   -0.71794
 52 O     1.69000   -0.01398   -0.71794
 53 O     0.00000   -0.01306   -1.40467
 54 O     0.00000   -0.00196    1.77695
 55 Pt    0.00000   -0.01212    0.51697
 56 Pt   -0.00000    0.12853    0.64777
 57 O    -1.61334    0.01386    0.09253
 58 O     1.61334    0.01386    0.09253
 59 O     0.00000   -0.02118   -0.51573
 60 O     0.00000   -0.18840   -0.10612
 61 Pt   -0.00000    0.01148   -0.08100
 62 Pt   -0.00000    0.01743   -0.00612
 63 O    -0.01431   -0.00718    0.00330
 64 O     0.01431   -0.00718    0.00330
 65 O     0.00000   -0.00082    0.00637
 66 O     0.00000   -0.00929   -0.00283
 67 Pt   -0.00000    0.00787    0.02214
 68 Pt   -0.00000    0.14856    0.00880
 69 O    -0.00957    0.00218   -0.03321
 70 O     0.00957    0.00218   -0.03321
 71 O    -0.00000    0.00735   -0.04804
 72 N     0.00000   -0.30966    0.18779
 73 N    -0.00000    0.21924    0.29840

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    3.391514   24.071042    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.346789   23.709681    ( 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  13:00:06  -4.53   +inf  -414.098490    3      1      
iter:   2  13:02:12  -4.61  -3.39  -414.124653    3      1      
iter:   3  13:04:17  -4.72  -2.83  -414.090851    3      1      
iter:   4  13:06:22  -5.26  -3.41  -414.092046    3      1      
iter:   5  13:08:26  -5.86  -4.06  -414.091374    3      1      
iter:   6  13:10:31  -5.43  -3.91  -414.091304    3      1      
iter:   7  13:12:36  -5.43  -4.23  -414.091384    3      1      
iter:   8  13:14:41  -5.91  -4.49  -414.091401    2      1      
iter:   9  13:16:47  -6.73  -4.49  -414.091326    2      1      
iter:  10  13:18:52  -7.08  -4.51  -414.091531    2      1      
iter:  11  13:20:57  -7.37  -4.69  -414.091299    2      1      
iter:  12  13:23:01  -7.09  -4.65  -414.091402    2      1      
iter:  13  13:25:03  -6.91  -4.98  -414.091328    2      1      
iter:  14  13:27:05  -6.92  -4.87  -414.091390    2      1      
iter:  15  13:29:07  -7.58  -5.24  -414.091407    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962331, -32.588612, 0.072083) |e|*Ang

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

Kinetic:        +19.117147
Potential:     -137.459137
External:        +0.000000
XC:            -305.473236
Entropy (-ST):   -1.563940
Local:          +10.505789
--------------------------
Free energy:   -414.873377
Extrapolated:  -414.091407

Fermi level: -6.47408

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54723    0.15003
  0   340     -6.52875    0.14075
  0   341     -6.52744    0.14007
  0   342     -6.49715    0.12387

  1   339     -6.44945    0.19499
  1   340     -6.40056    0.14403
  1   341     -6.36628    0.11284
  1   342     -6.35313    0.10213



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17352
  1 Pt    0.00000   -0.00160   -0.37505
  2 Pt    0.00000   -0.01901   -0.43536
  3 O    -1.68340    0.00020   -0.71901
  4 O     1.68340    0.00020   -0.71901
  5 O     0.00000   -0.01188   -1.38758
  6 O     0.00000   -0.00253    1.76734
  7 Pt   -0.00000    0.01395    0.45097
  8 Pt    0.00000   -0.03941    0.75531
  9 O    -1.58105    0.00049    0.05148
 10 O     1.58105    0.00049    0.05148
 11 O     0.00000   -0.00893   -0.56510
 12 O    -0.00000    0.00823    0.13214
 13 Pt   -0.00000    0.24662   -0.03823
 14 Pt    0.00000   -0.01941    0.00678
 15 O    -0.00088    0.00966    0.00315
 16 O     0.00088    0.00966    0.00315
 17 O     0.00000   -0.00336   -0.91523
 18 O    -0.00000    0.00249    0.02424
 19 Pt    0.00000   -0.02612    0.10959
 20 Pt    0.00000   -0.00208    0.14449
 21 O    -0.19876    0.35301    0.21297
 22 O     0.19876    0.35301    0.21297
 23 O     0.00000   -0.01591   -0.07987
 24 O     0.00000   -0.00102    1.14964
 25 Pt   -0.00000    0.01570   -0.37843
 26 Pt    0.00000   -0.00022   -0.43546
 27 O    -1.69202    0.01345   -0.71823
 28 O     1.69202    0.01345   -0.71823
 29 O    -0.00000    0.04798   -1.38621
 30 O     0.00000   -0.00478    1.83231
 31 Pt   -0.00000    0.01900    0.51021
 32 Pt    0.00000   -0.14828    0.57038
 33 O    -1.61457   -0.01894    0.07051
 34 O     1.61457   -0.01894    0.07051
 35 O     0.00000   -0.03242   -0.52394
 36 O    -0.00000    0.19757   -0.10428
 37 Pt    0.00000   -0.27710   -0.03807
 38 Pt    0.00000   -0.00448   -0.01085
 39 O     0.00955    0.01167    0.01468
 40 O    -0.00955    0.01167    0.01468
 41 O     0.00000   -0.00504   -0.00272
 42 O    -0.00000    0.02821   -0.01537
 43 Pt    0.00000   -0.00648    0.03602
 44 Pt    0.00000   -0.07460    0.01186
 45 O    -0.13070   -0.32353    0.05090
 46 O     0.13070   -0.32353    0.05090
 47 O     0.00000   -0.02225   -0.04851
 48 O    -0.00000    0.02214    1.17158
 49 Pt    0.00000   -0.02225   -0.37727
 50 Pt   -0.00000    0.02115   -0.43647
 51 O    -1.69117   -0.01396   -0.71865
 52 O     1.69117   -0.01396   -0.71865
 53 O     0.00000   -0.01307   -1.40426
 54 O     0.00000   -0.00194    1.77442
 55 Pt    0.00000   -0.01212    0.51618
 56 Pt   -0.00000    0.12856    0.64780
 57 O    -1.61384    0.01382    0.09249
 58 O     1.61384    0.01382    0.09249
 59 O     0.00000   -0.02116   -0.51552
 60 O     0.00000   -0.18816   -0.10614
 61 Pt   -0.00000    0.01150   -0.08337
 62 Pt   -0.00000    0.01731   -0.00746
 63 O    -0.01426   -0.00712    0.00245
 64 O     0.01426   -0.00712    0.00245
 65 O     0.00000   -0.00092    0.00187
 66 O     0.00000   -0.00945   -0.00193
 67 Pt   -0.00000    0.00737    0.02678
 68 Pt   -0.00000    0.14834    0.01734
 69 O    -0.00834    0.00148   -0.02714
 70 O     0.00834    0.00148   -0.02714
 71 O    -0.00000    0.00753   -0.04522
 72 N    -0.00000    0.06733    0.30431
 73 N     0.00000   -0.14233    0.17000

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    3.393433   24.072484    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.345794   23.709066    ( 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  13:42:31  -4.33   +inf  -414.098029    3      1      
iter:   2  13:44:35  -3.83  -3.04  -414.427508    3      1      
iter:   3  13:46:39  -4.12  -2.35  -414.103886    3      1      
iter:   4  13:48:44  -4.73  -3.27  -414.093202    3      1      
iter:   5  13:50:47  -5.21  -3.79  -414.092075    3      1      
iter:   6  13:52:47  -5.54  -4.16  -414.092313    3      1      
iter:   7  13:54:42  -5.36  -3.87  -414.091130    3      1      
iter:   8  13:56:36  -5.39  -4.33  -414.091237    3      1      
iter:   9  13:58:30  -5.99  -4.35  -414.091266    2      1      
iter:  10  14:00:24  -6.54  -4.49  -414.091042    2      1      
iter:  11  14:02:19  -6.88  -4.52  -414.091266    2      1      
iter:  12  14:04:13  -6.82  -4.70  -414.091152    2      1      
iter:  13  14:06:08  -7.28  -4.73  -414.091292    2      1      
iter:  14  14:08:03  -7.29  -4.41  -414.091224    2      1      
iter:  15  14:09:57  -7.31  -5.01  -414.091213    2      1      
iter:  16  14:11:51  -7.48  -4.92  -414.091219    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962300, -32.588741, 0.072334) |e|*Ang

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

Kinetic:        +18.600304
Potential:     -137.051173
External:        +0.000000
XC:            -305.362236
Entropy (-ST):   -1.563891
Local:          +10.503832
--------------------------
Free energy:   -414.873164
Extrapolated:  -414.091219

Fermi level: -6.47365

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54675    0.15001
  0   340     -6.52844    0.14081
  0   341     -6.52714    0.14014
  0   342     -6.49666    0.12384

  1   339     -6.44903    0.19501
  1   340     -6.40021    0.14411
  1   341     -6.36592    0.11290
  1   342     -6.35262    0.10207



Forces in eV/Ang:
  0 O     0.00000   -0.01724    1.17395
  1 Pt    0.00000   -0.00161   -0.37420
  2 Pt    0.00000   -0.01899   -0.43415
  3 O    -1.68301    0.00022   -0.71861
  4 O     1.68301    0.00022   -0.71861
  5 O     0.00000   -0.01191   -1.38791
  6 O     0.00000   -0.00260    1.76855
  7 Pt   -0.00000    0.01395    0.45115
  8 Pt    0.00000   -0.03944    0.75506
  9 O    -1.58089    0.00048    0.05123
 10 O     1.58089    0.00048    0.05123
 11 O     0.00000   -0.00896   -0.56501
 12 O    -0.00000    0.00828    0.13214
 13 Pt   -0.00000    0.24709   -0.03655
 14 Pt    0.00000   -0.01917    0.00810
 15 O    -0.00096    0.00975    0.00379
 16 O     0.00096    0.00975    0.00379
 17 O     0.00000   -0.00337   -0.91380
 18 O    -0.00000    0.00289    0.02374
 19 Pt    0.00000   -0.02649    0.10558
 20 Pt   -0.00000    0.00211    0.14880
 21 O    -0.19971    0.35295    0.20851
 22 O     0.19971    0.35295    0.20851
 23 O     0.00000   -0.01655   -0.08099
 24 O     0.00000   -0.00104    1.15007
 25 Pt   -0.00000    0.01569   -0.37766
 26 Pt    0.00000   -0.00024   -0.43424
 27 O    -1.69165    0.01344   -0.71783
 28 O     1.69165    0.01344   -0.71783
 29 O    -0.00000    0.04801   -1.38655
 30 O     0.00000   -0.00467    1.83355
 31 Pt   -0.00000    0.01901    0.51046
 32 Pt    0.00000   -0.14825    0.57013
 33 O    -1.61438   -0.01895    0.07029
 34 O     1.61438   -0.01895    0.07029
 35 O     0.00000   -0.03238   -0.52386
 36 O    -0.00000    0.19765   -0.10423
 37 Pt    0.00000   -0.27745   -0.03611
 38 Pt    0.00000   -0.00481   -0.00966
 39 O     0.00930    0.01166    0.01558
 40 O    -0.00930    0.01166    0.01558
 41 O     0.00000   -0.00521   -0.00000
 42 O    -0.00000    0.02765   -0.01577
 43 Pt    0.00000   -0.00666    0.03200
 44 Pt    0.00000   -0.07691    0.00927
 45 O    -0.13134   -0.32376    0.04649
 46 O     0.13134   -0.32376    0.04649
 47 O     0.00000   -0.02143   -0.05007
 48 O    -0.00000    0.02214    1.17203
 49 Pt    0.00000   -0.02224   -0.37641
 50 Pt   -0.00000    0.02115   -0.43518
 51 O    -1.69077   -0.01398   -0.71825
 52 O     1.69077   -0.01398   -0.71825
 53 O     0.00000   -0.01306   -1.40456
 54 O     0.00000   -0.00197    1.77572
 55 Pt    0.00000   -0.01212    0.51632
 56 Pt   -0.00000    0.12854    0.64755
 57 O    -1.61366    0.01384    0.09221
 58 O     1.61366    0.01384    0.09221
 59 O     0.00000   -0.02117   -0.51561
 60 O     0.00000   -0.18839   -0.10630
 61 Pt   -0.00000    0.01145   -0.08199
 62 Pt   -0.00000    0.01739   -0.00641
 63 O    -0.01431   -0.00719    0.00301
 64 O     0.01431   -0.00719    0.00301
 65 O     0.00000   -0.00087    0.00442
 66 O     0.00000   -0.00935   -0.00231
 67 Pt   -0.00000    0.00773    0.02295
 68 Pt   -0.00000    0.14825    0.01053
 69 O    -0.00925    0.00201   -0.03137
 70 O     0.00925    0.00201   -0.03137
 71 O    -0.00000    0.00741   -0.04743
 72 N     0.00000   -0.37946    0.15398
 73 N    -0.00000    0.29961    0.32997

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    3.392164   24.072827    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.348045   23.709593    ( 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  14:21:17  -4.40   +inf  -414.105797    3      1      
iter:   2  14:23:14  -4.11  -3.19  -414.244009    3      1      
iter:   3  14:25:09  -4.31  -2.50  -414.092707    3      1      
iter:   4  14:27:03  -4.93  -3.35  -414.093110    3      1      
iter:   5  14:28:57  -5.73  -4.00  -414.091969    3      1      
iter:   6  14:30:51  -5.36  -3.85  -414.091324    3      1      
iter:   7  14:32:46  -5.40  -4.17  -414.091859    3      1      
iter:   8  14:34:41  -5.68  -4.34  -414.091725    3      1      
iter:   9  14:36:36  -6.23  -4.35  -414.091831    2      1      
iter:  10  14:38:30  -6.63  -4.65  -414.091839    2      1      
iter:  11  14:40:25  -6.84  -4.52  -414.091735    2      1      
iter:  12  14:42:19  -6.84  -4.52  -414.091945    2      1      
iter:  13  14:44:13  -6.87  -4.82  -414.091765    2      1      
iter:  14  14:46:08  -7.30  -4.99  -414.091783    2      1      
iter:  15  14:48:02  -7.62  -5.03  -414.091766    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962347, -32.588520, 0.071574) |e|*Ang

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

Kinetic:        +19.099797
Potential:     -137.444685
External:        +0.000000
XC:            -305.471254
Entropy (-ST):   -1.564001
Local:          +10.506376
--------------------------
Free energy:   -414.873767
Extrapolated:  -414.091766

Fermi level: -6.47454

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54775    0.15006
  0   340     -6.52917    0.14073
  0   341     -6.52785    0.14005
  0   342     -6.49766    0.12390

  1   339     -6.44991    0.19500
  1   340     -6.40098    0.14399
  1   341     -6.36672    0.11283
  1   342     -6.35362    0.10216



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17353
  1 Pt    0.00000   -0.00159   -0.37495
  2 Pt    0.00000   -0.01901   -0.43504
  3 O    -1.68342    0.00020   -0.71885
  4 O     1.68342    0.00020   -0.71885
  5 O     0.00000   -0.01187   -1.38747
  6 O     0.00000   -0.00251    1.76701
  7 Pt   -0.00000    0.01393    0.45066
  8 Pt    0.00000   -0.03940    0.75507
  9 O    -1.58104    0.00048    0.05141
 10 O     1.58104    0.00048    0.05141
 11 O     0.00000   -0.00894   -0.56536
 12 O    -0.00000    0.00814    0.13213
 13 Pt   -0.00000    0.24667   -0.03810
 14 Pt    0.00000   -0.01946    0.00676
 15 O    -0.00078    0.00962    0.00324
 16 O     0.00078    0.00962    0.00324
 17 O     0.00000   -0.00371   -0.91516
 18 O    -0.00000    0.00252    0.02419
 19 Pt    0.00000   -0.02620    0.10941
 20 Pt    0.00000   -0.00072    0.14559
 21 O    -0.19857    0.35285    0.21272
 22 O     0.19857    0.35285    0.21272
 23 O     0.00000   -0.01565   -0.07928
 24 O     0.00000   -0.00102    1.14964
 25 Pt   -0.00000    0.01570   -0.37831
 26 Pt    0.00000   -0.00023   -0.43514
 27 O    -1.69204    0.01345   -0.71806
 28 O     1.69204    0.01345   -0.71806
 29 O    -0.00000    0.04797   -1.38608
 30 O     0.00000   -0.00482    1.83200
 31 Pt   -0.00000    0.01901    0.50989
 32 Pt    0.00000   -0.14831    0.57011
 33 O    -1.61457   -0.01893    0.07045
 34 O     1.61457   -0.01893    0.07045
 35 O     0.00000   -0.03242   -0.52419
 36 O    -0.00000    0.19754   -0.10430
 37 Pt    0.00000   -0.27696   -0.03791
 38 Pt    0.00000   -0.00439   -0.01085
 39 O     0.00973    0.01170    0.01476
 40 O    -0.00973    0.01170    0.01476
 41 O     0.00000   -0.00507   -0.00389
 42 O    -0.00000    0.02811   -0.01540
 43 Pt    0.00000   -0.00645    0.03646
 44 Pt    0.00000   -0.07471    0.01238
 45 O    -0.13069   -0.32319    0.05149
 46 O     0.13069   -0.32319    0.05149
 47 O     0.00000   -0.02258   -0.04796
 48 O    -0.00000    0.02214    1.17158
 49 Pt    0.00000   -0.02226   -0.37716
 50 Pt   -0.00000    0.02116   -0.43616
 51 O    -1.69118   -0.01396   -0.71849
 52 O     1.69118   -0.01396   -0.71849
 53 O     0.00000   -0.01307   -1.40413
 54 O     0.00000   -0.00193    1.77411
 55 Pt    0.00000   -0.01212    0.51589
 56 Pt   -0.00000    0.12858    0.64756
 57 O    -1.61384    0.01382    0.09243
 58 O     1.61384    0.01382    0.09243
 59 O     0.00000   -0.02115   -0.51571
 60 O     0.00000   -0.18805   -0.10617
 61 Pt   -0.00000    0.01141   -0.08334
 62 Pt   -0.00000    0.01728   -0.00752
 63 O    -0.01419   -0.00710    0.00257
 64 O     0.01419   -0.00710    0.00257
 65 O     0.00000   -0.00090    0.00069
 66 O     0.00000   -0.00936   -0.00196
 67 Pt   -0.00000    0.00737    0.02653
 68 Pt   -0.00000    0.14848    0.01693
 69 O    -0.00801    0.00138   -0.02732
 70 O     0.00801    0.00138   -0.02732
 71 O    -0.00000    0.00761   -0.04492
 72 N    -0.00000    0.05998    0.29939
 73 N     0.00000   -0.13881    0.18272

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    3.393675   24.074127    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.347628   23.709252    ( 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  15:00:32  -4.64   +inf  -414.089792    3      1      
iter:   2  15:02:28  -4.85  -3.47  -414.107538    3      1      
iter:   3  15:04:22  -4.95  -3.17  -414.098546    3      1      
iter:   4  15:06:17  -5.40  -3.25  -414.092630    3      1      
iter:   5  15:08:11  -5.98  -4.02  -414.092701    3      1      
iter:   6  15:10:06  -5.67  -4.03  -414.092339    3      1      
iter:   7  15:12:01  -5.52  -4.21  -414.091986    3      1      
iter:   8  15:13:56  -6.03  -4.34  -414.091860    2      1      
iter:   9  15:15:50  -6.85  -4.68  -414.091875    2      1      
iter:  10  15:17:45  -6.93  -4.62  -414.091843    2      1      
iter:  11  15:19:38  -6.88  -4.85  -414.091881    2      1      
iter:  12  15:21:29  -7.06  -5.08  -414.091808    2      1      
iter:  13  15:23:20  -7.56  -5.10  -414.091890    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962340, -32.588809, 0.072188) |e|*Ang

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

Kinetic:        +18.706764
Potential:     -137.128547
External:        +0.000000
XC:            -305.392361
Entropy (-ST):   -1.563933
Local:          +10.504220
--------------------------
Free energy:   -414.873856
Extrapolated:  -414.091890

Fermi level: -6.47395

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54716    0.15006
  0   340     -6.52864    0.14076
  0   341     -6.52734    0.14008
  0   342     -6.49703    0.12387

  1   339     -6.44930    0.19496
  1   340     -6.40045    0.14404
  1   341     -6.36618    0.11286
  1   342     -6.35299    0.10212



Forces in eV/Ang:
  0 O     0.00000   -0.01725    1.17379
  1 Pt    0.00000   -0.00160   -0.37426
  2 Pt    0.00000   -0.01904   -0.43368
  3 O    -1.68351    0.00018   -0.71841
  4 O     1.68351    0.00018   -0.71841
  5 O     0.00000   -0.01189   -1.38756
  6 O     0.00000   -0.00257    1.76713
  7 Pt   -0.00000    0.01397    0.45051
  8 Pt    0.00000   -0.03942    0.75462
  9 O    -1.58096    0.00051    0.05110
 10 O     1.58096    0.00051    0.05110
 11 O     0.00000   -0.00896   -0.56510
 12 O    -0.00000    0.00809    0.13163
 13 Pt   -0.00000    0.24724   -0.03679
 14 Pt    0.00000   -0.01919    0.00760
 15 O    -0.00080    0.00974    0.00363
 16 O     0.00080    0.00974    0.00363
 17 O     0.00000   -0.00378   -0.91295
 18 O    -0.00000    0.00300    0.02370
 19 Pt    0.00000   -0.02645    0.10644
 20 Pt   -0.00000    0.00346    0.15221
 21 O    -0.19926    0.35285    0.20886
 22 O     0.19926    0.35285    0.20886
 23 O     0.00000   -0.01582   -0.07884
 24 O     0.00000   -0.00101    1.14991
 25 Pt   -0.00000    0.01570   -0.37767
 26 Pt    0.00000   -0.00018   -0.43380
 27 O    -1.69212    0.01345   -0.71764
 28 O     1.69212    0.01345   -0.71764
 29 O    -0.00000    0.04800   -1.38617
 30 O     0.00000   -0.00473    1.83201
 31 Pt   -0.00000    0.01899    0.50981
 32 Pt    0.00000   -0.14831    0.56969
 33 O    -1.61449   -0.01895    0.07016
 34 O     1.61449   -0.01895    0.07016
 35 O     0.00000   -0.03239   -0.52394
 36 O    -0.00000    0.19765   -0.10466
 37 Pt    0.00000   -0.27735   -0.03626
 38 Pt    0.00000   -0.00478   -0.01008
 39 O     0.00952    0.01165    0.01542
 40 O    -0.00952    0.01165    0.01542
 41 O     0.00000   -0.00518   -0.00130
 42 O    -0.00000    0.02764   -0.01583
 43 Pt    0.00000   -0.00678    0.03447
 44 Pt    0.00000   -0.07685    0.01232
 45 O    -0.13131   -0.32348    0.04874
 46 O     0.13131   -0.32348    0.04874
 47 O     0.00000   -0.02220   -0.04829
 48 O    -0.00000    0.02212    1.17187
 49 Pt    0.00000   -0.02226   -0.37649
 50 Pt   -0.00000    0.02114   -0.43481
 51 O    -1.69129   -0.01395   -0.71805
 52 O     1.69129   -0.01395   -0.71805
 53 O     0.00000   -0.01307   -1.40420
 54 O     0.00000   -0.00195    1.77394
 55 Pt    0.00000   -0.01213    0.51568
 56 Pt   -0.00000    0.12858    0.64718
 57 O    -1.61372    0.01380    0.09210
 58 O     1.61372    0.01380    0.09210
 59 O     0.00000   -0.02116   -0.51555
 60 O     0.00000   -0.18820   -0.10666
 61 Pt   -0.00000    0.01127   -0.08228
 62 Pt   -0.00000    0.01738   -0.00697
 63 O    -0.01411   -0.00718    0.00287
 64 O     0.01411   -0.00718    0.00287
 65 O     0.00000   -0.00090    0.00275
 66 O     0.00000   -0.00943   -0.00231
 67 Pt   -0.00000    0.00776    0.02339
 68 Pt   -0.00000    0.14817    0.01129
 69 O    -0.00880    0.00180   -0.03109
 70 O     0.00880    0.00180   -0.03109
 71 O    -0.00000    0.00747   -0.04631
 72 N     0.00000   -0.25283    0.19122
 73 N    -0.00000    0.16087    0.29889

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    3.393400   24.074751    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.348981   23.709600    ( 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  15:39:33  -4.93   +inf  -414.105379    3      1      
iter:   2  15:41:29  -3.92  -3.10  -414.404687    3      1      
iter:   3  15:43:33  -4.18  -2.35  -414.091828    3      1      
iter:   4  15:45:38  -5.07  -3.84  -414.093065    3      1      
iter:   5  15:47:44  -5.68  -4.28  -414.092232    2      1      
iter:   6  15:49:48  -5.91  -4.27  -414.092033    2      1      
iter:   7  15:51:53  -6.12  -4.37  -414.092266    2      1      
iter:   8  15:53:59  -6.25  -4.56  -414.092216    3      1      
iter:   9  15:56:03  -6.85  -4.82  -414.092236    2      1      
iter:  10  15:58:08  -6.57  -4.72  -414.092357    2      1      
iter:  11  16:00:13  -7.28  -4.40  -414.092165    2      1      
iter:  12  16:02:18  -7.52  -4.93  -414.092286    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962273, -32.588178, 0.070955) |e|*Ang

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

Kinetic:        +19.064692
Potential:     -137.434700
External:        +0.000000
XC:            -305.447654
Entropy (-ST):   -1.563871
Local:          +10.507311
--------------------------
Free energy:   -414.874222
Extrapolated:  -414.092286

Fermi level: -6.47486

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54806    0.15005
  0   340     -6.52957    0.14077
  0   341     -6.52826    0.14009
  0   342     -6.49797    0.12389

  1   339     -6.45021    0.19497
  1   340     -6.40136    0.14404
  1   341     -6.36707    0.11285
  1   342     -6.35390    0.10212



Forces in eV/Ang:
  0 O     0.00000   -0.01725    1.17402
  1 Pt    0.00000   -0.00160   -0.37452
  2 Pt    0.00000   -0.01901   -0.43460
  3 O    -1.68344    0.00020   -0.71877
  4 O     1.68344    0.00020   -0.71877
  5 O     0.00000   -0.01189   -1.38761
  6 O     0.00000   -0.00258    1.76753
  7 Pt   -0.00000    0.01401    0.45119
  8 Pt    0.00000   -0.03946    0.75530
  9 O    -1.58120    0.00052    0.05170
 10 O     1.58120    0.00052    0.05170
 11 O     0.00000   -0.00893   -0.56441
 12 O    -0.00000    0.00826    0.13244
 13 Pt   -0.00000    0.24633   -0.03769
 14 Pt    0.00000   -0.01924    0.00710
 15 O    -0.00119    0.00975    0.00366
 16 O     0.00119    0.00975    0.00366
 17 O     0.00000   -0.00385   -0.91383
 18 O    -0.00000    0.00275    0.02456
 19 Pt    0.00000   -0.02641    0.10623
 20 Pt   -0.00000    0.00040    0.14017
 21 O    -0.19925    0.35318    0.21091
 22 O     0.19925    0.35318    0.21091
 23 O     0.00000   -0.01704   -0.08263
 24 O     0.00000   -0.00101    1.15015
 25 Pt   -0.00000    0.01569   -0.37793
 26 Pt    0.00000   -0.00022   -0.43471
 27 O    -1.69206    0.01345   -0.71798
 28 O     1.69206    0.01345   -0.71798
 29 O    -0.00000    0.04800   -1.38636
 30 O     0.00000   -0.00473    1.83244
 31 Pt   -0.00000    0.01896    0.51053
 32 Pt    0.00000   -0.14832    0.57036
 33 O    -1.61470   -0.01896    0.07077
 34 O     1.61470   -0.01896    0.07077
 35 O     0.00000   -0.03242   -0.52329
 36 O    -0.00000    0.19759   -0.10397
 37 Pt    0.00000   -0.27661   -0.03756
 38 Pt    0.00000   -0.00462   -0.01040
 39 O     0.00910    0.01164    0.01533
 40 O    -0.00910    0.01164    0.01533
 41 O     0.00000   -0.00526   -0.00293
 42 O    -0.00000    0.02811   -0.01496
 43 Pt    0.00000   -0.00654    0.03112
 44 Pt    0.00000   -0.07366    0.00427
 45 O    -0.13061   -0.32373    0.04752
 46 O     0.13061   -0.32373    0.04752
 47 O     0.00000   -0.02069   -0.05108
 48 O    -0.00000    0.02213    1.17210
 49 Pt    0.00000   -0.02225   -0.37675
 50 Pt   -0.00000    0.02115   -0.43571
 51 O    -1.69121   -0.01396   -0.71841
 52 O     1.69121   -0.01396   -0.71841
 53 O     0.00000   -0.01307   -1.40438
 54 O     0.00000   -0.00194    1.77451
 55 Pt    0.00000   -0.01215    0.51638
 56 Pt   -0.00000    0.12862    0.64770
 57 O    -1.61398    0.01381    0.09271
 58 O     1.61398    0.01381    0.09271
 59 O     0.00000   -0.02116   -0.51501
 60 O     0.00000   -0.18828   -0.10590
 61 Pt   -0.00000    0.01155   -0.08282
 62 Pt   -0.00000    0.01727   -0.00697
 63 O    -0.01458   -0.00718    0.00297
 64 O     0.01458   -0.00718    0.00297
 65 O     0.00000   -0.00089    0.00231
 66 O     0.00000   -0.00961   -0.00134
 67 Pt   -0.00000    0.00766    0.02381
 68 Pt   -0.00000    0.14778    0.01181
 69 O    -0.00876    0.00175   -0.02963
 70 O     0.00876    0.00175   -0.02963
 71 O    -0.00000    0.00702   -0.04742
 72 N     0.00000   -0.07499    0.23734
 73 N     0.00000   -0.00631    0.23103

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    3.394808   24.075915    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.348745   23.709476    ( 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  16:15:02  -4.72   +inf  -414.090911    3      1      
iter:   2  16:17:07  -4.37  -3.29  -414.175738    3      1      
iter:   3  16:19:13  -4.48  -2.68  -414.102480    3      1      
iter:   4  16:21:18  -4.98  -3.24  -414.092920    3      1      
iter:   5  16:23:23  -5.58  -4.11  -414.092470    3      1      
iter:   6  16:25:28  -5.82  -4.31  -414.092740    3      1      
iter:   7  16:27:33  -5.77  -4.07  -414.092145    3      1      
iter:   8  16:29:38  -5.96  -4.62  -414.092181    2      1      
iter:   9  16:31:44  -6.59  -4.59  -414.092301    2      1      
iter:  10  16:33:47  -7.07  -4.62  -414.092093    2      1      
iter:  11  16:35:50  -7.37  -4.72  -414.092193    2      1      
iter:  12  16:37:51  -7.29  -4.82  -414.092137    2      1      
iter:  13  16:39:48  -7.50  -5.02  -414.092220    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962345, -32.589562, 0.073336) |e|*Ang

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

Kinetic:        +18.584541
Potential:     -137.026232
External:        +0.000000
XC:            -305.372026
Entropy (-ST):   -1.563841
Local:          +10.503417
--------------------------
Free energy:   -414.874140
Extrapolated:  -414.092220

Fermi level: -6.47270

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54563    0.14993
  0   340     -6.52759    0.14086
  0   341     -6.52630    0.14020
  0   342     -6.49566    0.12381

  1   339     -6.44810    0.19503
  1   340     -6.39934    0.14418
  1   341     -6.36494    0.11287
  1   342     -6.35165    0.10205



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17356
  1 Pt    0.00000   -0.00160   -0.37415
  2 Pt    0.00000   -0.01903   -0.43352
  3 O    -1.68249    0.00019   -0.71856
  4 O     1.68249    0.00019   -0.71856
  5 O     0.00000   -0.01187   -1.38766
  6 O     0.00000   -0.00250    1.77074
  7 Pt   -0.00000    0.01394    0.45170
  8 Pt    0.00000   -0.03940    0.75527
  9 O    -1.58069    0.00050    0.05138
 10 O     1.58069    0.00050    0.05138
 11 O     0.00000   -0.00893   -0.56505
 12 O    -0.00000    0.00800    0.13170
 13 Pt   -0.00000    0.24741   -0.03543
 14 Pt    0.00000   -0.01938    0.00877
 15 O    -0.00077    0.00967    0.00378
 16 O     0.00077    0.00967    0.00378
 17 O     0.00000   -0.00382   -0.91071
 18 O    -0.00000    0.00282    0.02336
 19 Pt    0.00000   -0.02617    0.10724
 20 Pt   -0.00000    0.00257    0.14975
 21 O    -0.19984    0.35359    0.20956
 22 O     0.19984    0.35359    0.20956
 23 O     0.00000   -0.01568   -0.07900
 24 O     0.00000   -0.00101    1.14966
 25 Pt   -0.00000    0.01571   -0.37751
 26 Pt    0.00000   -0.00021   -0.43363
 27 O    -1.69110    0.01345   -0.71778
 28 O     1.69110    0.01345   -0.71778
 29 O    -0.00000    0.04797   -1.38626
 30 O     0.00000   -0.00482    1.83568
 31 Pt   -0.00000    0.01901    0.51089
 32 Pt    0.00000   -0.14830    0.57037
 33 O    -1.61424   -0.01893    0.07041
 34 O     1.61424   -0.01893    0.07041
 35 O     0.00000   -0.03243   -0.52390
 36 O    -0.00000    0.19783   -0.10472
 37 Pt    0.00000   -0.27731   -0.03474
 38 Pt    0.00000   -0.00457   -0.00894
 39 O     0.00970    0.01167    0.01557
 40 O    -0.00970    0.01167    0.01557
 41 O     0.00000   -0.00517    0.00227
 42 O    -0.00000    0.02780   -0.01617
 43 Pt    0.00000   -0.00682    0.03497
 44 Pt    0.00000   -0.07580    0.01155
 45 O    -0.13185   -0.32398    0.04978
 46 O     0.13185   -0.32398    0.04978
 47 O     0.00000   -0.02236   -0.04845
 48 O    -0.00000    0.02213    1.17161
 49 Pt    0.00000   -0.02226   -0.37637
 50 Pt   -0.00000    0.02115   -0.43465
 51 O    -1.69026   -0.01395   -0.71821
 52 O     1.69026   -0.01395   -0.71821
 53 O     0.00000   -0.01305   -1.40437
 54 O     0.00000   -0.00192    1.77772
 55 Pt    0.00000   -0.01211    0.51690
 56 Pt   -0.00000    0.12855    0.64799
 57 O    -1.61347    0.01380    0.09238
 58 O     1.61347    0.01380    0.09238
 59 O     0.00000   -0.02116   -0.51535
 60 O     0.00000   -0.18830   -0.10677
 61 Pt   -0.00000    0.01115   -0.08094
 62 Pt   -0.00000    0.01736   -0.00602
 63 O    -0.01412   -0.00713    0.00299
 64 O     0.01412   -0.00713    0.00299
 65 O     0.00000   -0.00095    0.00579
 66 O     0.00000   -0.00940   -0.00285
 67 Pt   -0.00000    0.00750    0.02414
 68 Pt   -0.00000    0.14842    0.01217
 69 O    -0.00921    0.00150   -0.03040
 70 O     0.00921    0.00150   -0.03040
 71 O    -0.00000    0.00749   -0.04623
 72 N     0.00000   -0.29984    0.15730
 73 N    -0.00000    0.20203    0.31701

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    3.394141   24.076302    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.350547   23.710169    ( 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  16:50:27  -4.61   +inf  -414.101004    3      1      
iter:   2  16:52:23  -4.15  -3.20  -414.266843    3      1      
iter:   3  16:54:18  -4.37  -2.49  -414.091410    2      1      
iter:   4  16:56:13  -5.06  -3.69  -414.093398    3      1      
iter:   5  16:58:07  -5.53  -4.17  -414.092521    3      1      
iter:   6  17:00:02  -5.63  -3.99  -414.092733    3      1      
iter:   7  17:01:56  -5.54  -4.22  -414.092563    3      1      
iter:   8  17:03:51  -5.84  -4.26  -414.092646    2      1      
iter:   9  17:05:46  -6.57  -4.62  -414.092697    2      1      
iter:  10  17:07:42  -6.95  -4.73  -414.092612    2      1      
iter:  11  17:09:37  -7.23  -4.56  -414.092621    2      1      
iter:  12  17:11:31  -7.17  -4.55  -414.092747    2      1      
iter:  13  17:13:26  -7.23  -4.86  -414.092603    2      1      
iter:  14  17:15:21  -7.27  -5.05  -414.092646    2      1      
iter:  15  17:17:16  -7.69  -5.33  -414.092660    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962328, -32.588996, 0.072111) |e|*Ang

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

Kinetic:        +19.038122
Potential:     -137.399989
External:        +0.000000
XC:            -305.455024
Entropy (-ST):   -1.563928
Local:          +10.506195
--------------------------
Free energy:   -414.874624
Extrapolated:  -414.092660

Fermi level: -6.47382

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54686    0.14998
  0   340     -6.52858    0.14080
  0   341     -6.52728    0.14012
  0   342     -6.49688    0.12387

  1   339     -6.44925    0.19505
  1   340     -6.40036    0.14408
  1   341     -6.36601    0.11283
  1   342     -6.35286    0.10212



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17355
  1 Pt    0.00000   -0.00159   -0.37468
  2 Pt    0.00000   -0.01902   -0.43472
  3 O    -1.68298    0.00020   -0.71895
  4 O     1.68298    0.00020   -0.71895
  5 O     0.00000   -0.01186   -1.38773
  6 O     0.00000   -0.00253    1.76928
  7 Pt   -0.00000    0.01394    0.45150
  8 Pt    0.00000   -0.03945    0.75561
  9 O    -1.58095    0.00048    0.05159
 10 O     1.58095    0.00048    0.05159
 11 O     0.00000   -0.00894   -0.56508
 12 O    -0.00000    0.00814    0.13213
 13 Pt   -0.00000    0.24664   -0.03731
 14 Pt    0.00000   -0.01940    0.00741
 15 O    -0.00094    0.00970    0.00347
 16 O     0.00094    0.00970    0.00347
 17 O     0.00000   -0.00394   -0.91401
 18 O    -0.00000    0.00253    0.02410
 19 Pt    0.00000   -0.02607    0.10875
 20 Pt    0.00000   -0.00017    0.14266
 21 O    -0.19911    0.35328    0.21282
 22 O     0.19911    0.35328    0.21282
 23 O     0.00000   -0.01608   -0.08041
 24 O     0.00000   -0.00102    1.14967
 25 Pt   -0.00000    0.01571   -0.37805
 26 Pt    0.00000   -0.00022   -0.43481
 27 O    -1.69160    0.01345   -0.71817
 28 O     1.69160    0.01345   -0.71817
 29 O    -0.00000    0.04797   -1.38638
 30 O     0.00000   -0.00478    1.83425
 31 Pt   -0.00000    0.01900    0.51073
 32 Pt    0.00000   -0.14827    0.57067
 33 O    -1.61447   -0.01893    0.07062
 34 O     1.61447   -0.01893    0.07062
 35 O     0.00000   -0.03241   -0.52394
 36 O    -0.00000    0.19767   -0.10440
 37 Pt    0.00000   -0.27672   -0.03710
 38 Pt    0.00000   -0.00449   -0.01021
 39 O     0.00951    0.01165    0.01508
 40 O    -0.00951    0.01165    0.01508
 41 O     0.00000   -0.00516   -0.00174
 42 O    -0.00000    0.02820   -0.01553
 43 Pt    0.00000   -0.00666    0.03512
 44 Pt    0.00000   -0.07359    0.00938
 45 O    -0.13110   -0.32358    0.05129
 46 O     0.13110   -0.32358    0.05129
 47 O     0.00000   -0.02208   -0.04898
 48 O    -0.00000    0.02214    1.17162
 49 Pt    0.00000   -0.02227   -0.37689
 50 Pt   -0.00000    0.02116   -0.43583
 51 O    -1.69075   -0.01397   -0.71859
 52 O     1.69075   -0.01397   -0.71859
 53 O     0.00000   -0.01306   -1.40442
 54 O     0.00000   -0.00194    1.77638
 55 Pt    0.00000   -0.01211    0.51670
 56 Pt   -0.00000    0.12857    0.64811
 57 O    -1.61375    0.01382    0.09259
 58 O     1.61375    0.01382    0.09259
 59 O     0.00000   -0.02117   -0.51549
 60 O     0.00000   -0.18822   -0.10628
 61 Pt   -0.00000    0.01138   -0.08245
 62 Pt   -0.00000    0.01731   -0.00695
 63 O    -0.01430   -0.00714    0.00274
 64 O     0.01430   -0.00714    0.00274
 65 O     0.00000   -0.00096    0.00322
 66 O     0.00000   -0.00944   -0.00209
 67 Pt   -0.00000    0.00741    0.02597
 68 Pt   -0.00000    0.14834    0.01575
 69 O    -0.00864    0.00138   -0.02759
 70 O     0.00864    0.00138   -0.02759
 71 O    -0.00000    0.00749   -0.04569
 72 N    -0.00000    0.01500    0.25184
 73 N     0.00000   -0.09605    0.20487

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    3.395510   24.077346    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.350404   23.710281    ( 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  17:26:17  -4.78   +inf  -414.103082    3      1      
iter:   2  17:28:12  -3.75  -3.01  -414.559732    3      1      
iter:   3  17:30:07  -4.07  -2.28  -414.097355    3      1      
iter:   4  17:32:03  -4.85  -3.65  -414.093510    3      1      
iter:   5  17:33:59  -5.31  -3.95  -414.093279    2      1      
iter:   6  17:35:55  -5.72  -4.37  -414.093092    3      1      
iter:   7  17:37:50  -5.77  -4.25  -414.092710    3      1      
iter:   8  17:39:45  -5.93  -4.54  -414.092794    2      1      
iter:   9  17:41:40  -6.47  -4.54  -414.092702    2      1      
iter:  10  17:43:34  -7.16  -4.71  -414.092844    2      1      
iter:  11  17:45:29  -7.39  -4.79  -414.092701    2      1      
iter:  12  17:47:23  -7.40  -4.84  -414.092729    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962356, -32.589555, 0.073857) |e|*Ang

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

Kinetic:        +18.686640
Potential:     -137.108967
External:        +0.000000
XC:            -305.392044
Entropy (-ST):   -1.563989
Local:          +10.503636
--------------------------
Free energy:   -414.874724
Extrapolated:  -414.092729

Fermi level: -6.47274

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54610    0.15013
  0   340     -6.52733    0.14071
  0   341     -6.52601    0.14002
  0   342     -6.49591    0.12392

  1   339     -6.44803    0.19490
  1   340     -6.39914    0.14395
  1   341     -6.36495    0.11285
  1   342     -6.35181    0.10215



Forces in eV/Ang:
  0 O     0.00000   -0.01724    1.17373
  1 Pt    0.00000   -0.00160   -0.37461
  2 Pt    0.00000   -0.01899   -0.43379
  3 O    -1.68375    0.00021   -0.71852
  4 O     1.68375    0.00021   -0.71852
  5 O     0.00000   -0.01186   -1.38754
  6 O     0.00000   -0.00253    1.76558
  7 Pt   -0.00000    0.01393    0.44965
  8 Pt    0.00000   -0.03945    0.75409
  9 O    -1.58114    0.00047    0.05077
 10 O     1.58114    0.00047    0.05077
 11 O     0.00000   -0.00893   -0.56615
 12 O    -0.00000    0.00803    0.13089
 13 Pt   -0.00000    0.24742   -0.03828
 14 Pt    0.00000   -0.01940    0.00706
 15 O    -0.00054    0.00968    0.00318
 16 O     0.00054    0.00968    0.00318
 17 O     0.00000   -0.00403   -0.91526
 18 O    -0.00000    0.00271    0.02384
 19 Pt    0.00000   -0.02618    0.10640
 20 Pt   -0.00000    0.00315    0.15112
 21 O    -0.19876    0.35335    0.21027
 22 O     0.19876    0.35335    0.21027
 23 O     0.00000   -0.01544   -0.07792
 24 O     0.00000   -0.00102    1.14984
 25 Pt   -0.00000    0.01571   -0.37799
 26 Pt    0.00000   -0.00024   -0.43389
 27 O    -1.69239    0.01344   -0.71774
 28 O     1.69239    0.01344   -0.71774
 29 O    -0.00000    0.04797   -1.38618
 30 O     0.00000   -0.00476    1.83057
 31 Pt   -0.00000    0.01900    0.50882
 32 Pt    0.00000   -0.14824    0.56924
 33 O    -1.61464   -0.01893    0.06980
 34 O     1.61464   -0.01893    0.06980
 35 O     0.00000   -0.03240   -0.52503
 36 O    -0.00000    0.19772   -0.10554
 37 Pt    0.00000   -0.27732   -0.03765
 38 Pt    0.00000   -0.00452   -0.01052
 39 O     0.00988    0.01167    0.01487
 40 O    -0.00988    0.01167    0.01487
 41 O     0.00000   -0.00528   -0.00423
 42 O    -0.00000    0.02815   -0.01569
 43 Pt    0.00000   -0.00679    0.03493
 44 Pt    0.00000   -0.07544    0.01279
 45 O    -0.13141   -0.32380    0.05152
 46 O     0.13141   -0.32380    0.05152
 47 O     0.00000   -0.02254   -0.04753
 48 O    -0.00000    0.02213    1.17178
 49 Pt    0.00000   -0.02226   -0.37683
 50 Pt   -0.00000    0.02115   -0.43488
 51 O    -1.69152   -0.01397   -0.71816
 52 O     1.69152   -0.01397   -0.71816
 53 O     0.00000   -0.01307   -1.40423
 54 O     0.00000   -0.00197    1.77279
 55 Pt    0.00000   -0.01209    0.51482
 56 Pt   -0.00000    0.12852    0.64681
 57 O    -1.61392    0.01382    0.09176
 58 O     1.61392    0.01382    0.09176
 59 O     0.00000   -0.02118   -0.51657
 60 O     0.00000   -0.18822   -0.10742
 61 Pt   -0.00000    0.01119   -0.08372
 62 Pt   -0.00000    0.01731   -0.00755
 63 O    -0.01396   -0.00713    0.00245
 64 O     0.01396   -0.00713    0.00245
 65 O     0.00000   -0.00082   -0.00054
 66 O     0.00000   -0.00961   -0.00244
 67 Pt   -0.00000    0.00749    0.02315
 68 Pt   -0.00000    0.14801    0.01267
 69 O    -0.00809    0.00145   -0.03012
 70 O     0.00809    0.00145   -0.03012
 71 O    -0.00000    0.00742   -0.04560
 72 N     0.00000   -0.21430    0.17622
 73 N    -0.00000    0.10300    0.28842

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    3.395554   24.077875    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.351507   23.710913    ( 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  18:11:06  -4.78   +inf  -414.132847    3      1      
iter:   2  18:13:02  -3.38  -2.83  -415.174325    3      1      
iter:   3  18:14:57  -3.61  -2.10  -414.093526    3      1      
iter:   4  18:16:52  -4.45  -3.65  -414.095269    3      1      
iter:   5  18:18:46  -5.04  -3.97  -414.093607    3      1      
iter:   6  18:20:41  -5.42  -4.13  -414.093130    2      1      
iter:   7  18:22:36  -5.82  -4.43  -414.092998    2      1      
iter:   8  18:24:31  -6.07  -4.56  -414.093043    3      1      
iter:   9  18:26:25  -6.56  -4.91  -414.093052    2      1      
iter:  10  18:28:20  -6.64  -4.95  -414.093099    2      1      
iter:  11  18:30:15  -7.47  -4.70  -414.093083    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962201, -32.588146, 0.070968) |e|*Ang

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

Kinetic:        +19.005249
Potential:     -137.387620
External:        +0.000000
XC:            -305.436190
Entropy (-ST):   -1.563933
Local:          +10.507445
--------------------------
Free energy:   -414.875049
Extrapolated:  -414.093083

Fermi level: -6.47475

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54796    0.15006
  0   340     -6.52944    0.14076
  0   341     -6.52814    0.14009
  0   342     -6.49789    0.12391

  1   339     -6.45013    0.19501
  1   340     -6.40122    0.14401
  1   341     -6.36696    0.11285
  1   342     -6.35381    0.10214



Forces in eV/Ang:
  0 O     0.00000   -0.01725    1.17410
  1 Pt    0.00000   -0.00159   -0.37396
  2 Pt    0.00000   -0.01902   -0.43431
  3 O    -1.68306    0.00020   -0.71857
  4 O     1.68306    0.00020   -0.71857
  5 O     0.00000   -0.01190   -1.38725
  6 O     0.00000   -0.00262    1.76812
  7 Pt   -0.00000    0.01397    0.45155
  8 Pt    0.00000   -0.03951    0.75524
  9 O    -1.58137    0.00049    0.05220
 10 O     1.58137    0.00049    0.05220
 11 O     0.00000   -0.00896   -0.56349
 12 O    -0.00000    0.00815    0.13330
 13 Pt   -0.00000    0.24687   -0.03678
 14 Pt    0.00000   -0.01922    0.00761
 15 O    -0.00132    0.00977    0.00423
 16 O     0.00132    0.00977    0.00423
 17 O     0.00000   -0.00394   -0.91411
 18 O    -0.00000    0.00288    0.02489
 19 Pt    0.00000   -0.02646    0.10541
 20 Pt   -0.00000    0.00105    0.13909
 21 O    -0.19944    0.35358    0.20942
 22 O     0.19944    0.35358    0.20942
 23 O     0.00000   -0.01713   -0.08311
 24 O     0.00000   -0.00102    1.15022
 25 Pt   -0.00000    0.01571   -0.37737
 26 Pt    0.00000   -0.00023   -0.43442
 27 O    -1.69169    0.01346   -0.71779
 28 O     1.69169    0.01346   -0.71779
 29 O    -0.00000    0.04799   -1.38602
 30 O     0.00000   -0.00471    1.83307
 31 Pt   -0.00000    0.01898    0.51089
 32 Pt    0.00000   -0.14821    0.57033
 33 O    -1.61486   -0.01894    0.07128
 34 O     1.61486   -0.01894    0.07128
 35 O     0.00000   -0.03239   -0.52238
 36 O    -0.00000    0.19799   -0.10344
 37 Pt    0.00000   -0.27687   -0.03640
 38 Pt    0.00000   -0.00467   -0.00993
 39 O     0.00902    0.01164    0.01602
 40 O    -0.00902    0.01164    0.01602
 41 O     0.00000   -0.00548   -0.00243
 42 O    -0.00000    0.02794   -0.01459
 43 Pt    0.00000   -0.00651    0.03030
 44 Pt    0.00000   -0.07334    0.00306
 45 O    -0.13066   -0.32412    0.04677
 46 O     0.13066   -0.32412    0.04677
 47 O     0.00000   -0.02059   -0.05166
 48 O    -0.00000    0.02213    1.17218
 49 Pt    0.00000   -0.02227   -0.37617
 50 Pt   -0.00000    0.02116   -0.43540
 51 O    -1.69083   -0.01398   -0.71821
 52 O     1.69083   -0.01398   -0.71821
 53 O     0.00000   -0.01305   -1.40400
 54 O     0.00000   -0.00193    1.77518
 55 Pt    0.00000   -0.01213    0.51677
 56 Pt   -0.00000    0.12857    0.64770
 57 O    -1.61415    0.01382    0.09321
 58 O     1.61415    0.01382    0.09321
 59 O     0.00000   -0.02116   -0.51404
 60 O     0.00000   -0.18860   -0.10549
 61 Pt   -0.00000    0.01140   -0.08214
 62 Pt   -0.00000    0.01731   -0.00670
 63 O    -0.01472   -0.00720    0.00351
 64 O     0.01472   -0.00720    0.00351
 65 O     0.00000   -0.00082    0.00262
 66 O     0.00000   -0.00955   -0.00100
 67 Pt   -0.00000    0.00766    0.02296
 68 Pt   -0.00000    0.14806    0.01081
 69 O    -0.00853    0.00165   -0.03117
 70 O     0.00853    0.00165   -0.03117
 71 O    -0.00000    0.00701   -0.04798
 72 N     0.00000   -0.10871    0.19771
 73 N    -0.00000    0.00954    0.24199

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    3.396507   24.078708    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.351756   23.711322    ( 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  18:46:50  -5.25   +inf  -414.091816    3      1      
iter:   2  18:48:55  -5.37  -3.77  -414.099498    3      1      
iter:   3  18:50:59  -5.34  -3.32  -414.095780    3      1      
iter:   4  18:53:03  -5.96  -3.65  -414.093289    3      1      
iter:   5  18:55:07  -6.59  -4.65  -414.093395    2      1      
iter:   6  18:57:11  -6.50  -4.46  -414.093320    2      1      
iter:   7  18:59:16  -6.51  -4.69  -414.093258    2      1      
iter:   8  19:01:21  -6.88  -4.59  -414.093228    2      1      
iter:   9  19:03:25  -7.37  -4.99  -414.093168    2      1      
iter:  10  19:05:29  -8.20  -5.07  -414.093253    2      1      

Converged after 10 iterations.

Dipole moment: (-55.962374, -32.589318, 0.072759) |e|*Ang

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

Kinetic:        +18.720582
Potential:     -137.138894
External:        +0.000000
XC:            -305.397480
Entropy (-ST):   -1.563868
Local:          +10.504472
--------------------------
Free energy:   -414.875187
Extrapolated:  -414.093253

Fermi level: -6.47340

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54635    0.14993
  0   340     -6.52821    0.14082
  0   341     -6.52691    0.14015
  0   342     -6.49642    0.12384

  1   339     -6.44878    0.19501
  1   340     -6.39998    0.14412
  1   341     -6.36559    0.11284
  1   342     -6.35237    0.10207



Forces in eV/Ang:
  0 O     0.00000   -0.01725    1.17349
  1 Pt    0.00000   -0.00160   -0.37474
  2 Pt    0.00000   -0.01900   -0.43479
  3 O    -1.68283    0.00021   -0.71881
  4 O     1.68283    0.00021   -0.71881
  5 O     0.00000   -0.01188   -1.38774
  6 O     0.00000   -0.00257    1.76937
  7 Pt   -0.00000    0.01394    0.45130
  8 Pt    0.00000   -0.03949    0.75524
  9 O    -1.58085    0.00047    0.05132
 10 O     1.58085    0.00047    0.05132
 11 O     0.00000   -0.00897   -0.56524
 12 O    -0.00000    0.00813    0.13151
 13 Pt   -0.00000    0.24723   -0.03713
 14 Pt    0.00000   -0.01933    0.00775
 15 O    -0.00085    0.00970    0.00328
 16 O     0.00085    0.00970    0.00328
 17 O     0.00000   -0.00412   -0.91279
 18 O    -0.00000    0.00262    0.02347
 19 Pt    0.00000   -0.02608    0.10927
 20 Pt   -0.00000    0.00309    0.15197
 21 O    -0.19939    0.35368    0.21217
 22 O     0.19939    0.35368    0.21217
 23 O     0.00000   -0.01525   -0.07776
 24 O     0.00000   -0.00103    1.14960
 25 Pt   -0.00000    0.01572   -0.37816
 26 Pt    0.00000   -0.00024   -0.43488
 27 O    -1.69146    0.01344   -0.71803
 28 O     1.69146    0.01344   -0.71803
 29 O    -0.00000    0.04798   -1.38635
 30 O     0.00000   -0.00471    1.83437
 31 Pt   -0.00000    0.01900    0.51055
 32 Pt    0.00000   -0.14817    0.57041
 33 O    -1.61435   -0.01894    0.07037
 34 O     1.61435   -0.01894    0.07037
 35 O     0.00000   -0.03237   -0.52410
 36 O    -0.00000    0.19762   -0.10495
 37 Pt    0.00000   -0.27725   -0.03682
 38 Pt    0.00000   -0.00460   -0.00994
 39 O     0.00952    0.01165    0.01492
 40 O    -0.00952    0.01165    0.01492
 41 O     0.00000   -0.00509    0.00015
 42 O    -0.00000    0.02815   -0.01621
 43 Pt    0.00000   -0.00696    0.03818
 44 Pt    0.00000   -0.07575    0.01571
 45 O    -0.13281   -0.32433    0.05377
 46 O     0.13281   -0.32433    0.05377
 47 O     0.00000   -0.02291   -0.04690
 48 O    -0.00000    0.02214    1.17155
 49 Pt    0.00000   -0.02227   -0.37695
 50 Pt   -0.00000    0.02116   -0.43586
 51 O    -1.69059   -0.01397   -0.71845
 52 O     1.69059   -0.01397   -0.71845
 53 O     0.00000   -0.01306   -1.40431
 54 O     0.00000   -0.00196    1.77656
 55 Pt    0.00000   -0.01211    0.51649
 56 Pt   -0.00000    0.12849    0.64786
 57 O    -1.61364    0.01384    0.09233
 58 O     1.61364    0.01384    0.09233
 59 O     0.00000   -0.02118   -0.51569
 60 O     0.00000   -0.18820   -0.10667
 61 Pt   -0.00000    0.01134   -0.08249
 62 Pt   -0.00000    0.01734   -0.00668
 63 O    -0.01419   -0.00714    0.00254
 64 O     0.01419   -0.00714    0.00254
 65 O     0.00000   -0.00095    0.00450
 66 O     0.00000   -0.00951   -0.00283
 67 Pt   -0.00000    0.00755    0.02608
 68 Pt   -0.00000    0.14841    0.01613
 69 O    -0.00880    0.00146   -0.02822
 70 O     0.00880    0.00146   -0.02822
 71 O    -0.00000    0.00759   -0.04495
 72 N     0.00000   -0.18465    0.17760
 73 N    -0.00000    0.06381    0.27124

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    3.396568   24.079213    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.352814   23.712063    ( 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  19:22:29  -5.14   +inf  -414.095646    3      1      
iter:   2  19:24:35  -4.44  -3.35  -414.191564    2      1      
iter:   3  19:26:39  -4.64  -2.62  -414.093844    2      1      
iter:   4  19:28:44  -5.45  -4.41  -414.093436    2      1      
iter:   5  19:30:47  -5.90  -4.37  -414.093770    2      1      
iter:   6  19:32:50  -6.31  -4.34  -414.093387    3      1      
iter:   7  19:34:52  -6.30  -4.63  -414.093428    2      1      
iter:   8  19:36:55  -6.56  -4.53  -414.093485    2      1      
iter:   9  19:38:57  -7.21  -4.92  -414.093500    2      1      
iter:  10  19:40:59  -7.63  -5.04  -414.093534    2      1      

Converged after 10 iterations.

Dipole moment: (-55.962280, -32.587987, 0.070527) |e|*Ang

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

Kinetic:        +19.040677
Potential:     -137.418527
External:        +0.000000
XC:            -305.441501
Entropy (-ST):   -1.563892
Local:          +10.507763
--------------------------
Free energy:   -414.875480
Extrapolated:  -414.093534

Fermi level: -6.47506

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54808    0.14996
  0   340     -6.52984    0.14080
  0   341     -6.52854    0.14013
  0   342     -6.49814    0.12387

  1   339     -6.45044    0.19500
  1   340     -6.40161    0.14409
  1   341     -6.36725    0.11283
  1   342     -6.35407    0.10210



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17407
  1 Pt    0.00000   -0.00160   -0.37450
  2 Pt    0.00000   -0.01902   -0.43439
  3 O    -1.68300    0.00019   -0.71876
  4 O     1.68300    0.00019   -0.71876
  5 O     0.00000   -0.01187   -1.38811
  6 O     0.00000   -0.00256    1.76820
  7 Pt   -0.00000    0.01400    0.45093
  8 Pt    0.00000   -0.03949    0.75517
  9 O    -1.58106    0.00051    0.05097
 10 O     1.58106    0.00051    0.05097
 11 O     0.00000   -0.00895   -0.56555
 12 O    -0.00000    0.00812    0.13159
 13 Pt   -0.00000    0.24689   -0.03768
 14 Pt    0.00000   -0.01923    0.00724
 15 O    -0.00113    0.00979    0.00319
 16 O     0.00113    0.00979    0.00319
 17 O     0.00000   -0.00404   -0.91570
 18 O    -0.00000    0.00283    0.02350
 19 Pt    0.00000   -0.02629    0.10630
 20 Pt   -0.00000    0.00144    0.14027
 21 O    -0.19977    0.35360    0.21015
 22 O     0.19977    0.35360    0.21015
 23 O     0.00000   -0.01701   -0.08278
 24 O     0.00000   -0.00101    1.15021
 25 Pt   -0.00000    0.01571   -0.37791
 26 Pt    0.00000   -0.00021   -0.43449
 27 O    -1.69162    0.01345   -0.71799
 28 O     1.69162    0.01345   -0.71799
 29 O    -0.00000    0.04797   -1.38689
 30 O     0.00000   -0.00472    1.83310
 31 Pt   -0.00000    0.01897    0.51023
 32 Pt    0.00000   -0.14822    0.57032
 33 O    -1.61456   -0.01894    0.07001
 34 O     1.61456   -0.01894    0.07001
 35 O     0.00000   -0.03241   -0.52440
 36 O    -0.00000    0.19808   -0.10523
 37 Pt    0.00000   -0.27690   -0.03753
 38 Pt    0.00000   -0.00472   -0.01035
 39 O     0.00922    0.01161    0.01487
 40 O    -0.00922    0.01161    0.01487
 41 O     0.00000   -0.00534   -0.00169
 42 O    -0.00000    0.02793   -0.01611
 43 Pt    0.00000   -0.00678    0.03179
 44 Pt    0.00000   -0.07352    0.00433
 45 O    -0.13147   -0.32432    0.04833
 46 O     0.13147   -0.32432    0.04833
 47 O     0.00000   -0.02094   -0.05122
 48 O    -0.00000    0.02213    1.17216
 49 Pt    0.00000   -0.02226   -0.37673
 50 Pt   -0.00000    0.02114   -0.43551
 51 O    -1.69077   -0.01396   -0.71841
 52 O     1.69077   -0.01396   -0.71841
 53 O     0.00000   -0.01306   -1.40488
 54 O     0.00000   -0.00196    1.77515
 55 Pt    0.00000   -0.01214    0.51608
 56 Pt   -0.00000    0.12854    0.64764
 57 O    -1.61383    0.01381    0.09193
 58 O     1.61383    0.01381    0.09193
 59 O     0.00000   -0.02116   -0.51605
 60 O     0.00000   -0.18863   -0.10717
 61 Pt   -0.00000    0.01143   -0.08288
 62 Pt   -0.00000    0.01735   -0.00705
 63 O    -0.01445   -0.00719    0.00243
 64 O     0.01445   -0.00719    0.00243
 65 O     0.00000   -0.00087    0.00352
 66 O     0.00000   -0.00949   -0.00251
 67 Pt   -0.00000    0.00772    0.02367
 68 Pt   -0.00000    0.14811    0.01145
 69 O    -0.00912    0.00168   -0.03063
 70 O     0.00912    0.00168   -0.03063
 71 O    -0.00000    0.00724   -0.04769
 72 N     0.00000   -0.08518    0.20159
 73 N     0.00000   -0.03100    0.22320

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    3.397509   24.080040    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.352964   23.712514    ( 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  19:58:02  -5.06   +inf  -414.097964    3      1      
iter:   2  19:59:57  -4.00  -3.14  -414.357960    3      1      
iter:   3  20:01:51  -4.17  -2.40  -414.097561    3      1      
iter:   4  20:03:46  -4.95  -3.68  -414.094115    3      1      
iter:   5  20:05:41  -5.47  -4.24  -414.093862    2      1      
iter:   6  20:07:36  -5.93  -4.62  -414.093783    3      1      
iter:   7  20:09:31  -6.14  -4.52  -414.093631    2      1      
iter:   8  20:11:25  -6.47  -4.77  -414.093668    2      1      
iter:   9  20:13:20  -6.85  -4.80  -414.093631    2      1      
iter:  10  20:15:16  -7.41  -5.04  -414.093640    2      1      

Converged after 10 iterations.

Dipole moment: (-55.962381, -32.589028, 0.072503) |e|*Ang

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

Kinetic:        +18.741185
Potential:     -137.157491
External:        +0.000000
XC:            -305.400064
Entropy (-ST):   -1.563981
Local:          +10.504720
--------------------------
Free energy:   -414.875630
Extrapolated:  -414.093640

Fermi level: -6.47362

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54668    0.14998
  0   340     -6.52837    0.14079
  0   341     -6.52707    0.14012
  0   342     -6.49672    0.12389

  1   339     -6.44900    0.19501
  1   340     -6.40013    0.14406
  1   341     -6.36583    0.11284
  1   342     -6.35263    0.10210



Forces in eV/Ang:
  0 O     0.00000   -0.01724    1.17359
  1 Pt    0.00000   -0.00161   -0.37456
  2 Pt    0.00000   -0.01899   -0.43443
  3 O    -1.68291    0.00021   -0.71872
  4 O     1.68291    0.00021   -0.71872
  5 O     0.00000   -0.01187   -1.38777
  6 O     0.00000   -0.00257    1.76886
  7 Pt   -0.00000    0.01394    0.45082
  8 Pt    0.00000   -0.03949    0.75482
  9 O    -1.58099    0.00047    0.05075
 10 O     1.58099    0.00047    0.05075
 11 O     0.00000   -0.00895   -0.56630
 12 O    -0.00000    0.00811    0.13076
 13 Pt   -0.00000    0.24748   -0.03816
 14 Pt    0.00000   -0.01933    0.00713
 15 O    -0.00088    0.00972    0.00278
 16 O     0.00088    0.00972    0.00278
 17 O     0.00000   -0.00412   -0.91521
 18 O    -0.00000    0.00259    0.02305
 19 Pt    0.00000   -0.02609    0.10869
 20 Pt   -0.00000    0.00340    0.15283
 21 O    -0.19903    0.35375    0.21208
 22 O     0.19903    0.35375    0.21208
 23 O     0.00000   -0.01518   -0.07731
 24 O     0.00000   -0.00103    1.14971
 25 Pt   -0.00000    0.01573   -0.37797
 26 Pt    0.00000   -0.00025   -0.43453
 27 O    -1.69154    0.01344   -0.71795
 28 O     1.69154    0.01344   -0.71795
 29 O    -0.00000    0.04797   -1.38642
 30 O     0.00000   -0.00471    1.83384
 31 Pt   -0.00000    0.01899    0.51006
 32 Pt    0.00000   -0.14814    0.57003
 33 O    -1.61448   -0.01894    0.06978
 34 O     1.61448   -0.01894    0.06978
 35 O     0.00000   -0.03239   -0.52517
 36 O    -0.00000    0.19771   -0.10581
 37 Pt    0.00000   -0.27746   -0.03787
 38 Pt    0.00000   -0.00460   -0.01049
 39 O     0.00952    0.01165    0.01442
 40 O    -0.00952    0.01165    0.01442
 41 O     0.00000   -0.00514   -0.00222
 42 O    -0.00000    0.02820   -0.01664
 43 Pt    0.00000   -0.00695    0.03794
 44 Pt    0.00000   -0.07578    0.01580
 45 O    -0.13276   -0.32451    0.05448
 46 O     0.13276   -0.32451    0.05448
 47 O     0.00000   -0.02302   -0.04651
 48 O    -0.00000    0.02213    1.17165
 49 Pt    0.00000   -0.02227   -0.37676
 50 Pt   -0.00000    0.02115   -0.43550
 51 O    -1.69067   -0.01397   -0.71836
 52 O     1.69067   -0.01397   -0.71836
 53 O     0.00000   -0.01306   -1.40436
 54 O     0.00000   -0.00196    1.77607
 55 Pt    0.00000   -0.01209    0.51600
 56 Pt   -0.00000    0.12846    0.64745
 57 O    -1.61377    0.01385    0.09175
 58 O     1.61377    0.01385    0.09175
 59 O     0.00000   -0.02117   -0.51678
 60 O     0.00000   -0.18827   -0.10752
 61 Pt   -0.00000    0.01134   -0.08358
 62 Pt   -0.00000    0.01735   -0.00725
 63 O    -0.01423   -0.00716    0.00206
 64 O     0.01423   -0.00716    0.00206
 65 O     0.00000   -0.00092    0.00205
 66 O     0.00000   -0.00952   -0.00320
 67 Pt   -0.00000    0.00755    0.02528
 68 Pt   -0.00000    0.14836    0.01585
 69 O    -0.00832    0.00143   -0.02853
 70 O     0.00832    0.00143   -0.02853
 71 O    -0.00000    0.00760   -0.04471
 72 N     0.00000   -0.17163    0.17980
 73 N    -0.00000    0.03692    0.25369

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    3.397778   24.080672    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.353775   23.713263    ( 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  20:39:20  -5.37   +inf  -414.094785    3      1      
iter:   2  20:41:23  -5.90  -4.14  -414.094033    3      1      
iter:   3  20:43:25  -5.99  -3.66  -414.093371    2      1      
iter:   4  20:45:27  -6.60  -4.09  -414.093981    2      1      
iter:   5  20:47:31  -6.97  -4.86  -414.093832    2      1      
iter:   6  20:49:35  -6.88  -4.65  -414.093860    2      1      
iter:   7  20:51:37  -6.79  -4.87  -414.093891    2      1      
iter:   8  20:53:40  -7.19  -4.98  -414.093900    2      1      
iter:   9  20:55:43  -7.90  -5.29  -414.093946    2      1      

Converged after 9 iterations.

Dipole moment: (-55.962308, -32.587928, 0.070873) |e|*Ang

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

Kinetic:        +18.961775
Potential:     -137.354040
External:        +0.000000
XC:            -305.427212
Entropy (-ST):   -1.563911
Local:          +10.507486
--------------------------
Free energy:   -414.875902
Extrapolated:  -414.093946

Fermi level: -6.47500

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54811    0.15001
  0   340     -6.52967    0.14075
  0   341     -6.52836    0.14008
  0   342     -6.49812    0.12390

  1   339     -6.45032    0.19494
  1   340     -6.40147    0.14402
  1   341     -6.36717    0.11281
  1   342     -6.35402    0.10211



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17401
  1 Pt    0.00000   -0.00161   -0.37450
  2 Pt    0.00000   -0.01901   -0.43416
  3 O    -1.68360    0.00020   -0.71862
  4 O     1.68360    0.00020   -0.71862
  5 O     0.00000   -0.01187   -1.38768
  6 O     0.00000   -0.00256    1.76672
  7 Pt   -0.00000    0.01396    0.45063
  8 Pt    0.00000   -0.03949    0.75495
  9 O    -1.58098    0.00049    0.05127
 10 O     1.58098    0.00049    0.05127
 11 O     0.00000   -0.00894   -0.56509
 12 O    -0.00000    0.00812    0.13236
 13 Pt   -0.00000    0.24726   -0.03721
 14 Pt    0.00000   -0.01928    0.00758
 15 O    -0.00080    0.00974    0.00373
 16 O     0.00080    0.00974    0.00373
 17 O     0.00000   -0.00397   -0.91710
 18 O    -0.00000    0.00282    0.02441
 19 Pt    0.00000   -0.02623    0.10621
 20 Pt   -0.00000    0.00173    0.14114
 21 O    -0.19963    0.35371    0.21059
 22 O     0.19963    0.35371    0.21059
 23 O     0.00000   -0.01681   -0.08236
 24 O     0.00000   -0.00102    1.15014
 25 Pt   -0.00000    0.01573   -0.37790
 26 Pt    0.00000   -0.00022   -0.43427
 27 O    -1.69222    0.01345   -0.71784
 28 O     1.69222    0.01345   -0.71784
 29 O    -0.00000    0.04796   -1.38646
 30 O     0.00000   -0.00474    1.83167
 31 Pt   -0.00000    0.01899    0.50990
 32 Pt    0.00000   -0.14816    0.57014
 33 O    -1.61448   -0.01893    0.07032
 34 O     1.61448   -0.01893    0.07032
 35 O     0.00000   -0.03241   -0.52395
 36 O    -0.00000    0.19827   -0.10465
 37 Pt    0.00000   -0.27723   -0.03699
 38 Pt    0.00000   -0.00464   -0.01008
 39 O     0.00959    0.01166    0.01544
 40 O    -0.00959    0.01166    0.01544
 41 O     0.00000   -0.00537   -0.00264
 42 O    -0.00000    0.02798   -0.01526
 43 Pt    0.00000   -0.00681    0.03235
 44 Pt    0.00000   -0.07371    0.00521
 45 O    -0.13168   -0.32450    0.05003
 46 O     0.13168   -0.32450    0.05003
 47 O     0.00000   -0.02116   -0.05085
 48 O    -0.00000    0.02214    1.17208
 49 Pt    0.00000   -0.02227   -0.37672
 50 Pt   -0.00000    0.02115   -0.43528
 51 O    -1.69137   -0.01396   -0.71826
 52 O     1.69137   -0.01396   -0.71826
 53 O     0.00000   -0.01304   -1.40445
 54 O     0.00000   -0.00195    1.77379
 55 Pt    0.00000   -0.01212    0.51581
 56 Pt   -0.00000    0.12849    0.64752
 57 O    -1.61376    0.01382    0.09224
 58 O     1.61376    0.01382    0.09224
 59 O     0.00000   -0.02116   -0.51554
 60 O     0.00000   -0.18882   -0.10660
 61 Pt   -0.00000    0.01139   -0.08254
 62 Pt   -0.00000    0.01733   -0.00687
 63 O    -0.01418   -0.00718    0.00294
 64 O     0.01418   -0.00718    0.00294
 65 O     0.00000   -0.00087    0.00219
 66 O     0.00000   -0.00952   -0.00175
 67 Pt   -0.00000    0.00767    0.02349
 68 Pt   -0.00000    0.14816    0.01121
 69 O    -0.00885    0.00160   -0.03024
 70 O     0.00885    0.00160   -0.03024
 71 O    -0.00000    0.00727   -0.04757
 72 N     0.00000   -0.12928    0.18797
 73 N     0.00000   -0.00399    0.22429

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    3.398342   24.081469    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.354280   23.713905    ( 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  21:16:34  -5.40   +inf  -414.094907    3      1      
iter:   2  21:18:36  -4.58  -3.43  -414.159594    3      1      
iter:   3  21:20:38  -4.81  -2.70  -414.096534    2      1      
iter:   4  21:22:41  -5.49  -3.87  -414.094235    3      1      
iter:   5  21:24:42  -6.11  -4.87  -414.094154    2      1      
iter:   6  21:26:44  -6.58  -4.97  -414.094100    2      1      
iter:   7  21:28:46  -7.06  -5.19  -414.094142    2      1      
iter:   8  21:30:47  -7.42  -5.16  -414.094140    2      1      

Converged after 8 iterations.

Dipole moment: (-55.962331, -32.588463, 0.071754) |e|*Ang

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

Kinetic:        +18.866541
Potential:     -137.267949
External:        +0.000000
XC:            -305.416977
Entropy (-ST):   -1.563961
Local:          +10.506226
--------------------------
Free energy:   -414.876121
Extrapolated:  -414.094140

Fermi level: -6.47419

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54719    0.14995
  0   340     -6.52893    0.14078
  0   341     -6.52763    0.14011
  0   342     -6.49727    0.12388

  1   339     -6.44960    0.19503
  1   340     -6.40072    0.14407
  1   341     -6.36637    0.11282
  1   342     -6.35321    0.10210



Forces in eV/Ang:
  0 O     0.00000   -0.01728    1.17365
  1 Pt    0.00000   -0.00162   -0.37422
  2 Pt    0.00000   -0.01902   -0.43439
  3 O    -1.68299    0.00020   -0.71828
  4 O     1.68299    0.00020   -0.71828
  5 O     0.00000   -0.01188   -1.38685
  6 O     0.00000   -0.00257    1.76952
  7 Pt   -0.00000    0.01397    0.45229
  8 Pt    0.00000   -0.03949    0.75613
  9 O    -1.58096    0.00050    0.05256
 10 O     1.58096    0.00050    0.05256
 11 O     0.00000   -0.00894   -0.56426
 12 O    -0.00000    0.00816    0.13277
 13 Pt   -0.00000    0.24747   -0.03715
 14 Pt    0.00000   -0.01930    0.00740
 15 O    -0.00100    0.00975    0.00371
 16 O     0.00100    0.00975    0.00371
 17 O     0.00000   -0.00399   -0.91603
 18 O    -0.00000    0.00268    0.02373
 19 Pt    0.00000   -0.02611    0.10832
 20 Pt   -0.00000    0.00213    0.14606
 21 O    -0.19963    0.35407    0.21159
 22 O     0.19963    0.35407    0.21159
 23 O     0.00000   -0.01578   -0.07969
 24 O     0.00000   -0.00102    1.14976
 25 Pt   -0.00000    0.01574   -0.37761
 26 Pt    0.00000   -0.00022   -0.43450
 27 O    -1.69160    0.01346   -0.71750
 28 O     1.69160    0.01346   -0.71750
 29 O    -0.00000    0.04795   -1.38556
 30 O     0.00000   -0.00473    1.83450
 31 Pt   -0.00000    0.01899    0.51161
 32 Pt    0.00000   -0.14812    0.57141
 33 O    -1.61447   -0.01896    0.07160
 34 O     1.61447   -0.01896    0.07160
 35 O     0.00000   -0.03240   -0.52310
 36 O    -0.00000    0.19810   -0.10415
 37 Pt    0.00000   -0.27749   -0.03698
 38 Pt    0.00000   -0.00463   -0.01028
 39 O     0.00938    0.01162    0.01538
 40 O    -0.00938    0.01162    0.01538
 41 O     0.00000   -0.00525   -0.00124
 42 O    -0.00000    0.02812   -0.01602
 43 Pt    0.00000   -0.00695    0.03622
 44 Pt    0.00000   -0.07444    0.01084
 45 O    -0.13301   -0.32498    0.05348
 46 O     0.13301   -0.32498    0.05348
 47 O     0.00000   -0.02235   -0.04845
 48 O    -0.00000    0.02216    1.17172
 49 Pt    0.00000   -0.02228   -0.37643
 50 Pt   -0.00000    0.02116   -0.43551
 51 O    -1.69075   -0.01398   -0.71791
 52 O     1.69075   -0.01398   -0.71791
 53 O     0.00000   -0.01302   -1.40355
 54 O     0.00000   -0.00195    1.77660
 55 Pt    0.00000   -0.01213    0.51750
 56 Pt   -0.00000    0.12844    0.64878
 57 O    -1.61374    0.01383    0.09353
 58 O     1.61374    0.01383    0.09353
 59 O     0.00000   -0.02117   -0.51472
 60 O     0.00000   -0.18869   -0.10589
 61 Pt   -0.00000    0.01141   -0.08252
 62 Pt   -0.00000    0.01733   -0.00699
 63 O    -0.01434   -0.00716    0.00297
 64 O     0.01434   -0.00716    0.00297
 65 O     0.00000   -0.00090    0.00337
 66 O     0.00000   -0.00951   -0.00254
 67 Pt   -0.00000    0.00762    0.02515
 68 Pt   -0.00000    0.14831    0.01446
 69 O    -0.00890    0.00143   -0.02923
 70 O     0.00890    0.00143   -0.02923
 71 O    -0.00000    0.00749   -0.04597
 72 N     0.00000   -0.13341    0.19894
 73 N     0.00000   -0.02420    0.22200

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    3.398816   24.082295    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.354756   23.714537    ( 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  21:52:00  -5.48   +inf  -414.094583    2      1      
iter:   2  21:54:04  -4.75  -3.52  -414.142908    3      1      
iter:   3  21:56:08  -4.73  -2.78  -414.095009    2      1      
iter:   4  21:58:12  -5.63  -4.36  -414.094383    2      1      
iter:   5  22:00:17  -6.15  -4.99  -414.094338    2      1      
iter:   6  22:02:22  -6.60  -5.15  -414.094340    2      1      
iter:   7  22:04:28  -7.16  -5.39  -414.094349    2      1      
iter:   8  22:06:32  -7.57  -5.56  -414.094349    2      1      

Converged after 8 iterations.

Dipole moment: (-55.962343, -32.588165, 0.071291) |e|*Ang

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

Kinetic:        +18.876619
Potential:     -137.280326
External:        +0.000000
XC:            -305.415180
Entropy (-ST):   -1.563993
Local:          +10.506534
--------------------------
Free energy:   -414.876345
Extrapolated:  -414.094349

Fermi level: -6.47451

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54753    0.14997
  0   340     -6.52923    0.14077
  0   341     -6.52793    0.14010
  0   342     -6.49761    0.12389

  1   339     -6.44992    0.19504
  1   340     -6.40101    0.14404
  1   341     -6.36669    0.11282
  1   342     -6.35354    0.10211



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17389
  1 Pt    0.00000   -0.00162   -0.37433
  2 Pt    0.00000   -0.01901   -0.43413
  3 O    -1.68315    0.00020   -0.71878
  4 O     1.68315    0.00020   -0.71878
  5 O     0.00000   -0.01187   -1.38812
  6 O     0.00000   -0.00257    1.76790
  7 Pt   -0.00000    0.01397    0.45044
  8 Pt    0.00000   -0.03950    0.75479
  9 O    -1.58103    0.00049    0.05040
 10 O     1.58103    0.00049    0.05040
 11 O     0.00000   -0.00895   -0.56620
 12 O    -0.00000    0.00815    0.13116
 13 Pt   -0.00000    0.24758   -0.03838
 14 Pt    0.00000   -0.01925    0.00682
 15 O    -0.00094    0.00976    0.00268
 16 O     0.00094    0.00976    0.00268
 17 O     0.00000   -0.00400   -0.91751
 18 O    -0.00000    0.00273    0.02336
 19 Pt    0.00000   -0.02617    0.10723
 20 Pt   -0.00000    0.00252    0.14597
 21 O    -0.19965    0.35404    0.21114
 22 O     0.19965    0.35404    0.21114
 23 O     0.00000   -0.01608   -0.07996
 24 O     0.00000   -0.00102    1.15001
 25 Pt   -0.00000    0.01573   -0.37774
 26 Pt    0.00000   -0.00022   -0.43424
 27 O    -1.69178    0.01344   -0.71802
 28 O     1.69178    0.01344   -0.71802
 29 O    -0.00000    0.04795   -1.38688
 30 O     0.00000   -0.00471    1.83288
 31 Pt   -0.00000    0.01899    0.50971
 32 Pt    0.00000   -0.14810    0.57009
 33 O    -1.61451   -0.01894    0.06948
 34 O     1.61451   -0.01894    0.06948
 35 O     0.00000   -0.03240   -0.52503
 36 O    -0.00000    0.19817   -0.10581
 37 Pt    0.00000   -0.27758   -0.03822
 38 Pt    0.00000   -0.00468   -0.01085
 39 O     0.00942    0.01164    0.01436
 40 O    -0.00942    0.01164    0.01436
 41 O     0.00000   -0.00530   -0.00251
 42 O    -0.00000    0.02807   -0.01637
 43 Pt    0.00000   -0.00695    0.03496
 44 Pt    0.00000   -0.07451    0.00964
 45 O    -0.13292   -0.32505    0.05294
 46 O     0.13292   -0.32505    0.05294
 47 O     0.00000   -0.02202   -0.04873
 48 O    -0.00000    0.02214    1.17196
 49 Pt    0.00000   -0.02226   -0.37654
 50 Pt   -0.00000    0.02115   -0.43523
 51 O    -1.69092   -0.01395   -0.71843
 52 O     1.69092   -0.01395   -0.71843
 53 O     0.00000   -0.01304   -1.40482
 54 O     0.00000   -0.00197    1.77500
 55 Pt    0.00000   -0.01213    0.51560
 56 Pt   -0.00000    0.12843    0.64742
 57 O    -1.61380    0.01383    0.09139
 58 O     1.61380    0.01383    0.09139
 59 O     0.00000   -0.02117   -0.51667
 60 O     0.00000   -0.18876   -0.10757
 61 Pt   -0.00000    0.01140   -0.08381
 62 Pt   -0.00000    0.01733   -0.00760
 63 O    -0.01430   -0.00719    0.00190
 64 O     0.01430   -0.00719    0.00190
 65 O     0.00000   -0.00088    0.00221
 66 O     0.00000   -0.00952   -0.00284
 67 Pt   -0.00000    0.00768    0.02409
 68 Pt   -0.00000    0.14828    0.01315
 69 O    -0.00884    0.00152   -0.02974
 70 O     0.00884    0.00152   -0.02974
 71 O    -0.00000    0.00744   -0.04621
 72 N     0.00000   -0.14986    0.19432
 73 N     0.00000   -0.01237    0.21752

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    3.399203   24.083126    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.355280   23.715176    ( 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  22:27:25  -5.55   +inf  -414.094818    2      1      
iter:   2  22:29:28  -5.70  -4.04  -414.098797    2      1      
iter:   3  22:31:36  -5.63  -3.31  -414.094284    2      1      
iter:   4  22:33:38  -6.40  -4.64  -414.094632    2      1      
iter:   5  22:35:40  -6.87  -5.12  -414.094542    2      1      
iter:   6  22:37:43  -7.15  -5.28  -414.094575    2      1      
iter:   7  22:39:46  -7.93  -5.58  -414.094583    2      1      

Converged after 7 iterations.

Dipole moment: (-55.962345, -32.587924, 0.070940) |e|*Ang

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

Kinetic:        +18.892123
Potential:     -137.294777
External:        +0.000000
XC:            -305.416916
Entropy (-ST):   -1.563989
Local:          +10.506981
--------------------------
Free energy:   -414.876578
Extrapolated:  -414.094583

Fermi level: -6.47485

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54786    0.14996
  0   340     -6.52957    0.14078
  0   341     -6.52828    0.14011
  0   342     -6.49796    0.12390

  1   339     -6.45023    0.19500
  1   340     -6.40135    0.14404
  1   341     -6.36703    0.11282
  1   342     -6.35387    0.10210



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17378
  1 Pt    0.00000   -0.00162   -0.37450
  2 Pt    0.00000   -0.01901   -0.43426
  3 O    -1.68313    0.00021   -0.71880
  4 O     1.68313    0.00021   -0.71880
  5 O     0.00000   -0.01186   -1.38800
  6 O     0.00000   -0.00257    1.76804
  7 Pt   -0.00000    0.01396    0.45073
  8 Pt    0.00000   -0.03951    0.75493
  9 O    -1.58102    0.00048    0.05097
 10 O     1.58102    0.00048    0.05097
 11 O     0.00000   -0.00895   -0.56564
 12 O    -0.00000    0.00812    0.13172
 13 Pt   -0.00000    0.24763   -0.03760
 14 Pt    0.00000   -0.01928    0.00742
 15 O    -0.00091    0.00975    0.00338
 16 O     0.00091    0.00975    0.00338
 17 O     0.00000   -0.00400   -0.91749
 18 O    -0.00000    0.00272    0.02402
 19 Pt    0.00000   -0.02611    0.10752
 20 Pt   -0.00000    0.00238    0.14539
 21 O    -0.19958    0.35413    0.21158
 22 O     0.19958    0.35413    0.21158
 23 O     0.00000   -0.01615   -0.08047
 24 O     0.00000   -0.00102    1.14989
 25 Pt   -0.00000    0.01573   -0.37791
 26 Pt    0.00000   -0.00024   -0.43435
 27 O    -1.69175    0.01343   -0.71803
 28 O     1.69175    0.01343   -0.71803
 29 O    -0.00000    0.04794   -1.38677
 30 O     0.00000   -0.00472    1.83306
 31 Pt   -0.00000    0.01899    0.51002
 32 Pt    0.00000   -0.14808    0.57027
 33 O    -1.61451   -0.01893    0.07005
 34 O     1.61451   -0.01893    0.07005
 35 O     0.00000   -0.03240   -0.52449
 36 O    -0.00000    0.19828   -0.10533
 37 Pt    0.00000   -0.27762   -0.03745
 38 Pt    0.00000   -0.00462   -0.01026
 39 O     0.00947    0.01165    0.01506
 40 O    -0.00947    0.01165    0.01506
 41 O     0.00000   -0.00529   -0.00222
 42 O    -0.00000    0.02812   -0.01575
 43 Pt    0.00000   -0.00698    0.03518
 44 Pt    0.00000   -0.07426    0.00905
 45 O    -0.13289   -0.32519    0.05353
 46 O     0.13289   -0.32519    0.05353
 47 O     0.00000   -0.02195   -0.04914
 48 O    -0.00000    0.02214    1.17184
 49 Pt    0.00000   -0.02227   -0.37672
 50 Pt   -0.00000    0.02117   -0.43535
 51 O    -1.69089   -0.01396   -0.71845
 52 O     1.69089   -0.01396   -0.71845
 53 O     0.00000   -0.01303   -1.40472
 54 O     0.00000   -0.00196    1.77521
 55 Pt    0.00000   -0.01212    0.51593
 56 Pt   -0.00000    0.12842    0.64760
 57 O    -1.61380    0.01382    0.09196
 58 O     1.61380    0.01382    0.09196
 59 O     0.00000   -0.02116   -0.51609
 60 O     0.00000   -0.18884   -0.10711
 61 Pt   -0.00000    0.01140   -0.08305
 62 Pt   -0.00000    0.01731   -0.00699
 63 O    -0.01429   -0.00719    0.00260
 64 O     0.01429   -0.00719    0.00260
 65 O     0.00000   -0.00089    0.00250
 66 O     0.00000   -0.00954   -0.00226
 67 Pt   -0.00000    0.00767    0.02430
 68 Pt   -0.00000    0.14829    0.01320
 69 O    -0.00874    0.00149   -0.02939
 70 O     0.00874    0.00149   -0.02939
 71 O    -0.00000    0.00743   -0.04647
 72 N     0.00000   -0.14751    0.20045
 73 N     0.00000   -0.02363    0.20941

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    3.399556   24.084057    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.355861   23.715851    ( 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  23:02:50  -5.49   +inf  -414.094721    2      1      
iter:   2  23:04:53  -6.00  -4.24  -414.096923    2      1      
iter:   3  23:06:54  -6.01  -3.52  -414.094936    2      1      
iter:   4  23:08:56  -6.78  -5.00  -414.094752    2      1      
iter:   5  23:10:58  -6.95  -5.04  -414.094841    2      1      
iter:   6  23:12:57  -7.36  -5.22  -414.094832    2      1      
iter:   7  23:14:51  -7.97  -5.66  -414.094825    2      1      

Converged after 7 iterations.

Dipole moment: (-55.962345, -32.587790, 0.070852) |e|*Ang

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

Kinetic:        +18.915683
Potential:     -137.315324
External:        +0.000000
XC:            -305.420433
Entropy (-ST):   -1.564019
Local:          +10.507258
--------------------------
Free energy:   -414.876834
Extrapolated:  -414.094825

Fermi level: -6.47495

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54801    0.14999
  0   340     -6.52962    0.14075
  0   341     -6.52832    0.14007
  0   342     -6.49810    0.12391

  1   339     -6.45034    0.19501
  1   340     -6.40141    0.14400
  1   341     -6.36711    0.11280
  1   342     -6.35400    0.10213



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17386
  1 Pt    0.00000   -0.00162   -0.37433
  2 Pt    0.00000   -0.01901   -0.43406
  3 O    -1.68335    0.00021   -0.71863
  4 O     1.68335    0.00021   -0.71863
  5 O     0.00000   -0.01187   -1.38770
  6 O     0.00000   -0.00257    1.76747
  7 Pt   -0.00000    0.01397    0.45059
  8 Pt    0.00000   -0.03952    0.75495
  9 O    -1.58108    0.00048    0.05108
 10 O     1.58108    0.00048    0.05108
 11 O     0.00000   -0.00895   -0.56561
 12 O    -0.00000    0.00813    0.13183
 13 Pt   -0.00000    0.24773   -0.03805
 14 Pt    0.00000   -0.01927    0.00699
 15 O    -0.00085    0.00976    0.00321
 16 O     0.00085    0.00976    0.00321
 17 O     0.00000   -0.00400   -0.91856
 18 O    -0.00000    0.00273    0.02401
 19 Pt    0.00000   -0.02612    0.10713
 20 Pt   -0.00000    0.00236    0.14461
 21 O    -0.19960    0.35418    0.21145
 22 O     0.19960    0.35418    0.21145
 23 O     0.00000   -0.01618   -0.08054
 24 O     0.00000   -0.00102    1.14998
 25 Pt   -0.00000    0.01575   -0.37774
 26 Pt    0.00000   -0.00023   -0.43417
 27 O    -1.69198    0.01344   -0.71786
 28 O     1.69198    0.01344   -0.71786
 29 O    -0.00000    0.04794   -1.38650
 30 O     0.00000   -0.00472    1.83244
 31 Pt   -0.00000    0.01899    0.50988
 32 Pt    0.00000   -0.14805    0.57030
 33 O    -1.61457   -0.01893    0.07015
 34 O     1.61457   -0.01893    0.07015
 35 O     0.00000   -0.03239   -0.52446
 36 O    -0.00000    0.19835   -0.10533
 37 Pt    0.00000   -0.27771   -0.03790
 38 Pt    0.00000   -0.00465   -0.01068
 39 O     0.00953    0.01165    0.01490
 40 O    -0.00953    0.01165    0.01490
 41 O     0.00000   -0.00533   -0.00315
 42 O    -0.00000    0.02812   -0.01577
 43 Pt    0.00000   -0.00697    0.03482
 44 Pt    0.00000   -0.07409    0.00838
 45 O    -0.13305   -0.32529    0.05374
 46 O     0.13305   -0.32529    0.05374
 47 O     0.00000   -0.02191   -0.04920
 48 O    -0.00000    0.02214    1.17193
 49 Pt    0.00000   -0.02228   -0.37654
 50 Pt   -0.00000    0.02115   -0.43517
 51 O    -1.69112   -0.01396   -0.71827
 52 O     1.69112   -0.01396   -0.71827
 53 O     0.00000   -0.01302   -1.40443
 54 O     0.00000   -0.00196    1.77459
 55 Pt    0.00000   -0.01213    0.51578
 56 Pt   -0.00000    0.12840    0.64763
 57 O    -1.61386    0.01383    0.09205
 58 O     1.61386    0.01383    0.09205
 59 O     0.00000   -0.02117   -0.51607
 60 O     0.00000   -0.18891   -0.10709
 61 Pt   -0.00000    0.01140   -0.08352
 62 Pt   -0.00000    0.01732   -0.00743
 63 O    -0.01423   -0.00719    0.00244
 64 O     0.01423   -0.00719    0.00244
 65 O     0.00000   -0.00087    0.00157
 66 O     0.00000   -0.00954   -0.00226
 67 Pt   -0.00000    0.00767    0.02394
 68 Pt   -0.00000    0.14825    0.01275
 69 O    -0.00870    0.00147   -0.02964
 70 O     0.00870    0.00147   -0.02964
 71 O    -0.00000    0.00741   -0.04652
 72 N     0.00000   -0.13336    0.20929
 73 N     0.00000   -0.04297    0.19747

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    3.399968   24.085097    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.356413   23.716530    ( 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  23:38:14  -5.38   +inf  -414.097589    2      1      
iter:   2  23:40:16  -4.69  -3.49  -414.144629    3      1      
iter:   3  23:42:18  -4.80  -2.74  -414.094826    2      1      
iter:   4  23:44:21  -5.70  -4.40  -414.095259    2      1      
iter:   5  23:46:23  -6.31  -4.88  -414.095081    2      1      
iter:   6  23:48:26  -6.69  -5.20  -414.095072    2      1      
iter:   7  23:50:28  -7.14  -5.28  -414.095121    2      1      
iter:   8  23:52:31  -7.64  -5.34  -414.095104    2      1      

Converged after 8 iterations.

Dipole moment: (-55.962329, -32.587894, 0.071135) |e|*Ang

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

Kinetic:        +18.909162
Potential:     -137.310209
External:        +0.000000
XC:            -305.419148
Entropy (-ST):   -1.563998
Local:          +10.507090
--------------------------
Free energy:   -414.877103
Extrapolated:  -414.095104

Fermi level: -6.47480

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54785    0.14998
  0   340     -6.52947    0.14075
  0   341     -6.52817    0.14008
  0   342     -6.49794    0.12391

  1   339     -6.45016    0.19498
  1   340     -6.40126    0.14401
  1   341     -6.36696    0.11280
  1   342     -6.35383    0.10211



Forces in eV/Ang:
  0 O     0.00000   -0.01727    1.17367
  1 Pt    0.00000   -0.00163   -0.37433
  2 Pt    0.00000   -0.01901   -0.43438
  3 O    -1.68331    0.00020   -0.71853
  4 O     1.68331    0.00020   -0.71853
  5 O     0.00000   -0.01188   -1.38714
  6 O     0.00000   -0.00258    1.76799
  7 Pt   -0.00000    0.01396    0.45153
  8 Pt    0.00000   -0.03952    0.75557
  9 O    -1.58106    0.00048    0.05214
 10 O     1.58106    0.00048    0.05214
 11 O     0.00000   -0.00895   -0.56431
 12 O    -0.00000    0.00814    0.13300
 13 Pt   -0.00000    0.24785   -0.03680
 14 Pt    0.00000   -0.01929    0.00781
 15 O    -0.00085    0.00976    0.00428
 16 O     0.00085    0.00976    0.00428
 17 O     0.00000   -0.00398   -0.91800
 18 O    -0.00000    0.00270    0.02475
 19 Pt    0.00000   -0.02612    0.10786
 20 Pt   -0.00000    0.00232    0.14518
 21 O    -0.19965    0.35437    0.21187
 22 O     0.19965    0.35437    0.21187
 23 O     0.00000   -0.01604   -0.08029
 24 O     0.00000   -0.00102    1.14978
 25 Pt   -0.00000    0.01576   -0.37773
 26 Pt    0.00000   -0.00022   -0.43449
 27 O    -1.69193    0.01346   -0.71776
 28 O     1.69193    0.01346   -0.71776
 29 O    -0.00000    0.04793   -1.38593
 30 O     0.00000   -0.00472    1.83297
 31 Pt   -0.00000    0.01899    0.51084
 32 Pt    0.00000   -0.14803    0.57093
 33 O    -1.61455   -0.01894    0.07120
 34 O     1.61455   -0.01894    0.07120
 35 O     0.00000   -0.03240   -0.52316
 36 O    -0.00000    0.19841   -0.10425
 37 Pt    0.00000   -0.27784   -0.03665
 38 Pt    0.00000   -0.00463   -0.00990
 39 O     0.00953    0.01164    0.01596
 40 O    -0.00953    0.01164    0.01596
 41 O     0.00000   -0.00535   -0.00208
 42 O    -0.00000    0.02813   -0.01502
 43 Pt    0.00000   -0.00699    0.03579
 44 Pt    0.00000   -0.07405    0.00918
 45 O    -0.13346   -0.32554    0.05482
 46 O     0.13346   -0.32554    0.05482
 47 O     0.00000   -0.02209   -0.04894
 48 O    -0.00000    0.02215    1.17174
 49 Pt    0.00000   -0.02228   -0.37654
 50 Pt   -0.00000    0.02115   -0.43549
 51 O    -1.69108   -0.01398   -0.71817
 52 O     1.69108   -0.01398   -0.71817
 53 O     0.00000   -0.01300   -1.40386
 54 O     0.00000   -0.00195    1.77510
 55 Pt    0.00000   -0.01212    0.51673
 56 Pt   -0.00000    0.12838    0.64827
 57 O    -1.61384    0.01383    0.09310
 58 O     1.61384    0.01383    0.09310
 59 O     0.00000   -0.02117   -0.51478
 60 O     0.00000   -0.18898   -0.10595
 61 Pt   -0.00000    0.01143   -0.08230
 62 Pt   -0.00000    0.01733   -0.00661
 63 O    -0.01423   -0.00718    0.00352
 64 O     0.01423   -0.00718    0.00352
 65 O     0.00000   -0.00086    0.00254
 66 O     0.00000   -0.00952   -0.00154
 67 Pt   -0.00000    0.00768    0.02456
 68 Pt   -0.00000    0.14830    0.01354
 69 O    -0.00876    0.00141   -0.02932
 70 O     0.00876    0.00141   -0.02932
 71 O    -0.00000    0.00746   -0.04638
 72 N     0.00000   -0.13012    0.21505
 73 N     0.00000   -0.05372    0.19117

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    3.400405   24.086191    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.356962   23.717251    ( 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  00:15:27  -5.34   +inf  -414.096881    2      1      
iter:   2  00:17:28  -4.72  -3.52  -414.139874    2      1      
iter:   3  00:19:31  -4.64  -2.77  -414.095829    2      1      
iter:   4  00:21:33  -5.54  -4.52  -414.095405    2      1      
iter:   5  00:23:35  -6.14  -4.99  -414.095396    2      1      
iter:   6  00:25:37  -6.54  -5.31  -414.095338    2      1      
iter:   7  00:27:40  -7.04  -5.30  -414.095397    2      1      
iter:   8  00:29:42  -7.72  -5.32  -414.095379    2      1      

Converged after 8 iterations.

Dipole moment: (-55.962334, -32.587818, 0.071223) |e|*Ang

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

Kinetic:        +18.900449
Potential:     -137.304136
External:        +0.000000
XC:            -305.416897
Entropy (-ST):   -1.564011
Local:          +10.507210
--------------------------
Free energy:   -414.877385
Extrapolated:  -414.095379

Fermi level: -6.47490

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54803    0.15002
  0   340     -6.52950    0.14071
  0   341     -6.52819    0.14004
  0   342     -6.49808    0.12394

  1   339     -6.45019    0.19491
  1   340     -6.40131    0.14396
  1   341     -6.36704    0.11279
  1   342     -6.35394    0.10212



Forces in eV/Ang:
  0 O     0.00000   -0.01728    1.17378
  1 Pt    0.00000   -0.00163   -0.37448
  2 Pt    0.00000   -0.01901   -0.43447
  3 O    -1.68372    0.00020   -0.71836
  4 O     1.68372    0.00020   -0.71836
  5 O     0.00000   -0.01187   -1.38671
  6 O     0.00000   -0.00258    1.76679
  7 Pt   -0.00000    0.01396    0.45135
  8 Pt    0.00000   -0.03952    0.75544
  9 O    -1.58108    0.00049    0.05233
 10 O     1.58108    0.00049    0.05233
 11 O     0.00000   -0.00894   -0.56429
 12 O    -0.00000    0.00815    0.13311
 13 Pt   -0.00000    0.24795   -0.03728
 14 Pt    0.00000   -0.01931    0.00743
 15 O    -0.00077    0.00975    0.00413
 16 O     0.00077    0.00975    0.00413
 17 O     0.00000   -0.00399   -0.91946
 18 O    -0.00000    0.00269    0.02472
 19 Pt    0.00000   -0.02615    0.10767
 20 Pt   -0.00000    0.00247    0.14510
 21 O    -0.19951    0.35437    0.21185
 22 O     0.19951    0.35437    0.21185
 23 O     0.00000   -0.01605   -0.08021
 24 O     0.00000   -0.00102    1.14990
 25 Pt   -0.00000    0.01576   -0.37786
 26 Pt    0.00000   -0.00023   -0.43458
 27 O    -1.69234    0.01346   -0.71758
 28 O     1.69234    0.01346   -0.71758
 29 O    -0.00000    0.04792   -1.38552
 30 O     0.00000   -0.00473    1.83180
 31 Pt   -0.00000    0.01899    0.51067
 32 Pt    0.00000   -0.14801    0.57083
 33 O    -1.61457   -0.01894    0.07137
 34 O     1.61457   -0.01894    0.07137
 35 O     0.00000   -0.03240   -0.52312
 36 O    -0.00000    0.19850   -0.10425
 37 Pt    0.00000   -0.27796   -0.03714
 38 Pt    0.00000   -0.00462   -0.01029
 39 O     0.00960    0.01164    0.01580
 40 O    -0.00960    0.01164    0.01580
 41 O     0.00000   -0.00537   -0.00335
 42 O    -0.00000    0.02815   -0.01507
 43 Pt    0.00000   -0.00700    0.03578
 44 Pt    0.00000   -0.07401    0.00899
 45 O    -0.13360   -0.32561    0.05534
 46 O     0.13360   -0.32561    0.05534
 47 O     0.00000   -0.02208   -0.04887
 48 O    -0.00000    0.02216    1.17185
 49 Pt    0.00000   -0.02228   -0.37668
 50 Pt   -0.00000    0.02115   -0.43559
 51 O    -1.69149   -0.01398   -0.71800
 52 O     1.69149   -0.01398   -0.71800
 53 O     0.00000   -0.01300   -1.40345
 54 O     0.00000   -0.00195    1.77391
 55 Pt    0.00000   -0.01213    0.51657
 56 Pt   -0.00000    0.12836    0.64818
 57 O    -1.61386    0.01383    0.09326
 58 O     1.61386    0.01383    0.09326
 59 O     0.00000   -0.02117   -0.51475
 60 O     0.00000   -0.18909   -0.10589
 61 Pt   -0.00000    0.01145   -0.08281
 62 Pt   -0.00000    0.01733   -0.00698
 63 O    -0.01417   -0.00717    0.00337
 64 O     0.01417   -0.00717    0.00337
 65 O     0.00000   -0.00083    0.00111
 66 O     0.00000   -0.00951   -0.00159
 67 Pt   -0.00000    0.00771    0.02438
 68 Pt   -0.00000    0.14826    0.01323
 69 O    -0.00860    0.00139   -0.02942
 70 O     0.00860    0.00139   -0.02942
 71 O    -0.00000    0.00746   -0.04636
 72 N     0.00000   -0.13578    0.21760
 73 N     0.00000   -0.05668    0.18986

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    3.400842   24.087310    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.357521   23.718025    ( 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  00:48:06  -5.08   +inf  -414.110249    2      1      
iter:   2  00:50:09  -3.78  -3.03  -414.527587    3      1      
iter:   3  00:52:10  -3.88  -2.29  -414.097061    3      1      
iter:   4  00:54:10  -4.79  -4.13  -414.095952    2      1      
iter:   5  00:56:04  -5.35  -4.43  -414.096175    2      1      
iter:   6  00:57:59  -5.81  -4.56  -414.095770    2      1      
iter:   7  01:00:00  -6.20  -4.89  -414.095676    2      1      
iter:   8  01:02:02  -6.77  -5.29  -414.095679    2      1      
iter:   9  01:04:05  -7.11  -5.08  -414.095683    2      1      
iter:  10  01:06:07  -7.61  -5.44  -414.095691    2      1      

Converged after 10 iterations.

Dipole moment: (-55.962280, -32.587715, 0.070751) |e|*Ang

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

Kinetic:        +18.906978
Potential:     -137.311881
External:        +0.000000
XC:            -305.416136
Entropy (-ST):   -1.563968
Local:          +10.507332
--------------------------
Free energy:   -414.877675
Extrapolated:  -414.095691

Fermi level: -6.47503

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54796    0.14992
  0   340     -6.52974    0.14077
  0   341     -6.52845    0.14010
  0   342     -6.49814    0.12389

  1   339     -6.45040    0.19500
  1   340     -6.40153    0.14405
  1   341     -6.36716    0.11278
  1   342     -6.35404    0.10210



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17373
  1 Pt    0.00000   -0.00164   -0.37446
  2 Pt    0.00000   -0.01901   -0.43463
  3 O    -1.68300    0.00020   -0.71850
  4 O     1.68300    0.00020   -0.71850
  5 O     0.00000   -0.01187   -1.38695
  6 O     0.00000   -0.00259    1.76859
  7 Pt   -0.00000    0.01397    0.45167
  8 Pt    0.00000   -0.03953    0.75572
  9 O    -1.58099    0.00049    0.05231
 10 O     1.58099    0.00049    0.05231
 11 O     0.00000   -0.00896   -0.56412
 12 O    -0.00000    0.00811    0.13323
 13 Pt   -0.00000    0.24808   -0.03676
 14 Pt    0.00000   -0.01929    0.00784
 15 O    -0.00095    0.00977    0.00415
 16 O     0.00095    0.00977    0.00415
 17 O     0.00000   -0.00398   -0.91798
 18 O    -0.00000    0.00274    0.02458
 19 Pt    0.00000   -0.02614    0.10813
 20 Pt   -0.00000    0.00250    0.14587
 21 O    -0.19996    0.35476    0.21085
 22 O     0.19996    0.35476    0.21085
 23 O     0.00000   -0.01603   -0.08039
 24 O     0.00000   -0.00102    1.14983
 25 Pt   -0.00000    0.01577   -0.37784
 26 Pt    0.00000   -0.00023   -0.43474
 27 O    -1.69162    0.01346   -0.71772
 28 O     1.69162    0.01346   -0.71772
 29 O    -0.00000    0.04791   -1.38574
 30 O     0.00000   -0.00471    1.83361
 31 Pt   -0.00000    0.01900    0.51100
 32 Pt    0.00000   -0.14798    0.57113
 33 O    -1.61447   -0.01895    0.07137
 34 O     1.61447   -0.01895    0.07137
 35 O     0.00000   -0.03240   -0.52294
 36 O    -0.00000    0.19854   -0.10414
 37 Pt    0.00000   -0.27806   -0.03663
 38 Pt    0.00000   -0.00467   -0.00989
 39 O     0.00944    0.01163    0.01585
 40 O    -0.00944    0.01163    0.01585
 41 O     0.00000   -0.00537   -0.00084
 42 O    -0.00000    0.02803   -0.01528
 43 Pt    0.00000   -0.00703    0.03636
 44 Pt    0.00000   -0.07425    0.00977
 45 O    -0.13416   -0.32612    0.05457
 46 O     0.13416   -0.32612    0.05457
 47 O     0.00000   -0.02222   -0.04901
 48 O    -0.00000    0.02214    1.17179
 49 Pt    0.00000   -0.02229   -0.37666
 50 Pt   -0.00000    0.02116   -0.43575
 51 O    -1.69077   -0.01398   -0.71814
 52 O     1.69077   -0.01398   -0.71814
 53 O     0.00000   -0.01299   -1.40367
 54 O     0.00000   -0.00195    1.77572
 55 Pt    0.00000   -0.01213    0.51690
 56 Pt   -0.00000    0.12834    0.64847
 57 O    -1.61377    0.01383    0.09327
 58 O     1.61377    0.01383    0.09327
 59 O     0.00000   -0.02116   -0.51459
 60 O     0.00000   -0.18908   -0.10581
 61 Pt   -0.00000    0.01145   -0.08232
 62 Pt   -0.00000    0.01737   -0.00658
 63 O    -0.01430   -0.00718    0.00339
 64 O     0.01430   -0.00718    0.00339
 65 O     0.00000   -0.00082    0.00387
 66 O     0.00000   -0.00943   -0.00181
 67 Pt   -0.00000    0.00772    0.02470
 68 Pt   -0.00000    0.14854    0.01404
 69 O    -0.00892    0.00139   -0.03038
 70 O     0.00892    0.00139   -0.03038
 71 O    -0.00000    0.00758   -0.04648
 72 N     0.00000   -0.13318    0.21366
 73 N     0.00000   -0.05772    0.18295

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    3.401296   24.088530    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.358147   23.718954    ( 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  01:18:46  -5.26   +inf  -414.095315    2      1      
iter:   2  01:20:51  -5.52  -3.96  -414.103092    3      1      
iter:   3  01:22:56  -5.51  -3.24  -414.096595    2      1      
iter:   4  01:25:01  -6.28  -4.30  -414.095989    2      1      
iter:   5  01:27:06  -6.63  -5.14  -414.095937    2      1      
iter:   6  01:29:11  -7.10  -4.96  -414.095996    2      1      
iter:   7  01:31:16  -7.73  -5.47  -414.095985    2      1      

Converged after 7 iterations.

Dipole moment: (-55.962363, -32.587485, 0.070497) |e|*Ang

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

Kinetic:        +18.912192
Potential:     -137.317379
External:        +0.000000
XC:            -305.416563
Entropy (-ST):   -1.564034
Local:          +10.507782
--------------------------
Free energy:   -414.878002
Extrapolated:  -414.095985

Fermi level: -6.47521

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54818    0.14994
  0   340     -6.52991    0.14076
  0   341     -6.52862    0.14010
  0   342     -6.49837    0.12392

  1   339     -6.45059    0.19500
  1   340     -6.40169    0.14402
  1   341     -6.36736    0.11279
  1   342     -6.35423    0.10210



Forces in eV/Ang:
  0 O     0.00000   -0.01727    1.17392
  1 Pt    0.00000   -0.00164   -0.37417
  2 Pt    0.00000   -0.01903   -0.43397
  3 O    -1.68320    0.00021   -0.71858
  4 O     1.68320    0.00021   -0.71858
  5 O     0.00000   -0.01185   -1.38768
  6 O     0.00000   -0.00259    1.76825
  7 Pt   -0.00000    0.01398    0.45092
  8 Pt    0.00000   -0.03954    0.75505
  9 O    -1.58108    0.00048    0.05110
 10 O     1.58108    0.00048    0.05110
 11 O     0.00000   -0.00896   -0.56574
 12 O    -0.00000    0.00815    0.13166
 13 Pt   -0.00000    0.24816   -0.03810
 14 Pt    0.00000   -0.01921    0.00706
 15 O    -0.00090    0.00976    0.00308
 16 O     0.00090    0.00976    0.00308
 17 O     0.00000   -0.00394   -0.92018
 18 O    -0.00000    0.00273    0.02380
 19 Pt    0.00000   -0.02606    0.10743
 20 Pt   -0.00000    0.00239    0.14456
 21 O    -0.19981    0.35475    0.21216
 22 O     0.19981    0.35475    0.21216
 23 O     0.00000   -0.01612   -0.08050
 24 O     0.00000   -0.00102    1.15002
 25 Pt   -0.00000    0.01575   -0.37757
 26 Pt    0.00000   -0.00023   -0.43407
 27 O    -1.69182    0.01343   -0.71782
 28 O     1.69182    0.01343   -0.71782
 29 O    -0.00000    0.04790   -1.38652
 30 O     0.00000   -0.00472    1.83334
 31 Pt   -0.00000    0.01899    0.51028
 32 Pt    0.00000   -0.14797    0.57056
 33 O    -1.61455   -0.01894    0.07019
 34 O     1.61455   -0.01894    0.07019
 35 O     0.00000   -0.03241   -0.52456
 36 O    -0.00000    0.19864   -0.10576
 37 Pt    0.00000   -0.27806   -0.03807
 38 Pt    0.00000   -0.00463   -0.01055
 39 O     0.00946    0.01167    0.01477
 40 O    -0.00946    0.01167    0.01477
 41 O     0.00000   -0.00533   -0.00326
 42 O    -0.00000    0.02827   -0.01608
 43 Pt    0.00000   -0.00711    0.03568
 44 Pt    0.00000   -0.07383    0.00834
 45 O    -0.13418   -0.32624    0.05656
 46 O     0.13418   -0.32624    0.05656
 47 O     0.00000   -0.02198   -0.04905
 48 O    -0.00000    0.02215    1.17198
 49 Pt    0.00000   -0.02226   -0.37638
 50 Pt   -0.00000    0.02117   -0.43509
 51 O    -1.69096   -0.01396   -0.71823
 52 O     1.69096   -0.01396   -0.71823
 53 O     0.00000   -0.01300   -1.40443
 54 O     0.00000   -0.00194    1.77539
 55 Pt    0.00000   -0.01214    0.51616
 56 Pt   -0.00000    0.12834    0.64780
 57 O    -1.61386    0.01383    0.09206
 58 O     1.61386    0.01383    0.09206
 59 O     0.00000   -0.02115   -0.51620
 60 O     0.00000   -0.18921   -0.10744
 61 Pt   -0.00000    0.01138   -0.08368
 62 Pt   -0.00000    0.01724   -0.00728
 63 O    -0.01433   -0.00723    0.00231
 64 O     0.01433   -0.00723    0.00231
 65 O     0.00000   -0.00092    0.00175
 66 O     0.00000   -0.00967   -0.00251
 67 Pt   -0.00000    0.00774    0.02387
 68 Pt   -0.00000    0.14836    0.01292
 69 O    -0.00866    0.00142   -0.02930
 70 O     0.00866    0.00142   -0.02930
 71 O    -0.00000    0.00740   -0.04653
 72 N     0.00000   -0.13079    0.21814
 73 N     0.00000   -0.06937    0.18308

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    3.401806   24.089777    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.358772   23.720005    ( 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  01:51:10  -5.23   +inf  -414.096746    2      1      
iter:   2  01:53:16  -5.77  -4.15  -414.097592    2      1      
iter:   3  01:55:21  -5.82  -3.43  -414.096127    2      1      
iter:   4  01:57:26  -6.60  -4.65  -414.096406    2      1      
iter:   5  01:59:31  -6.74  -5.03  -414.096312    2      1      
iter:   6  02:01:37  -7.36  -5.33  -414.096334    2      1      
iter:   7  02:03:42  -7.78  -5.51  -414.096333    2      1      

Converged after 7 iterations.

Dipole moment: (-55.962351, -32.587400, 0.070472) |e|*Ang

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

Kinetic:        +18.915336
Potential:     -137.321188
External:        +0.000000
XC:            -305.416400
Entropy (-ST):   -1.564021
Local:          +10.507930
--------------------------
Free energy:   -414.878343
Extrapolated:  -414.096333

Fermi level: -6.47528

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54817    0.14990
  0   340     -6.52997    0.14076
  0   341     -6.52869    0.14010
  0   342     -6.49840    0.12390

  1   339     -6.45065    0.19500
  1   340     -6.40177    0.14403
  1   341     -6.36740    0.11277
  1   342     -6.35430    0.10210



Forces in eV/Ang:
  0 O     0.00000   -0.01727    1.17368
  1 Pt    0.00000   -0.00166   -0.37460
  2 Pt    0.00000   -0.01900   -0.43429
  3 O    -1.68315    0.00020   -0.71867
  4 O     1.68315    0.00020   -0.71867
  5 O     0.00000   -0.01185   -1.38755
  6 O     0.00000   -0.00254    1.76842
  7 Pt   -0.00000    0.01398    0.45140
  8 Pt    0.00000   -0.03954    0.75562
  9 O    -1.58091    0.00048    0.05167
 10 O     1.58091    0.00048    0.05167
 11 O     0.00000   -0.00895   -0.56495
 12 O    -0.00000    0.00806    0.13257
 13 Pt   -0.00000    0.24830   -0.03721
 14 Pt    0.00000   -0.01941    0.00757
 15 O    -0.00087    0.00983    0.00385
 16 O     0.00087    0.00983    0.00385
 17 O     0.00000   -0.00395   -0.92029
 18 O    -0.00000    0.00268    0.02436
 19 Pt    0.00000   -0.02600    0.10805
 20 Pt   -0.00000    0.00234    0.14502
 21 O    -0.19992    0.35492    0.21234
 22 O     0.19992    0.35492    0.21234
 23 O     0.00000   -0.01604   -0.08052
 24 O     0.00000   -0.00101    1.14980
 25 Pt   -0.00000    0.01579   -0.37797
 26 Pt    0.00000   -0.00021   -0.43440
 27 O    -1.69177    0.01346   -0.71790
 28 O     1.69177    0.01346   -0.71790
 29 O    -0.00000    0.04789   -1.38639
 30 O     0.00000   -0.00469    1.83324
 31 Pt   -0.00000    0.01895    0.51063
 32 Pt    0.00000   -0.14790    0.57104
 33 O    -1.61439   -0.01894    0.07072
 34 O     1.61439   -0.01894    0.07072
 35 O     0.00000   -0.03239   -0.52389
 36 O    -0.00000    0.19876   -0.10498
 37 Pt    0.00000   -0.27827   -0.03709
 38 Pt    0.00000   -0.00469   -0.01011
 39 O     0.00959    0.01153    0.01555
 40 O    -0.00959    0.01153    0.01555
 41 O     0.00000   -0.00530   -0.00140
 42 O    -0.00000    0.02820   -0.01543
 43 Pt    0.00000   -0.00715    0.03659
 44 Pt    0.00000   -0.07377    0.00899
 45 O    -0.13464   -0.32647    0.05728
 46 O     0.13464   -0.32647    0.05728
 47 O     0.00000   -0.02209   -0.04905
 48 O    -0.00000    0.02214    1.17175
 49 Pt    0.00000   -0.02229   -0.37678
 50 Pt   -0.00000    0.02113   -0.43542
 51 O    -1.69093   -0.01397   -0.71830
 52 O     1.69093   -0.01397   -0.71830
 53 O     0.00000   -0.01300   -1.40431
 54 O     0.00000   -0.00202    1.77547
 55 Pt    0.00000   -0.01210    0.51647
 56 Pt   -0.00000    0.12827    0.64841
 57 O    -1.61370    0.01384    0.09258
 58 O     1.61370    0.01384    0.09258
 59 O     0.00000   -0.02118   -0.51541
 60 O     0.00000   -0.18923   -0.10661
 61 Pt   -0.00000    0.01145   -0.08264
 62 Pt   -0.00000    0.01750   -0.00687
 63 O    -0.01412   -0.00715    0.00306
 64 O     0.01412   -0.00715    0.00306
 65 O     0.00000   -0.00085    0.00307
 66 O     0.00000   -0.00955   -0.00200
 67 Pt   -0.00000    0.00771    0.02460
 68 Pt   -0.00000    0.14830    0.01351
 69 O    -0.00895    0.00134   -0.02929
 70 O     0.00895    0.00134   -0.02929
 71 O    -0.00000    0.00744   -0.04655
 72 N     0.00000   -0.12212    0.21324
 73 N     0.00000   -0.07708    0.17896

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    3.402419   24.091132    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.359401   23.721303    ( 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  02:21:57  -5.12   +inf  -414.096390    2      1      
iter:   2  02:23:59  -5.75  -4.17  -414.099670    2      1      
iter:   3  02:26:00  -5.89  -3.44  -414.096954    2      1      
iter:   4  02:28:03  -6.63  -4.68  -414.096649    2      1      
iter:   5  02:30:05  -6.83  -4.79  -414.096728    2      1      
iter:   6  02:32:00  -7.05  -5.27  -414.096735    2      1      
iter:   7  02:33:55  -7.55  -5.35  -414.096728    2      1      

Converged after 7 iterations.

Dipole moment: (-55.962365, -32.587226, 0.070212) |e|*Ang

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

Kinetic:        +18.908909
Potential:     -137.317912
External:        +0.000000
XC:            -305.413840
Entropy (-ST):   -1.564012
Local:          +10.508121
--------------------------
Free energy:   -414.878734
Extrapolated:  -414.096728

Fermi level: -6.47540

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54824    0.14988
  0   340     -6.53015    0.14079
  0   341     -6.52887    0.14013
  0   342     -6.49853    0.12390

  1   339     -6.45078    0.19500
  1   340     -6.40192    0.14406
  1   341     -6.36753    0.11278
  1   342     -6.35438    0.10208



Forces in eV/Ang:
  0 O     0.00000   -0.01728    1.17376
  1 Pt    0.00000   -0.00165   -0.37435
  2 Pt    0.00000   -0.01905   -0.43420
  3 O    -1.68297    0.00021   -0.71871
  4 O     1.68297    0.00021   -0.71871
  5 O     0.00000   -0.01185   -1.38781
  6 O     0.00000   -0.00257    1.76886
  7 Pt   -0.00000    0.01397    0.45110
  8 Pt    0.00000   -0.03953    0.75520
  9 O    -1.58099    0.00049    0.05113
 10 O     1.58099    0.00049    0.05113
 11 O     0.00000   -0.00895   -0.56546
 12 O    -0.00000    0.00815    0.13191
 13 Pt   -0.00000    0.24847   -0.03775
 14 Pt    0.00000   -0.01922    0.00738
 15 O    -0.00091    0.00979    0.00323
 16 O     0.00091    0.00979    0.00323
 17 O     0.00000   -0.00380   -0.92054
 18 O    -0.00000    0.00271    0.02386
 19 Pt    0.00000   -0.02601    0.10825
 20 Pt   -0.00000    0.00208    0.14479
 21 O    -0.20013    0.35536    0.21250
 22 O     0.20013    0.35536    0.21250
 23 O     0.00000   -0.01601   -0.08031
 24 O     0.00000   -0.00101    1.14986
 25 Pt   -0.00000    0.01577   -0.37773
 26 Pt    0.00000   -0.00023   -0.43428
 27 O    -1.69157    0.01342   -0.71795
 28 O     1.69157    0.01342   -0.71795
 29 O    -0.00000    0.04788   -1.38669
 30 O     0.00000   -0.00471    1.83409
 31 Pt   -0.00000    0.01900    0.51047
 32 Pt    0.00000   -0.14788    0.57086
 33 O    -1.61447   -0.01893    0.07022
 34 O     1.61447   -0.01893    0.07022
 35 O     0.00000   -0.03240   -0.52427
 36 O    -0.00000    0.19888   -0.10570
 37 Pt    0.00000   -0.27838   -0.03777
 38 Pt    0.00000   -0.00461   -0.01035
 39 O     0.00947    0.01164    0.01494
 40 O    -0.00947    0.01164    0.01494
 41 O     0.00000   -0.00529   -0.00187
 42 O    -0.00000    0.02829   -0.01608
 43 Pt    0.00000   -0.00720    0.03697
 44 Pt    0.00000   -0.07384    0.00928
 45 O    -0.13528   -0.32714    0.05852
 46 O     0.13528   -0.32714    0.05852
 47 O     0.00000   -0.02213   -0.04886
 48 O    -0.00000    0.02216    1.17182
 49 Pt    0.00000   -0.02227   -0.37656
 50 Pt   -0.00000    0.02119   -0.43533
 51 O    -1.69072   -0.01394   -0.71836
 52 O     1.69072   -0.01394   -0.71836
 53 O     0.00000   -0.01298   -1.40459
 54 O     0.00000   -0.00197    1.77604
 55 Pt    0.00000   -0.01215    0.51637
 56 Pt   -0.00000    0.12825    0.64807
 57 O    -1.61377    0.01382    0.09209
 58 O     1.61377    0.01382    0.09209
 59 O     0.00000   -0.02116   -0.51591
 60 O     0.00000   -0.18944   -0.10729
 61 Pt   -0.00000    0.01139   -0.08339
 62 Pt   -0.00000    0.01724   -0.00702
 63 O    -0.01430   -0.00722    0.00246
 64 O     0.01430   -0.00722    0.00246
 65 O     0.00000   -0.00093    0.00300
 66 O     0.00000   -0.00966   -0.00254
 67 Pt   -0.00000    0.00777    0.02451
 68 Pt   -0.00000    0.14844    0.01371
 69 O    -0.00887    0.00134   -0.02926
 70 O     0.00887    0.00134   -0.02926
 71 O    -0.00000    0.00745   -0.04642
 72 N     0.00000   -0.12677    0.21305
 73 N     0.00000   -0.08107    0.19366

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    3.403067   24.092450    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.360083   23.722941    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:58:01  -4.99   +inf  -414.098513    2      1      
iter:   2  03:00:06  -4.55  -3.42  -414.173527    3      1      
iter:   3  03:02:09  -4.67  -2.67  -414.097485    2      1      
iter:   4  03:04:13  -5.55  -4.54  -414.097115    2      1      
iter:   5  03:06:16  -6.02  -4.81  -414.097217    2      1      
iter:   6  03:08:20  -6.38  -4.91  -414.097074    2      1      
iter:   7  03:10:26  -6.97  -5.08  -414.097152    2      1      
iter:   8  03:12:31  -7.33  -5.31  -414.097145    2      1      
iter:   9  03:14:35  -7.80  -5.38  -414.097204    2      1      

Converged after 9 iterations.

Dipole moment: (-55.962362, -32.586802, 0.069450) |e|*Ang

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

Kinetic:        +18.940792
Potential:     -137.347618
External:        +0.000000
XC:            -305.417021
Entropy (-ST):   -1.563945
Local:          +10.508616
--------------------------
Free energy:   -414.879176
Extrapolated:  -414.097204

Fermi level: -6.47579

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54839    0.14976
  0   340     -6.53065    0.14085
  0   341     -6.52938    0.14019
  0   342     -6.49883    0.12385

  1   339     -6.45123    0.19507
  1   340     -6.40240    0.14415
  1   341     -6.36791    0.11277
  1   342     -6.35472    0.10204



Forces in eV/Ang:
  0 O     0.00000   -0.01727    1.17382
  1 Pt    0.00000   -0.00166   -0.37444
  2 Pt    0.00000   -0.01901   -0.43413
  3 O    -1.68244    0.00021   -0.71887
  4 O     1.68244    0.00021   -0.71887
  5 O     0.00000   -0.01184   -1.38845
  6 O     0.00000   -0.00256    1.77030
  7 Pt   -0.00000    0.01397    0.45114
  8 Pt    0.00000   -0.03956    0.75522
  9 O    -1.58085    0.00048    0.05062
 10 O     1.58085    0.00048    0.05062
 11 O     0.00000   -0.00894   -0.56610
 12 O    -0.00000    0.00808    0.13132
 13 Pt   -0.00000    0.24873   -0.03749
 14 Pt    0.00000   -0.01931    0.00763
 15 O    -0.00102    0.00980    0.00297
 16 O     0.00102    0.00980    0.00297
 17 O     0.00000   -0.00372   -0.92002
 18 O    -0.00000    0.00269    0.02325
 19 Pt    0.00000   -0.02593    0.10818
 20 Pt   -0.00000    0.00175    0.14468
 21 O    -0.20070    0.35584    0.21210
 22 O     0.20070    0.35584    0.21210
 23 O     0.00000   -0.01615   -0.08098
 24 O     0.00000   -0.00102    1.14993
 25 Pt   -0.00000    0.01579   -0.37782
 26 Pt    0.00000   -0.00022   -0.43424
 27 O    -1.69107    0.01344   -0.71810
 28 O     1.69107    0.01344   -0.71810
 29 O    -0.00000    0.04786   -1.38732
 30 O     0.00000   -0.00470    1.83523
 31 Pt   -0.00000    0.01898    0.51042
 32 Pt    0.00000   -0.14783    0.57087
 33 O    -1.61432   -0.01893    0.06970
 34 O     1.61432   -0.01893    0.06970
 35 O     0.00000   -0.03240   -0.52493
 36 O    -0.00000    0.19903   -0.10644
 37 Pt    0.00000   -0.27869   -0.03750
 38 Pt    0.00000   -0.00466   -0.01005
 39 O     0.00940    0.01162    0.01469
 40 O    -0.00940    0.01162    0.01469
 41 O     0.00000   -0.00524    0.00083
 42 O    -0.00000    0.02830   -0.01668
 43 Pt    0.00000   -0.00723    0.03698
 44 Pt    0.00000   -0.07389    0.00891
 45 O    -0.13599   -0.32781    0.05836
 46 O     0.13599   -0.32781    0.05836
 47 O     0.00000   -0.02197   -0.04946
 48 O    -0.00000    0.02214    1.17188
 49 Pt    0.00000   -0.02228   -0.37663
 50 Pt   -0.00000    0.02115   -0.43526
 51 O    -1.69022   -0.01396   -0.71851
 52 O     1.69022   -0.01396   -0.71851
 53 O     0.00000   -0.01298   -1.40522
 54 O     0.00000   -0.00199    1.77744
 55 Pt    0.00000   -0.01212    0.51630
 56 Pt   -0.00000    0.12822    0.64812
 57 O    -1.61364    0.01383    0.09155
 58 O     1.61364    0.01383    0.09155
 59 O     0.00000   -0.02117   -0.51654
 60 O     0.00000   -0.18950   -0.10802
 61 Pt   -0.00000    0.01143   -0.08312
 62 Pt   -0.00000    0.01737   -0.00679
 63 O    -0.01438   -0.00721    0.00217
 64 O     0.01438   -0.00721    0.00217
 65 O     0.00000   -0.00090    0.00548
 66 O     0.00000   -0.00964   -0.00317
 67 Pt   -0.00000    0.00772    0.02434
 68 Pt   -0.00000    0.14854    0.01350
 69 O    -0.00934    0.00133   -0.02976
 70 O     0.00934    0.00133   -0.02976
 71 O    -0.00000    0.00742   -0.04690
 72 N     0.00000   -0.10759    0.20180
 73 N     0.00000   -0.08863    0.19394

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    3.403680   24.093767    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.360879   23.724973    ( 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  03:28:50  -4.67   +inf  -414.123379    2      1      
iter:   2  03:30:55  -3.47  -2.87  -414.982239    3      1      
iter:   3  03:33:00  -3.71  -2.14  -414.100542    3      1      
iter:   4  03:35:04  -4.43  -3.45  -414.098943    3      1      
iter:   5  03:37:09  -4.97  -4.15  -414.097866    2      1      
iter:   6  03:39:13  -5.38  -4.33  -414.097710    2      1      
iter:   7  03:41:18  -5.79  -4.81  -414.097623    2      1      
iter:   8  03:43:22  -6.40  -4.58  -414.097689    2      1      
iter:   9  03:45:26  -6.85  -5.10  -414.097671    2      1      
iter:  10  03:47:29  -7.23  -5.12  -414.097649    2      1      
iter:  11  03:49:31  -7.43  -5.12  -414.097692    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962310, -32.586498, 0.069861) |e|*Ang

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

Kinetic:        +19.018025
Potential:     -137.413569
External:        +0.000000
XC:            -305.428903
Entropy (-ST):   -1.563995
Local:          +10.508753
--------------------------
Free energy:   -414.879689
Extrapolated:  -414.097692

Fermi level: -6.47576

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54861    0.14989
  0   340     -6.53044    0.14075
  0   341     -6.52915    0.14009
  0   342     -6.49893    0.12392

  1   339     -6.45107    0.19493
  1   340     -6.40223    0.14402
  1   341     -6.36786    0.11276
  1   342     -6.35474    0.10207



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17398
  1 Pt    0.00000   -0.00167   -0.37460
  2 Pt    0.00000   -0.01901   -0.43443
  3 O    -1.68337    0.00020   -0.71871
  4 O     1.68337    0.00020   -0.71871
  5 O     0.00000   -0.01183   -1.38817
  6 O     0.00000   -0.00258    1.76649
  7 Pt   -0.00000    0.01398    0.45031
  8 Pt    0.00000   -0.03959    0.75454
  9 O    -1.58117    0.00048    0.05049
 10 O     1.58117    0.00048    0.05049
 11 O     0.00000   -0.00895   -0.56635
 12 O    -0.00000    0.00809    0.13125
 13 Pt   -0.00000    0.24912   -0.03816
 14 Pt    0.00000   -0.01929    0.00737
 15 O    -0.00088    0.00979    0.00307
 16 O     0.00088    0.00979    0.00307
 17 O     0.00000   -0.00351   -0.92360
 18 O    -0.00000    0.00270    0.02352
 19 Pt    0.00000   -0.02602    0.10767
 20 Pt   -0.00000    0.00066    0.14354
 21 O    -0.20023    0.35599    0.21216
 22 O     0.20023    0.35599    0.21216
 23 O     0.00000   -0.01639   -0.08154
 24 O     0.00000   -0.00101    1.15009
 25 Pt   -0.00000    0.01582   -0.37799
 26 Pt    0.00000   -0.00022   -0.43455
 27 O    -1.69200    0.01344   -0.71796
 28 O     1.69200    0.01344   -0.71796
 29 O    -0.00000    0.04784   -1.38714
 30 O     0.00000   -0.00470    1.83145
 31 Pt   -0.00000    0.01898    0.50960
 32 Pt    0.00000   -0.14776    0.57032
 33 O    -1.61463   -0.01893    0.06953
 34 O     1.61463   -0.01893    0.06953
 35 O     0.00000   -0.03239   -0.52523
 36 O    -0.00000    0.19927   -0.10677
 37 Pt    0.00000   -0.27912   -0.03815
 38 Pt    0.00000   -0.00460   -0.01023
 39 O     0.00952    0.01163    0.01476
 40 O    -0.00952    0.01163    0.01476
 41 O     0.00000   -0.00530   -0.00266
 42 O    -0.00000    0.02845   -0.01636
 43 Pt    0.00000   -0.00710    0.03604
 44 Pt    0.00000   -0.07332    0.00687
 45 O    -0.13567   -0.32820    0.05842
 46 O     0.13567   -0.32820    0.05842
 47 O     0.00000   -0.02166   -0.05005
 48 O    -0.00000    0.02213    1.17204
 49 Pt    0.00000   -0.02229   -0.37681
 50 Pt   -0.00000    0.02115   -0.43558
 51 O    -1.69115   -0.01396   -0.71836
 52 O     1.69115   -0.01396   -0.71836
 53 O     0.00000   -0.01296   -1.40502
 54 O     0.00000   -0.00197    1.77363
 55 Pt    0.00000   -0.01213    0.51548
 56 Pt   -0.00000    0.12819    0.64755
 57 O    -1.61395    0.01382    0.09137
 58 O     1.61395    0.01382    0.09137
 59 O     0.00000   -0.02117   -0.51682
 60 O     0.00000   -0.18973   -0.10836
 61 Pt   -0.00000    0.01144   -0.08390
 62 Pt   -0.00000    0.01729   -0.00694
 63 O    -0.01434   -0.00721    0.00230
 64 O     0.01434   -0.00721    0.00230
 65 O     0.00000   -0.00082    0.00206
 66 O     0.00000   -0.00980   -0.00282
 67 Pt   -0.00000    0.00773    0.02363
 68 Pt   -0.00000    0.14839    0.01295
 69 O    -0.00864    0.00131   -0.03000
 70 O     0.00864    0.00131   -0.03000
 71 O    -0.00000    0.00732   -0.04720
 72 N     0.00000   -0.04409    0.20016
 73 N     0.00000   -0.12697    0.17784

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    3.404584   24.095224    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.361512   23.727284    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:01:27  -4.79   +inf  -414.097543    3      1      
iter:   2  04:03:28  -5.13  -3.77  -414.110146    3      1      
iter:   3  04:05:30  -5.19  -3.08  -414.099751    2      1      
iter:   4  04:07:28  -5.88  -3.98  -414.098329    3      1      
iter:   5  04:09:23  -6.31  -4.64  -414.098210    2      1      
iter:   6  04:11:18  -6.63  -5.01  -414.098258    2      1      
iter:   7  04:13:21  -7.09  -4.83  -414.098277    2      1      
iter:   8  04:15:23  -7.70  -5.18  -414.098288    2      1      

Converged after 8 iterations.

Dipole moment: (-55.962377, -32.586067, 0.069463) |e|*Ang

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

Kinetic:        +18.989848
Potential:     -137.390951
External:        +0.000000
XC:            -305.424303
Entropy (-ST):   -1.564062
Local:          +10.509150
--------------------------
Free energy:   -414.880319
Extrapolated:  -414.098288

Fermi level: -6.47622

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54905    0.14987
  0   340     -6.53087    0.14074
  0   341     -6.52958    0.14007
  0   342     -6.49940    0.12393

  1   339     -6.45154    0.19494
  1   340     -6.40267    0.14399
  1   341     -6.36832    0.11275
  1   342     -6.35521    0.10208



Forces in eV/Ang:
  0 O     0.00000   -0.01729    1.17382
  1 Pt    0.00000   -0.00169   -0.37424
  2 Pt    0.00000   -0.01903   -0.43418
  3 O    -1.68352    0.00020   -0.71838
  4 O     1.68352    0.00020   -0.71838
  5 O     0.00000   -0.01185   -1.38699
  6 O     0.00000   -0.00260    1.76780
  7 Pt   -0.00000    0.01400    0.45159
  8 Pt    0.00000   -0.03956    0.75558
  9 O    -1.58109    0.00049    0.05215
 10 O     1.58109    0.00049    0.05215
 11 O     0.00000   -0.00894   -0.56464
 12 O    -0.00000    0.00819    0.13285
 13 Pt   -0.00000    0.24943   -0.03798
 14 Pt    0.00000   -0.01928    0.00716
 15 O    -0.00088    0.00982    0.00359
 16 O     0.00088    0.00982    0.00359
 17 O     0.00000   -0.00322   -0.92575
 18 O    -0.00000    0.00265    0.02428
 19 Pt    0.00000   -0.02589    0.10863
 20 Pt   -0.00000    0.00054    0.14397
 21 O    -0.20040    0.35638    0.21319
 22 O     0.20040    0.35638    0.21319
 23 O     0.00000   -0.01586   -0.08049
 24 O     0.00000   -0.00101    1.14992
 25 Pt   -0.00000    0.01583   -0.37762
 26 Pt    0.00000   -0.00021   -0.43432
 27 O    -1.69213    0.01345   -0.71761
 28 O     1.69213    0.01345   -0.71761
 29 O    -0.00000    0.04782   -1.38599
 30 O     0.00000   -0.00469    1.83280
 31 Pt   -0.00000    0.01897    0.51094
 32 Pt    0.00000   -0.14768    0.57145
 33 O    -1.61456   -0.01895    0.07121
 34 O     1.61456   -0.01895    0.07121
 35 O     0.00000   -0.03240   -0.52351
 36 O    -0.00000    0.19955   -0.10544
 37 Pt    0.00000   -0.27954   -0.03811
 38 Pt    0.00000   -0.00461   -0.01051
 39 O     0.00951    0.01162    0.01526
 40 O    -0.00951    0.01162    0.01526
 41 O     0.00000   -0.00526   -0.00254
 42 O    -0.00000    0.02858   -0.01579
 43 Pt    0.00000   -0.00729    0.03838
 44 Pt    0.00000   -0.07399    0.00988
 45 O    -0.13716   -0.32901    0.06262
 46 O     0.13716   -0.32901    0.06262
 47 O     0.00000   -0.02222   -0.04897
 48 O    -0.00000    0.02216    1.17189
 49 Pt    0.00000   -0.02228   -0.37645
 50 Pt   -0.00000    0.02115   -0.43535
 51 O    -1.69129   -0.01397   -0.71801
 52 O     1.69129   -0.01397   -0.71801
 53 O     0.00000   -0.01293   -1.40385
 54 O     0.00000   -0.00196    1.77488
 55 Pt    0.00000   -0.01214    0.51679
 56 Pt   -0.00000    0.12810    0.64865
 57 O    -1.61389    0.01383    0.09304
 58 O     1.61389    0.01383    0.09304
 59 O     0.00000   -0.02117   -0.51511
 60 O     0.00000   -0.19007   -0.10686
 61 Pt   -0.00000    0.01148   -0.08371
 62 Pt   -0.00000    0.01730   -0.00715
 63 O    -0.01428   -0.00722    0.00286
 64 O     0.01428   -0.00722    0.00286
 65 O     0.00000   -0.00086    0.00184
 66 O     0.00000   -0.00986   -0.00227
 67 Pt   -0.00000    0.00777    0.02438
 68 Pt   -0.00000    0.14839    0.01375
 69 O    -0.00877    0.00126   -0.02932
 70 O     0.00877    0.00126   -0.02932
 71 O    -0.00000    0.00737   -0.04670
 72 N     0.00000   -0.05977    0.21582
 73 N     0.00000   -0.13694    0.23278

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    3.405679   24.096688    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.362237   23.730433    ( 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  04:33:54  -4.57   +inf  -414.101516    2      1      
iter:   2  04:35:58  -4.49  -3.41  -414.171487    2      1      
iter:   3  04:38:03  -4.62  -2.66  -414.099549    2      1      
iter:   4  04:40:08  -5.48  -4.42  -414.098982    2      1      
iter:   5  04:42:13  -6.02  -4.60  -414.099169    2      1      
iter:   6  04:44:18  -6.19  -4.87  -414.099008    2      1      
iter:   7  04:46:23  -6.76  -4.76  -414.099112    2      1      
iter:   8  04:48:27  -7.22  -5.22  -414.099089    2      1      
iter:   9  04:50:31  -7.31  -4.87  -414.099093    2      1      
iter:  10  04:52:37  -7.57  -5.06  -414.099216    2      1      

Converged after 10 iterations.

Dipole moment: (-55.962364, -32.585294, 0.068847) |e|*Ang

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

Kinetic:        +19.031347
Potential:     -137.430033
External:        +0.000000
XC:            -305.428295
Entropy (-ST):   -1.563889
Local:          +10.509710
--------------------------
Free energy:   -414.881161
Extrapolated:  -414.099216

Fermi level: -6.47682

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54949    0.14979
  0   340     -6.53151    0.14076
  0   341     -6.53023    0.14010
  0   342     -6.49993    0.12389

  1   339     -6.45203    0.19481
  1   340     -6.40333    0.14405
  1   341     -6.36888    0.11272
  1   342     -6.35571    0.10200



Forces in eV/Ang:
  0 O     0.00000   -0.01728    1.17390
  1 Pt    0.00000   -0.00171   -0.37470
  2 Pt    0.00000   -0.01901   -0.43451
  3 O    -1.68364    0.00021   -0.71856
  4 O     1.68364    0.00021   -0.71856
  5 O     0.00000   -0.01184   -1.38720
  6 O     0.00000   -0.00258    1.76689
  7 Pt   -0.00000    0.01393    0.45100
  8 Pt    0.00000   -0.03958    0.75494
  9 O    -1.58076    0.00046    0.05183
 10 O     1.58076    0.00046    0.05183
 11 O     0.00000   -0.00894   -0.56434
 12 O    -0.00000    0.00813    0.13339
 13 Pt   -0.00000    0.25015   -0.03661
 14 Pt    0.00000   -0.01930    0.00844
 15 O    -0.00063    0.00978    0.00406
 16 O     0.00063    0.00978    0.00406
 17 O     0.00000   -0.00281   -0.92650
 18 O    -0.00000    0.00271    0.02475
 19 Pt    0.00000   -0.02587    0.10960
 20 Pt    0.00000   -0.00052    0.14563
 21 O    -0.20088    0.35685    0.21332
 22 O     0.20088    0.35685    0.21332
 23 O     0.00000   -0.01614   -0.08141
 24 O     0.00000   -0.00102    1.15001
 25 Pt   -0.00000    0.01586   -0.37808
 26 Pt    0.00000   -0.00023   -0.43463
 27 O    -1.69226    0.01345   -0.71779
 28 O     1.69226    0.01345   -0.71779
 29 O    -0.00000    0.04778   -1.38622
 30 O     0.00000   -0.00471    1.83193
 31 Pt   -0.00000    0.01901    0.51032
 32 Pt    0.00000   -0.14755    0.57090
 33 O    -1.61422   -0.01893    0.07090
 34 O     1.61422   -0.01893    0.07090
 35 O     0.00000   -0.03240   -0.52322
 36 O    -0.00000    0.19994   -0.10522
 37 Pt    0.00000   -0.28033   -0.03664
 38 Pt    0.00000   -0.00462   -0.00929
 39 O     0.00983    0.01166    0.01579
 40 O    -0.00983    0.01166    0.01579
 41 O     0.00000   -0.00526   -0.00001
 42 O    -0.00000    0.02839   -0.01530
 43 Pt    0.00000   -0.00725    0.03906
 44 Pt    0.00000   -0.07425    0.00940
 45 O    -0.13774   -0.32996    0.06307
 46 O     0.13774   -0.32996    0.06307
 47 O     0.00000   -0.02208   -0.04988
 48 O    -0.00000    0.02216    1.17197
 49 Pt    0.00000   -0.02230   -0.37689
 50 Pt   -0.00000    0.02115   -0.43565
 51 O    -1.69141   -0.01397   -0.71819
 52 O     1.69141   -0.01397   -0.71819
 53 O     0.00000   -0.01290   -1.40408
 54 O     0.00000   -0.00195    1.77413
 55 Pt    0.00000   -0.01212    0.51622
 56 Pt   -0.00000    0.12800    0.64813
 57 O    -1.61355    0.01384    0.09271
 58 O     1.61355    0.01384    0.09271
 59 O     0.00000   -0.02117   -0.51478
 60 O     0.00000   -0.19038   -0.10675
 61 Pt   -0.00000    0.01148   -0.08252
 62 Pt   -0.00000    0.01734   -0.00607
 63 O    -0.01408   -0.00722    0.00330
 64 O     0.01408   -0.00722    0.00330
 65 O     0.00000   -0.00083    0.00432
 66 O     0.00000   -0.00973   -0.00180
 67 Pt   -0.00000    0.00774    0.02498
 68 Pt   -0.00000    0.14878    0.01433
 69 O    -0.00905    0.00130   -0.02934
 70 O     0.00905    0.00130   -0.02934
 71 O    -0.00000    0.00753   -0.04719
 72 N     0.00000   -0.02586    0.20180
 73 N     0.00000   -0.13536    0.22108

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    3.407042   24.098441    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.362923   23.734175    ( 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  05:06:18  -4.40   +inf  -414.096825    3      1      
iter:   2  05:08:23  -4.75  -3.42  -414.112290    3      1      
iter:   3  05:10:28  -5.00  -3.27  -414.103338    3      1      
iter:   4  05:12:34  -5.62  -3.43  -414.100273    2      1      
iter:   5  05:14:39  -6.10  -4.62  -414.100083    2      1      
iter:   6  05:16:44  -6.13  -4.68  -414.100099    2      1      
iter:   7  05:18:49  -6.83  -4.76  -414.100140    2      1      
iter:   8  05:20:54  -7.02  -5.09  -414.100147    2      1      
iter:   9  05:22:59  -7.16  -5.05  -414.100139    2      1      
iter:  10  05:25:05  -7.74  -5.32  -414.100124    2      1      

Converged after 10 iterations.

Dipole moment: (-55.962396, -32.584485, 0.068485) |e|*Ang

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

Kinetic:        +19.009573
Potential:     -137.414555
External:        +0.000000
XC:            -305.422686
Entropy (-ST):   -1.564165
Local:          +10.509626
--------------------------
Free energy:   -414.882207
Extrapolated:  -414.100124

Fermi level: -6.47700

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54971    0.14981
  0   340     -6.53164    0.14073
  0   341     -6.53036    0.14007
  0   342     -6.50020    0.12394

  1   339     -6.45230    0.19491
  1   340     -6.40343    0.14397
  1   341     -6.36910    0.11275
  1   342     -6.35596    0.10206



Forces in eV/Ang:
  0 O     0.00000   -0.01728    1.17400
  1 Pt    0.00000   -0.00171   -0.37441
  2 Pt    0.00000   -0.01899   -0.43415
  3 O    -1.68338    0.00022   -0.71849
  4 O     1.68338    0.00022   -0.71849
  5 O     0.00000   -0.01183   -1.38733
  6 O     0.00000   -0.00258    1.76744
  7 Pt   -0.00000    0.01395    0.45071
  8 Pt    0.00000   -0.03957    0.75471
  9 O    -1.58109    0.00046    0.05128
 10 O     1.58109    0.00046    0.05128
 11 O     0.00000   -0.00895   -0.56562
 12 O    -0.00000    0.00810    0.13231
 13 Pt   -0.00000    0.25093   -0.03821
 14 Pt    0.00000   -0.01938    0.00711
 15 O    -0.00080    0.00980    0.00331
 16 O     0.00080    0.00980    0.00331
 17 O     0.00000   -0.00250   -0.93034
 18 O    -0.00000    0.00264    0.02409
 19 Pt    0.00000   -0.02592    0.10892
 20 Pt    0.00000   -0.00092    0.14900
 21 O    -0.20078    0.35729    0.21334
 22 O     0.20078    0.35729    0.21334
 23 O     0.00000   -0.01596   -0.08092
 24 O     0.00000   -0.00103    1.15008
 25 Pt   -0.00000    0.01587   -0.37777
 26 Pt    0.00000   -0.00025   -0.43427
 27 O    -1.69201    0.01344   -0.71771
 28 O     1.69201    0.01344   -0.71771
 29 O    -0.00000    0.04775   -1.38636
 30 O     0.00000   -0.00469    1.83252
 31 Pt   -0.00000    0.01900    0.50999
 32 Pt    0.00000   -0.14743    0.57093
 33 O    -1.61455   -0.01893    0.07034
 34 O     1.61455   -0.01893    0.07034
 35 O     0.00000   -0.03238   -0.52448
 36 O    -0.00000    0.20018   -0.10651
 37 Pt    0.00000   -0.28135   -0.03826
 38 Pt    0.00000   -0.00452   -0.01062
 39 O     0.00966    0.01161    0.01504
 40 O    -0.00966    0.01161    0.01504
 41 O     0.00000   -0.00509   -0.00262
 42 O    -0.00000    0.02854   -0.01592
 43 Pt    0.00000   -0.00720    0.03936
 44 Pt    0.00000   -0.07491    0.00985
 45 O    -0.13864   -0.33096    0.06488
 46 O     0.13864   -0.33096    0.06488
 47 O     0.00000   -0.02222   -0.04951
 48 O    -0.00000    0.02217    1.17204
 49 Pt    0.00000   -0.02231   -0.37660
 50 Pt   -0.00000    0.02116   -0.43530
 51 O    -1.69115   -0.01398   -0.71811
 52 O     1.69115   -0.01398   -0.71811
 53 O     0.00000   -0.01289   -1.40421
 54 O     0.00000   -0.00199    1.77479
 55 Pt    0.00000   -0.01212    0.51592
 56 Pt   -0.00000    0.12788    0.64816
 57 O    -1.61389    0.01383    0.09215
 58 O     1.61389    0.01383    0.09215
 59 O     0.00000   -0.02119   -0.51604
 60 O     0.00000   -0.19058   -0.10794
 61 Pt   -0.00000    0.01157   -0.08442
 62 Pt   -0.00000    0.01732   -0.00735
 63 O    -0.01427   -0.00719    0.00259
 64 O     0.01427   -0.00719    0.00259
 65 O     0.00000   -0.00082    0.00125
 66 O     0.00000   -0.00981   -0.00244
 67 Pt   -0.00000    0.00773    0.02388
 68 Pt   -0.00000    0.14872    0.01348
 69 O    -0.00859    0.00125   -0.02949
 70 O     0.00859    0.00125   -0.02949
 71 O    -0.00000    0.00748   -0.04705
 72 N     0.00000   -0.01182    0.18579
 73 N     0.00000   -0.11051    0.18950

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    3.408346   24.100464    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.363684   23.737915    ( 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  05:38:03  -4.42   +inf  -414.103448    2      1      
iter:   2  05:40:04  -4.51  -3.43  -414.166180    2      1      
iter:   3  05:42:05  -4.71  -2.69  -414.101468    2      1      
iter:   4  05:44:07  -5.59  -4.31  -414.101007    2      1      
iter:   5  05:46:09  -6.06  -4.49  -414.101320    2      1      
iter:   6  05:48:04  -6.19  -4.66  -414.101035    2      1      
iter:   7  05:50:00  -6.59  -4.62  -414.101138    2      1      
iter:   8  05:51:59  -7.03  -5.09  -414.101108    2      1      
iter:   9  05:54:02  -7.26  -4.79  -414.101108    2      1      
iter:  10  05:56:05  -7.55  -4.98  -414.101195    2      1      

Converged after 10 iterations.

Dipole moment: (-55.962387, -32.583662, 0.067596) |e|*Ang

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

Kinetic:        +19.012182
Potential:     -137.422281
External:        +0.000000
XC:            -305.419319
Entropy (-ST):   -1.564035
Local:          +10.510241
--------------------------
Free energy:   -414.883212
Extrapolated:  -414.101195

Fermi level: -6.47773

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55023    0.14971
  0   340     -6.53243    0.14076
  0   341     -6.53116    0.14011
  0   342     -6.50084    0.12389

  1   339     -6.45299    0.19487
  1   340     -6.40423    0.14405
  1   341     -6.36979    0.11272
  1   342     -6.35660    0.10198



Forces in eV/Ang:
  0 O     0.00000   -0.01727    1.17382
  1 Pt    0.00000   -0.00175   -0.37430
  2 Pt    0.00000   -0.01901   -0.43425
  3 O    -1.68334    0.00021   -0.71852
  4 O     1.68334    0.00021   -0.71852
  5 O     0.00000   -0.01186   -1.38724
  6 O     0.00000   -0.00262    1.76789
  7 Pt   -0.00000    0.01395    0.45144
  8 Pt    0.00000   -0.03962    0.75517
  9 O    -1.58086    0.00045    0.05187
 10 O     1.58086    0.00045    0.05187
 11 O     0.00000   -0.00897   -0.56440
 12 O    -0.00000    0.00819    0.13375
 13 Pt   -0.00000    0.25158   -0.03671
 14 Pt    0.00000   -0.01925    0.00843
 15 O    -0.00072    0.00985    0.00409
 16 O     0.00072    0.00985    0.00409
 17 O     0.00000   -0.00190   -0.93227
 18 O    -0.00000    0.00268    0.02496
 19 Pt    0.00000   -0.02559    0.11049
 20 Pt    0.00000   -0.00226    0.14809
 21 O    -0.20127    0.35803    0.21413
 22 O     0.20127    0.35803    0.21413
 23 O     0.00000   -0.01586   -0.08133
 24 O     0.00000   -0.00103    1.14991
 25 Pt   -0.00000    0.01591   -0.37769
 26 Pt    0.00000   -0.00022   -0.43440
 27 O    -1.69196    0.01345   -0.71776
 28 O     1.69196    0.01345   -0.71776
 29 O    -0.00000    0.04772   -1.38635
 30 O     0.00000   -0.00466    1.83290
 31 Pt   -0.00000    0.01900    0.51081
 32 Pt    0.00000   -0.14728    0.57148
 33 O    -1.61430   -0.01894    0.07096
 34 O     1.61430   -0.01894    0.07096
 35 O     0.00000   -0.03238   -0.52329
 36 O    -0.00000    0.20073   -0.10559
 37 Pt    0.00000   -0.28205   -0.03685
 38 Pt    0.00000   -0.00469   -0.00933
 39 O     0.00969    0.01162    0.01583
 40 O    -0.00969    0.01162    0.01583
 41 O     0.00000   -0.00516    0.00074
 42 O    -0.00000    0.02870   -0.01536
 43 Pt    0.00000   -0.00749    0.04118
 44 Pt    0.00000   -0.07503    0.01106
 45 O    -0.13998   -0.33229    0.06794
 46 O     0.13998   -0.33229    0.06794
 47 O     0.00000   -0.02236   -0.04974
 48 O    -0.00000    0.02216    1.17189
 49 Pt    0.00000   -0.02230   -0.37648
 50 Pt   -0.00000    0.02114   -0.43540
 51 O    -1.69112   -0.01398   -0.71814
 52 O     1.69112   -0.01398   -0.71814
 53 O     0.00000   -0.01284   -1.40417
 54 O     0.00000   -0.00197    1.77511
 55 Pt    0.00000   -0.01212    0.51663
 56 Pt   -0.00000    0.12779    0.64862
 57 O    -1.61367    0.01386    0.09269
 58 O     1.61367    0.01386    0.09269
 59 O     0.00000   -0.02116   -0.51486
 60 O     0.00000   -0.19117   -0.10705
 61 Pt   -0.00000    0.01154   -0.08284
 62 Pt   -0.00000    0.01735   -0.00607
 63 O    -0.01417   -0.00726    0.00335
 64 O     0.01417   -0.00726    0.00335
 65 O     0.00000   -0.00083    0.00487
 66 O     0.00000   -0.00999   -0.00187
 67 Pt   -0.00000    0.00771    0.02498
 68 Pt   -0.00000    0.14887    0.01500
 69 O    -0.00912    0.00126   -0.02922
 70 O     0.00912    0.00126   -0.02922
 71 O    -0.00000    0.00758   -0.04722
 72 N     0.00000   -0.01611    0.19384
 73 N     0.00000   -0.11205    0.17343

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    3.409631   24.102760    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.364470   23.741721    ( 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  06:13:36  -4.37   +inf  -414.099675    3      1      
iter:   2  06:15:40  -4.70  -3.53  -414.136438    3      1      
iter:   3  06:17:43  -4.84  -2.88  -414.106067    3      1      
iter:   4  06:19:47  -5.40  -3.52  -414.102255    3      1      
iter:   5  06:21:50  -5.93  -4.43  -414.101988    2      1      
iter:   6  06:23:55  -6.12  -4.74  -414.102098    2      1      
iter:   7  06:25:59  -6.69  -4.70  -414.102040    2      1      
iter:   8  06:28:04  -6.97  -5.15  -414.102048    2      1      
iter:   9  06:30:09  -7.09  -5.05  -414.102088    1      1      
iter:  10  06:32:14  -7.84  -5.02  -414.101989    2      1      

Converged after 10 iterations.

Dipole moment: (-55.962413, -32.582853, 0.067027) |e|*Ang

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

Kinetic:        +19.005480
Potential:     -137.420868
External:        +0.000000
XC:            -305.414717
Entropy (-ST):   -1.564374
Local:          +10.510303
--------------------------
Free energy:   -414.884176
Extrapolated:  -414.101989

Fermi level: -6.47795

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55046    0.14972
  0   340     -6.53263    0.14075
  0   341     -6.53136    0.14010
  0   342     -6.50115    0.12394

  1   339     -6.45335    0.19503
  1   340     -6.40439    0.14398
  1   341     -6.37006    0.11276
  1   342     -6.35691    0.10205



Forces in eV/Ang:
  0 O     0.00000   -0.01729    1.17389
  1 Pt    0.00000   -0.00175   -0.37371
  2 Pt    0.00000   -0.01901   -0.43338
  3 O    -1.68275    0.00021   -0.71833
  4 O     1.68275    0.00021   -0.71833
  5 O     0.00000   -0.01184   -1.38694
  6 O     0.00000   -0.00259    1.77005
  7 Pt   -0.00000    0.01397    0.45190
  8 Pt    0.00000   -0.03957    0.75552
  9 O    -1.58121    0.00047    0.05167
 10 O     1.58121    0.00047    0.05167
 11 O     0.00000   -0.00896   -0.56563
 12 O    -0.00000    0.00817    0.13260
 13 Pt   -0.00000    0.25220   -0.03844
 14 Pt    0.00000   -0.01939    0.00693
 15 O    -0.00106    0.00986    0.00312
 16 O     0.00106    0.00986    0.00312
 17 O     0.00000   -0.00160   -0.93610
 18 O    -0.00000    0.00261    0.02373
 19 Pt    0.00000   -0.02576    0.10929
 20 Pt    0.00000   -0.00296    0.14886
 21 O    -0.20126    0.35854    0.21385
 22 O     0.20126    0.35854    0.21385
 23 O     0.00000   -0.01590   -0.08139
 24 O     0.00000   -0.00102    1.14995
 25 Pt   -0.00000    0.01592   -0.37706
 26 Pt    0.00000   -0.00023   -0.43355
 27 O    -1.69137    0.01345   -0.71756
 28 O     1.69137    0.01345   -0.71756
 29 O    -0.00000    0.04766   -1.38610
 30 O     0.00000   -0.00470    1.83508
 31 Pt   -0.00000    0.01899    0.51121
 32 Pt    0.00000   -0.14721    0.57211
 33 O    -1.61467   -0.01894    0.07073
 34 O     1.61467   -0.01894    0.07073
 35 O     0.00000   -0.03240   -0.52448
 36 O    -0.00000    0.20094   -0.10686
 37 Pt    0.00000   -0.28285   -0.03864
 38 Pt    0.00000   -0.00450   -0.01082
 39 O     0.00941    0.01158    0.01487
 40 O    -0.00941    0.01158    0.01487
 41 O     0.00000   -0.00500   -0.00237
 42 O    -0.00000    0.02874   -0.01647
 43 Pt    0.00000   -0.00733    0.04058
 44 Pt    0.00000   -0.07536    0.00988
 45 O    -0.14079   -0.33325    0.06905
 46 O     0.14079   -0.33325    0.06905
 47 O     0.00000   -0.02227   -0.04980
 48 O    -0.00000    0.02217    1.17190
 49 Pt    0.00000   -0.02231   -0.37591
 50 Pt   -0.00000    0.02115   -0.43459
 51 O    -1.69054   -0.01397   -0.71796
 52 O     1.69054   -0.01397   -0.71796
 53 O     0.00000   -0.01281   -1.40394
 54 O     0.00000   -0.00197    1.77726
 55 Pt    0.00000   -0.01212    0.51712
 56 Pt   -0.00000    0.12769    0.64930
 57 O    -1.61402    0.01384    0.09248
 58 O     1.61402    0.01384    0.09248
 59 O     0.00000   -0.02117   -0.51605
 60 O     0.00000   -0.19134   -0.10821
 61 Pt   -0.00000    0.01163   -0.08489
 62 Pt   -0.00000    0.01731   -0.00748
 63 O    -0.01455   -0.00724    0.00243
 64 O     0.01455   -0.00724    0.00243
 65 O     0.00000   -0.00083    0.00112
 66 O     0.00000   -0.00995   -0.00297
 67 Pt   -0.00000    0.00775    0.02357
 68 Pt   -0.00000    0.14889    0.01346
 69 O    -0.00861    0.00118   -0.02955
 70 O     0.00861    0.00118   -0.02955
 71 O    -0.00000    0.00750   -0.04735
 72 N     0.00000   -0.00208    0.19148
 73 N     0.00000   -0.09591    0.13429

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    3.410905   24.105627    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.365424   23.745539    ( 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  06:49:21  -4.32   +inf  -414.107551    3      1      
iter:   2  06:51:25  -4.67  -3.50  -414.135101    3      1      
iter:   3  06:53:28  -4.85  -2.84  -414.101206    3      1      
iter:   4  06:55:31  -5.38  -3.65  -414.103348    3      1      
iter:   5  06:57:33  -6.06  -4.40  -414.103112    2      1      
iter:   6  06:59:36  -6.09  -4.65  -414.103060    2      1      
iter:   7  07:01:38  -6.69  -4.55  -414.103166    2      1      
iter:   8  07:03:40  -6.98  -5.04  -414.103150    2      1      
iter:   9  07:05:42  -7.23  -5.06  -414.103157    2      1      
iter:  10  07:07:44  -7.26  -4.90  -414.103118    2      1      
iter:  11  07:09:46  -7.93  -5.23  -414.103084    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962417, -32.582119, 0.066458) |e|*Ang

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

Kinetic:        +18.995931
Potential:     -137.417291
External:        +0.000000
XC:            -305.409780
Entropy (-ST):   -1.564331
Local:          +10.510220
--------------------------
Free energy:   -414.885250
Extrapolated:  -414.103084

Fermi level: -6.47850

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55095    0.14969
  0   340     -6.53316    0.14075
  0   341     -6.53190    0.14009
  0   342     -6.50170    0.12394

  1   339     -6.45383    0.19495
  1   340     -6.40494    0.14398
  1   341     -6.37059    0.11274
  1   342     -6.35741    0.10202



Forces in eV/Ang:
  0 O     0.00000   -0.01728    1.17382
  1 Pt    0.00000   -0.00179   -0.37439
  2 Pt    0.00000   -0.01901   -0.43392
  3 O    -1.68299    0.00021   -0.71873
  4 O     1.68299    0.00021   -0.71873
  5 O     0.00000   -0.01182   -1.38789
  6 O     0.00000   -0.00256    1.76834
  7 Pt   -0.00000    0.01396    0.45109
  8 Pt    0.00000   -0.03956    0.75491
  9 O    -1.58104    0.00047    0.05112
 10 O     1.58104    0.00047    0.05112
 11 O     0.00000   -0.00893   -0.56566
 12 O    -0.00000    0.00817    0.13292
 13 Pt   -0.00000    0.25288   -0.03801
 14 Pt    0.00000   -0.01940    0.00721
 15 O    -0.00096    0.00982    0.00346
 16 O     0.00096    0.00982    0.00346
 17 O     0.00000   -0.00127   -0.93771
 18 O    -0.00000    0.00262    0.02461
 19 Pt    0.00000   -0.02575    0.11033
 20 Pt    0.00000   -0.00388    0.14980
 21 O    -0.20159    0.35916    0.21433
 22 O     0.20159    0.35916    0.21433
 23 O     0.00000   -0.01595   -0.08134
 24 O     0.00000   -0.00102    1.14990
 25 Pt   -0.00000    0.01595   -0.37773
 26 Pt    0.00000   -0.00023   -0.43407
 27 O    -1.69161    0.01343   -0.71797
 28 O     1.69161    0.01343   -0.71797
 29 O    -0.00000    0.04762   -1.38710
 30 O     0.00000   -0.00471    1.83343
 31 Pt   -0.00000    0.01900    0.51039
 32 Pt    0.00000   -0.14711    0.57166
 33 O    -1.61449   -0.01892    0.07017
 34 O     1.61449   -0.01892    0.07017
 35 O     0.00000   -0.03241   -0.52450
 36 O    -0.00000    0.20136   -0.10693
 37 Pt    0.00000   -0.28367   -0.03824
 38 Pt    0.00000   -0.00450   -0.01058
 39 O     0.00952    0.01161    0.01522
 40 O    -0.00952    0.01161    0.01522
 41 O     0.00000   -0.00499   -0.00125
 42 O    -0.00000    0.02877   -0.01560
 43 Pt    0.00000   -0.00733    0.04188
 44 Pt    0.00000   -0.07542    0.01014
 45 O    -0.14178   -0.33434    0.07091
 46 O     0.14178   -0.33434    0.07091
 47 O     0.00000   -0.02229   -0.04980
 48 O    -0.00000    0.02216    1.17186
 49 Pt    0.00000   -0.02231   -0.37656
 50 Pt   -0.00000    0.02116   -0.43513
 51 O    -1.69077   -0.01396   -0.71836
 52 O     1.69077   -0.01396   -0.71836
 53 O     0.00000   -0.01279   -1.40495
 54 O     0.00000   -0.00198    1.77564
 55 Pt    0.00000   -0.01213    0.51630
 56 Pt   -0.00000    0.12758    0.64879
 57 O    -1.61386    0.01382    0.09192
 58 O     1.61386    0.01382    0.09192
 59 O     0.00000   -0.02117   -0.51602
 60 O     0.00000   -0.19175   -0.10819
 61 Pt   -0.00000    0.01168   -0.08472
 62 Pt   -0.00000    0.01731   -0.00722
 63 O    -0.01448   -0.00722    0.00277
 64 O     0.01448   -0.00722    0.00277
 65 O     0.00000   -0.00079    0.00216
 66 O     0.00000   -0.00999   -0.00215
 67 Pt   -0.00000    0.00777    0.02423
 68 Pt   -0.00000    0.14901    0.01416
 69 O    -0.00873    0.00116   -0.02937
 70 O     0.00873    0.00116   -0.02937
 71 O    -0.00000    0.00755   -0.04726
 72 N    -0.00000    0.00201    0.20972
 73 N     0.00000   -0.08859    0.13225

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    3.412288   24.109134    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.366565   23.749650    ( 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  07:23:05  -4.24   +inf  -414.105744    3      1      
iter:   2  07:25:09  -4.95  -3.77  -414.115665    3      1      
iter:   3  07:27:13  -5.27  -3.07  -414.103576    2      1      
iter:   4  07:29:17  -5.86  -4.10  -414.104739    3      1      
iter:   5  07:31:19  -6.12  -4.41  -414.104460    2      1      
iter:   6  07:33:23  -6.18  -4.81  -414.104501    2      1      
iter:   7  07:35:25  -6.79  -4.77  -414.104526    2      1      
iter:   8  07:37:28  -7.06  -4.82  -414.104521    2      1      
iter:   9  07:39:31  -7.25  -4.89  -414.104502    2      1      
iter:  10  07:41:35  -7.33  -5.06  -414.104516    2      1      
iter:  11  07:43:40  -7.90  -5.31  -414.104453    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962430, -32.581378, 0.065950) |e|*Ang

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

Kinetic:        +18.979965
Potential:     -137.409539
External:        +0.000000
XC:            -305.402771
Entropy (-ST):   -1.564373
Local:          +10.510078
--------------------------
Free energy:   -414.886639
Extrapolated:  -414.104453

Fermi level: -6.47904

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55149    0.14969
  0   340     -6.53364    0.14072
  0   341     -6.53238    0.14006
  0   342     -6.50228    0.12397

  1   339     -6.45432    0.19490
  1   340     -6.40543    0.14394
  1   341     -6.37111    0.11273
  1   342     -6.35795    0.10202



Forces in eV/Ang:
  0 O     0.00000   -0.01729    1.17391
  1 Pt    0.00000   -0.00180   -0.37439
  2 Pt    0.00000   -0.01900   -0.43390
  3 O    -1.68324    0.00022   -0.71864
  4 O     1.68324    0.00022   -0.71864
  5 O     0.00000   -0.01180   -1.38752
  6 O     0.00000   -0.00255    1.76750
  7 Pt   -0.00000    0.01395    0.45075
  8 Pt    0.00000   -0.03957    0.75453
  9 O    -1.58109    0.00047    0.05114
 10 O     1.58109    0.00047    0.05114
 11 O     0.00000   -0.00893   -0.56578
 12 O    -0.00000    0.00816    0.13288
 13 Pt   -0.00000    0.25353   -0.03837
 14 Pt    0.00000   -0.01949    0.00704
 15 O    -0.00090    0.00981    0.00336
 16 O     0.00090    0.00981    0.00336
 17 O     0.00000   -0.00098   -0.94083
 18 O    -0.00000    0.00255    0.02440
 19 Pt    0.00000   -0.02576    0.11041
 20 Pt    0.00000   -0.00443    0.15029
 21 O    -0.20179    0.35980    0.21458
 22 O     0.20179    0.35980    0.21458
 23 O     0.00000   -0.01592   -0.08140
 24 O     0.00000   -0.00102    1.14998
 25 Pt   -0.00000    0.01598   -0.37770
 26 Pt    0.00000   -0.00024   -0.43406
 27 O    -1.69187    0.01343   -0.71787
 28 O     1.69187    0.01343   -0.71787
 29 O    -0.00000    0.04758   -1.38679
 30 O     0.00000   -0.00471    1.83260
 31 Pt   -0.00000    0.01901    0.51000
 32 Pt    0.00000   -0.14698    0.57146
 33 O    -1.61454   -0.01892    0.07017
 34 O     1.61454   -0.01892    0.07017
 35 O     0.00000   -0.03240   -0.52465
 36 O    -0.00000    0.20176   -0.10737
 37 Pt    0.00000   -0.28444   -0.03863
 38 Pt    0.00000   -0.00443   -0.01078
 39 O     0.00962    0.01159    0.01512
 40 O    -0.00962    0.01159    0.01512
 41 O     0.00000   -0.00496   -0.00217
 42 O    -0.00000    0.02886   -0.01579
 43 Pt    0.00000   -0.00730    0.04267
 44 Pt    0.00000   -0.07569    0.01045
 45 O    -0.14302   -0.33545    0.07336
 46 O     0.14302   -0.33545    0.07336
 47 O     0.00000   -0.02231   -0.04981
 48 O    -0.00000    0.02217    1.17193
 49 Pt    0.00000   -0.02232   -0.37655
 50 Pt   -0.00000    0.02116   -0.43512
 51 O    -1.69102   -0.01397   -0.71826
 52 O     1.69102   -0.01397   -0.71826
 53 O     0.00000   -0.01276   -1.40462
 54 O     0.00000   -0.00199    1.77487
 55 Pt    0.00000   -0.01213    0.51596
 56 Pt   -0.00000    0.12746    0.64862
 57 O    -1.61392    0.01381    0.09191
 58 O     1.61392    0.01381    0.09191
 59 O     0.00000   -0.02119   -0.51613
 60 O     0.00000   -0.19212   -0.10849
 61 Pt   -0.00000    0.01174   -0.08528
 62 Pt   -0.00000    0.01733   -0.00744
 63 O    -0.01447   -0.00718    0.00267
 64 O     0.01447   -0.00718    0.00267
 65 O     0.00000   -0.00072    0.00075
 66 O     0.00000   -0.01000   -0.00238
 67 Pt   -0.00000    0.00775    0.02405
 68 Pt   -0.00000    0.14910    0.01401
 69 O    -0.00856    0.00106   -0.02944
 70 O     0.00856    0.00106   -0.02944
 71 O    -0.00000    0.00751   -0.04731
 72 N     0.00000   -0.00751    0.23240
 73 N     0.00000   -0.08444    0.15781

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    3.413817   24.113305    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.367875   23.754674    ( 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  08:00:23  -4.07   +inf  -414.110141    3      1      
iter:   2  08:02:28  -4.46  -3.42  -414.165954    3      1      
iter:   3  08:04:33  -4.72  -2.70  -414.105756    3      1      
iter:   4  08:06:37  -5.50  -3.90  -414.106771    3      1      
iter:   5  08:08:42  -6.05  -4.33  -414.106260    2      1      
iter:   6  08:10:45  -6.05  -4.64  -414.106359    2      1      
iter:   7  08:12:49  -6.56  -4.73  -414.106458    2      1      
iter:   8  08:14:53  -6.69  -4.83  -414.106364    2      1      
iter:   9  08:16:57  -6.91  -5.01  -414.106373    2      1      
iter:  10  08:19:03  -7.49  -5.24  -414.106365    2      1      

Converged after 10 iterations.

Dipole moment: (-55.962427, -32.580500, 0.065168) |e|*Ang

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

Kinetic:        +18.981457
Potential:     -137.417237
External:        +0.000000
XC:            -305.398300
Entropy (-ST):   -1.564360
Local:          +10.509894
--------------------------
Free energy:   -414.888545
Extrapolated:  -414.106365

Fermi level: -6.47970

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55202    0.14963
  0   340     -6.53433    0.14073
  0   341     -6.53307    0.14008
  0   342     -6.50293    0.12396

  1   339     -6.45493    0.19484
  1   340     -6.40611    0.14396
  1   341     -6.37175    0.11271
  1   342     -6.35856    0.10198



Forces in eV/Ang:
  0 O     0.00000   -0.01728    1.17392
  1 Pt    0.00000   -0.00182   -0.37431
  2 Pt    0.00000   -0.01899   -0.43391
  3 O    -1.68318    0.00023   -0.71863
  4 O     1.68318    0.00023   -0.71863
  5 O     0.00000   -0.01182   -1.38739
  6 O     0.00000   -0.00260    1.76791
  7 Pt   -0.00000    0.01395    0.45123
  8 Pt    0.00000   -0.03965    0.75484
  9 O    -1.58107    0.00044    0.05159
 10 O     1.58107    0.00044    0.05159
 11 O     0.00000   -0.00895   -0.56490
 12 O    -0.00000    0.00816    0.13388
 13 Pt   -0.00000    0.25437   -0.03785
 14 Pt    0.00000   -0.01940    0.00767
 15 O    -0.00085    0.00986    0.00385
 16 O     0.00085    0.00986    0.00385
 17 O     0.00000   -0.00052   -0.94382
 18 O    -0.00000    0.00259    0.02507
 19 Pt    0.00000   -0.02552    0.11121
 20 Pt    0.00000   -0.00522    0.15142
 21 O    -0.20204    0.36053    0.21522
 22 O     0.20204    0.36053    0.21522
 23 O     0.00000   -0.01581   -0.08200
 24 O     0.00000   -0.00103    1.14999
 25 Pt   -0.00000    0.01601   -0.37767
 26 Pt    0.00000   -0.00025   -0.43408
 27 O    -1.69182    0.01344   -0.71786
 28 O     1.69182    0.01344   -0.71786
 29 O    -0.00000    0.04754   -1.38670
 30 O     0.00000   -0.00466    1.83299
 31 Pt   -0.00000    0.01901    0.51053
 32 Pt    0.00000   -0.14676    0.57192
 33 O    -1.61449   -0.01892    0.07065
 34 O     1.61449   -0.01892    0.07065
 35 O     0.00000   -0.03238   -0.52380
 36 O    -0.00000    0.20228   -0.10682
 37 Pt    0.00000   -0.28530   -0.03818
 38 Pt    0.00000   -0.00452   -0.01014
 39 O     0.00964    0.01158    0.01565
 40 O    -0.00964    0.01158    0.01565
 41 O     0.00000   -0.00493   -0.00104
 42 O    -0.00000    0.02901   -0.01531
 43 Pt    0.00000   -0.00751    0.04409
 44 Pt    0.00000   -0.07595    0.01128
 45 O    -0.14443   -0.33684    0.07697
 46 O     0.14443   -0.33684    0.07697
 47 O     0.00000   -0.02241   -0.05023
 48 O    -0.00000    0.02217    1.17193
 49 Pt    0.00000   -0.02233   -0.37648
 50 Pt   -0.00000    0.02115   -0.43511
 51 O    -1.69097   -0.01398   -0.71824
 52 O     1.69097   -0.01398   -0.71824
 53 O     0.00000   -0.01272   -1.40450
 54 O     0.00000   -0.00200    1.77535
 55 Pt    0.00000   -0.01211    0.51644
 56 Pt   -0.00000    0.12734    0.64901
 57 O    -1.61392    0.01385    0.09234
 58 O     1.61392    0.01385    0.09234
 59 O     0.00000   -0.02118   -0.51529
 60 O     0.00000   -0.19261   -0.10799
 61 Pt   -0.00000    0.01171   -0.08476
 62 Pt   -0.00000    0.01734   -0.00680
 63 O    -0.01440   -0.00723    0.00317
 64 O     0.01440   -0.00723    0.00317
 65 O     0.00000   -0.00074    0.00226
 66 O     0.00000   -0.01018   -0.00187
 67 Pt   -0.00000    0.00773    0.02432
 68 Pt   -0.00000    0.14918    0.01464
 69 O    -0.00868    0.00104   -0.02929
 70 O     0.00868    0.00104   -0.02929
 71 O    -0.00000    0.00756   -0.04774
 72 N     0.00000   -0.00527    0.25071
 73 N     0.00000   -0.09366    0.17536

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    3.415413   24.118208    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.369207   23.760500    ( 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  08:35:08  -3.95   +inf  -414.109079    2      1      
iter:   2  08:37:10  -4.75  -3.76  -414.119462    2      1      
iter:   3  08:39:09  -5.11  -3.06  -414.109027    2      1      
iter:   4  08:41:06  -5.79  -4.22  -414.108452    2      1      
iter:   5  08:43:03  -5.91  -4.33  -414.109041    2      1      
iter:   6  08:45:06  -6.04  -4.47  -414.108697    2      1      
iter:   7  08:47:09  -6.58  -4.68  -414.108762    2      1      
iter:   8  08:49:12  -6.65  -4.71  -414.108675    2      1      
iter:   9  08:51:14  -6.76  -4.41  -414.108729    2      1      
iter:  10  08:53:17  -7.48  -4.91  -414.108734    2      1      

Converged after 10 iterations.

Dipole moment: (-55.962449, -32.579500, 0.064260) |e|*Ang

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

Kinetic:        +18.972474
Potential:     -137.416701
External:        +0.000000
XC:            -305.391764
Entropy (-ST):   -1.564342
Local:          +10.509428
--------------------------
Free energy:   -414.890905
Extrapolated:  -414.108734

Fermi level: -6.48049

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55265    0.14955
  0   340     -6.53512    0.14073
  0   341     -6.53387    0.14009
  0   342     -6.50370    0.12395

  1   339     -6.45569    0.19481
  1   340     -6.40691    0.14397
  1   341     -6.37250    0.11268
  1   342     -6.35931    0.10195



Forces in eV/Ang:
  0 O     0.00000   -0.01729    1.17394
  1 Pt    0.00000   -0.00184   -0.37436
  2 Pt    0.00000   -0.01901   -0.43397
  3 O    -1.68330    0.00022   -0.71852
  4 O     1.68330    0.00022   -0.71852
  5 O     0.00000   -0.01182   -1.38717
  6 O     0.00000   -0.00262    1.76779
  7 Pt   -0.00000    0.01393    0.45119
  8 Pt    0.00000   -0.03967    0.75468
  9 O    -1.58099    0.00045    0.05156
 10 O     1.58099    0.00045    0.05156
 11 O     0.00000   -0.00897   -0.56504
 12 O    -0.00000    0.00817    0.13383
 13 Pt   -0.00000    0.25524   -0.03765
 14 Pt    0.00000   -0.01945    0.00780
 15 O    -0.00078    0.00988    0.00372
 16 O     0.00078    0.00988    0.00372
 17 O     0.00000   -0.00005   -0.94712
 18 O    -0.00000    0.00256    0.02466
 19 Pt    0.00000   -0.02544    0.11186
 20 Pt    0.00000   -0.00611    0.15231
 21 O    -0.20254    0.36141    0.21559
 22 O     0.20254    0.36141    0.21559
 23 O     0.00000   -0.01581   -0.08223
 24 O     0.00000   -0.00102    1.15000
 25 Pt   -0.00000    0.01604   -0.37771
 26 Pt    0.00000   -0.00023   -0.43416
 27 O    -1.69192    0.01343   -0.71776
 28 O     1.69192    0.01343   -0.71776
 29 O    -0.00000    0.04750   -1.38659
 30 O     0.00000   -0.00466    1.83289
 31 Pt   -0.00000    0.01901    0.51054
 32 Pt    0.00000   -0.14660    0.57203
 33 O    -1.61440   -0.01893    0.07060
 34 O     1.61440   -0.01893    0.07060
 35 O     0.00000   -0.03237   -0.52392
 36 O    -0.00000    0.20289   -0.10740
 37 Pt    0.00000   -0.28630   -0.03808
 38 Pt    0.00000   -0.00446   -0.01007
 39 O     0.00973    0.01158    0.01551
 40 O    -0.00973    0.01158    0.01551
 41 O     0.00000   -0.00484   -0.00018
 42 O    -0.00000    0.02909   -0.01581
 43 Pt    0.00000   -0.00759    0.04563
 44 Pt    0.00000   -0.07634    0.01179
 45 O    -0.14633   -0.33847    0.08054
 46 O     0.14633   -0.33847    0.08054
 47 O     0.00000   -0.02253   -0.05044
 48 O    -0.00000    0.02218    1.17197
 49 Pt    0.00000   -0.02233   -0.37653
 50 Pt   -0.00000    0.02115   -0.43518
 51 O    -1.69109   -0.01397   -0.71813
 52 O     1.69109   -0.01397   -0.71813
 53 O     0.00000   -0.01267   -1.40434
 54 O     0.00000   -0.00198    1.77521
 55 Pt    0.00000   -0.01211    0.51643
 56 Pt   -0.00000    0.12721    0.64909
 57 O    -1.61382    0.01385    0.09228
 58 O     1.61382    0.01385    0.09228
 59 O     0.00000   -0.02118   -0.51538
 60 O     0.00000   -0.19319   -0.10842
 61 Pt   -0.00000    0.01177   -0.08482
 62 Pt   -0.00000    0.01733   -0.00671
 63 O    -0.01437   -0.00724    0.00301
 64 O     0.01437   -0.00724    0.00301
 65 O     0.00000   -0.00074    0.00281
 66 O     0.00000   -0.01022   -0.00238
 67 Pt   -0.00000    0.00774    0.02455
 68 Pt   -0.00000    0.14940    0.01477
 69 O    -0.00884    0.00097   -0.02930
 70 O     0.00884    0.00097   -0.02930
 71 O    -0.00000    0.00758   -0.04797
 72 N     0.00000   -0.01610    0.24831
 73 N     0.00000   -0.09171    0.17240

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    3.416972   24.123263    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.370431   23.766434    ( 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  09:11:03  -3.93   +inf  -414.109412    2      1      
iter:   2  09:13:05  -4.83  -3.88  -414.114029    3      1      
iter:   3  09:15:06  -5.37  -3.74  -414.111481    3      1      
iter:   4  09:17:09  -5.92  -3.81  -414.111175    2      1      
iter:   5  09:19:13  -5.99  -4.16  -414.111053    2      1      
iter:   6  09:21:16  -6.00  -4.72  -414.111014    2      1      
iter:   7  09:23:20  -6.51  -4.78  -414.111061    2      1      
iter:   8  09:25:24  -6.51  -4.73  -414.110867    2      1      
iter:   9  09:27:29  -7.15  -4.84  -414.111044    2      1      
iter:  10  09:29:33  -7.62  -5.15  -414.110980    2      1      

Converged after 10 iterations.

Dipole moment: (-55.962472, -32.578503, 0.063220) |e|*Ang

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

Kinetic:        +18.950578
Potential:     -137.405866
External:        +0.000000
XC:            -305.382320
Entropy (-ST):   -1.564479
Local:          +10.508867
--------------------------
Free energy:   -414.893220
Extrapolated:  -414.110980

Fermi level: -6.48111

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55310    0.14946
  0   340     -6.53579    0.14076
  0   341     -6.53456    0.14012
  0   342     -6.50432    0.12395

  1   339     -6.45639    0.19490
  1   340     -6.40755    0.14399
  1   341     -6.37312    0.11268
  1   342     -6.36015    0.10212



Forces in eV/Ang:
  0 O     0.00000   -0.01729    1.17393
  1 Pt    0.00000   -0.00189   -0.37392
  2 Pt    0.00000   -0.01901   -0.43357
  3 O    -1.68274    0.00022   -0.71853
  4 O     1.68274    0.00022   -0.71853
  5 O     0.00000   -0.01181   -1.38742
  6 O     0.00000   -0.00264    1.76974
  7 Pt   -0.00000    0.01396    0.45168
  8 Pt    0.00000   -0.03971    0.75514
  9 O    -1.58106    0.00043    0.05151
 10 O     1.58106    0.00043    0.05151
 11 O     0.00000   -0.00898   -0.56548
 12 O    -0.00000    0.00819    0.13366
 13 Pt   -0.00000    0.25617   -0.03800
 14 Pt    0.00000   -0.01937    0.00766
 15 O    -0.00088    0.00995    0.00351
 16 O     0.00088    0.00995    0.00351
 17 O     0.00000    0.00046   -0.95106
 18 O    -0.00000    0.00254    0.02457
 19 Pt    0.00000   -0.02519    0.11199
 20 Pt    0.00000   -0.00706    0.15315
 21 O    -0.20280    0.36223    0.21604
 22 O     0.20280    0.36223    0.21604
 23 O     0.00000   -0.01568   -0.08235
 24 O     0.00000   -0.00102    1.14999
 25 Pt   -0.00000    0.01608   -0.37727
 26 Pt    0.00000   -0.00022   -0.43376
 27 O    -1.69136    0.01343   -0.71778
 28 O     1.69136    0.01343   -0.71778
 29 O    -0.00000    0.04743   -1.38691
 30 O     0.00000   -0.00463    1.83483
 31 Pt   -0.00000    0.01899    0.51107
 32 Pt    0.00000   -0.14641    0.57270
 33 O    -1.61445   -0.01894    0.07057
 34 O     1.61445   -0.01894    0.07057
 35 O     0.00000   -0.03238   -0.52436
 36 O    -0.00000    0.20338   -0.10798
 37 Pt    0.00000   -0.28728   -0.03859
 38 Pt    0.00000   -0.00453   -0.01018
 39 O     0.00961    0.01156    0.01534
 40 O    -0.00961    0.01156    0.01534
 41 O     0.00000   -0.00481    0.00019
 42 O    -0.00000    0.02937   -0.01614
 43 Pt    0.00000   -0.00782    0.04679
 44 Pt    0.00000   -0.07658    0.01241
 45 O    -0.14795   -0.34004    0.08424
 46 O     0.14795   -0.34004    0.08424
 47 O     0.00000   -0.02264   -0.05049
 48 O    -0.00000    0.02218    1.17196
 49 Pt    0.00000   -0.02232   -0.37609
 50 Pt   -0.00000    0.02115   -0.43481
 51 O    -1.69053   -0.01396   -0.71815
 52 O     1.69053   -0.01396   -0.71815
 53 O     0.00000   -0.01263   -1.40462
 54 O     0.00000   -0.00198    1.77716
 55 Pt    0.00000   -0.01211    0.51690
 56 Pt   -0.00000    0.12708    0.64964
 57 O    -1.61391    0.01387    0.09219
 58 O     1.61391    0.01387    0.09219
 59 O     0.00000   -0.02116   -0.51585
 60 O     0.00000   -0.19368   -0.10901
 61 Pt   -0.00000    0.01173   -0.08526
 62 Pt   -0.00000    0.01732   -0.00685
 63 O    -0.01446   -0.00730    0.00282
 64 O     0.01446   -0.00730    0.00282
 65 O     0.00000   -0.00075    0.00335
 66 O     0.00000   -0.01046   -0.00270
 67 Pt   -0.00000    0.00774    0.02414
 68 Pt   -0.00000    0.14941    0.01480
 69 O    -0.00889    0.00091   -0.02925
 70 O     0.00889    0.00091   -0.02925
 71 O    -0.00000    0.00758   -0.04808
 72 N     0.00000   -0.03370    0.22843
 73 N     0.00000   -0.06256    0.17192

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    3.418370   24.128877    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.371716   23.772894    ( 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  09:44:49  -3.85   +inf  -414.118757    3      1      
iter:   2  09:46:53  -4.14  -3.25  -414.270566    3      1      
iter:   3  09:48:56  -4.45  -2.51  -414.112749    2      1      
iter:   4  09:50:59  -5.16  -3.89  -414.114055    3      1      
iter:   5  09:53:02  -5.64  -4.21  -414.113396    2      1      
iter:   6  09:55:04  -5.64  -4.52  -414.113395    2      1      
iter:   7  09:57:06  -6.20  -4.34  -414.113532    2      1      
iter:   8  09:59:07  -6.41  -4.91  -414.113492    2      1      
iter:   9  10:01:09  -6.67  -4.98  -414.113524    2      1      
iter:  10  10:03:11  -7.25  -4.82  -414.113528    2      1      
iter:  11  10:05:11  -7.80  -5.15  -414.113475    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962480, -32.577428, 0.062273) |e|*Ang

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

Kinetic:        +18.975416
Potential:     -137.435148
External:        +0.000000
XC:            -305.380203
Entropy (-ST):   -1.564557
Local:          +10.508738
--------------------------
Free energy:   -414.895754
Extrapolated:  -414.113475

Fermi level: -6.48186

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55377    0.14942
  0   340     -6.53651    0.14074
  0   341     -6.53529    0.14011
  0   342     -6.50511    0.12397

  1   339     -6.45714    0.19490
  1   340     -6.40828    0.14397
  1   341     -6.37385    0.11266
  1   342     -6.36112    0.10230



Forces in eV/Ang:
  0 O     0.00000   -0.01731    1.17396
  1 Pt    0.00000   -0.00190   -0.37434
  2 Pt    0.00000   -0.01903   -0.43367
  3 O    -1.68284    0.00021   -0.71881
  4 O     1.68284    0.00021   -0.71881
  5 O     0.00000   -0.01180   -1.38805
  6 O     0.00000   -0.00260    1.76877
  7 Pt   -0.00000    0.01398    0.45087
  8 Pt    0.00000   -0.03968    0.75445
  9 O    -1.58113    0.00049    0.05079
 10 O     1.58113    0.00049    0.05079
 11 O     0.00000   -0.00895   -0.56643
 12 O    -0.00000    0.00823    0.13271
 13 Pt   -0.00000    0.25698   -0.03881
 14 Pt    0.00000   -0.01945    0.00697
 15 O    -0.00103    0.00996    0.00301
 16 O     0.00103    0.00996    0.00301
 17 O     0.00000    0.00089   -0.95445
 18 O    -0.00000    0.00249    0.02419
 19 Pt    0.00000   -0.02530    0.11221
 20 Pt    0.00000   -0.00873    0.15187
 21 O    -0.20333    0.36326    0.21632
 22 O     0.20333    0.36326    0.21632
 23 O     0.00000   -0.01586   -0.08284
 24 O     0.00000   -0.00100    1.15001
 25 Pt   -0.00000    0.01610   -0.37765
 26 Pt    0.00000   -0.00021   -0.43388
 27 O    -1.69146    0.01342   -0.71806
 28 O     1.69146    0.01342   -0.71806
 29 O    -0.00000    0.04738   -1.38766
 30 O     0.00000   -0.00467    1.83389
 31 Pt   -0.00000    0.01900    0.51021
 32 Pt    0.00000   -0.14630    0.57236
 33 O    -1.61454   -0.01893    0.06985
 34 O     1.61454   -0.01893    0.06985
 35 O     0.00000   -0.03240   -0.52523
 36 O    -0.00000    0.20390   -0.10933
 37 Pt    0.00000   -0.28829   -0.03954
 38 Pt    0.00000   -0.00441   -0.01094
 39 O     0.00949    0.01157    0.01481
 40 O    -0.00949    0.01157    0.01481
 41 O     0.00000   -0.00468   -0.00047
 42 O    -0.00000    0.02940   -0.01650
 43 Pt    0.00000   -0.00775    0.04734
 44 Pt    0.00000   -0.07637    0.01081
 45 O    -0.14975   -0.34177    0.08683
 46 O     0.14975   -0.34177    0.08683
 47 O     0.00000   -0.02241   -0.05079
 48 O    -0.00000    0.02218    1.17196
 49 Pt    0.00000   -0.02234   -0.37653
 50 Pt   -0.00000    0.02115   -0.43499
 51 O    -1.69065   -0.01395   -0.71843
 52 O     1.69065   -0.01395   -0.71843
 53 O     0.00000   -0.01260   -1.40540
 54 O     0.00000   -0.00198    1.77610
 55 Pt    0.00000   -0.01214    0.51612
 56 Pt   -0.00000    0.12694    0.64928
 57 O    -1.61397    0.01381    0.09145
 58 O     1.61397    0.01381    0.09145
 59 O     0.00000   -0.02117   -0.51682
 60 O     0.00000   -0.19421   -0.11021
 61 Pt   -0.00000    0.01184   -0.08644
 62 Pt   -0.00000    0.01727   -0.00748
 63 O    -0.01468   -0.00731    0.00232
 64 O     0.01468   -0.00731    0.00232
 65 O     0.00000   -0.00072    0.00227
 66 O     0.00000   -0.01041   -0.00303
 67 Pt   -0.00000    0.00781    0.02405
 68 Pt   -0.00000    0.14954    0.01437
 69 O    -0.00895    0.00080   -0.02942
 70 O     0.00895    0.00080   -0.02942
 71 O    -0.00000    0.00752   -0.04827
 72 N     0.00000   -0.00711    0.24003
 73 N     0.00000   -0.08253    0.15456

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    3.419820   24.134882    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.372913   23.779509    ( 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  10:20:23  -3.82   +inf  -414.121362    3      1      
iter:   2  10:22:29  -4.15  -3.27  -414.260126    3      1      
iter:   3  10:24:34  -4.43  -2.53  -414.115092    2      1      
iter:   4  10:26:38  -5.13  -3.86  -414.116641    3      1      
iter:   5  10:28:44  -5.65  -4.22  -414.116030    2      1      
iter:   6  10:30:49  -5.64  -4.51  -414.116030    2      1      
iter:   7  10:32:53  -6.20  -4.42  -414.116159    2      1      
iter:   8  10:34:58  -6.31  -4.79  -414.116084    2      1      
iter:   9  10:37:03  -6.82  -4.52  -414.116134    2      1      
iter:  10  10:39:08  -7.07  -4.56  -414.116196    2      1      
iter:  11  10:41:14  -7.39  -4.86  -414.116044    2      1      
iter:  12  10:43:18  -7.83  -5.10  -414.116123    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962501, -32.576391, 0.061485) |e|*Ang

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

Kinetic:        +18.942692
Potential:     -137.415799
External:        +0.000000
XC:            -305.369439
Entropy (-ST):   -1.564491
Local:          +10.508669
--------------------------
Free energy:   -414.898368
Extrapolated:  -414.116123

Fermi level: -6.48278

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55462    0.14939
  0   340     -6.53740    0.14072
  0   341     -6.53617    0.14009
  0   342     -6.50606    0.12399

  1   339     -6.45791    0.19474
  1   340     -6.40918    0.14395
  1   341     -6.37473    0.11263
  1   342     -6.36226    0.10247



Forces in eV/Ang:
  0 O     0.00000   -0.01731    1.17397
  1 Pt    0.00000   -0.00193   -0.37487
  2 Pt    0.00000   -0.01901   -0.43412
  3 O    -1.68322    0.00022   -0.71884
  4 O     1.68322    0.00022   -0.71884
  5 O     0.00000   -0.01176   -1.38783
  6 O     0.00000   -0.00256    1.76735
  7 Pt   -0.00000    0.01396    0.45044
  8 Pt    0.00000   -0.03968    0.75401
  9 O    -1.58093    0.00047    0.05087
 10 O     1.58093    0.00047    0.05087
 11 O     0.00000   -0.00893   -0.56635
 12 O    -0.00000    0.00820    0.13315
 13 Pt   -0.00000    0.25804   -0.03843
 14 Pt    0.00000   -0.01953    0.00752
 15 O    -0.00075    0.00991    0.00329
 16 O     0.00075    0.00991    0.00329
 17 O     0.00000    0.00140   -0.95799
 18 O    -0.00000    0.00246    0.02454
 19 Pt    0.00000   -0.02526    0.11318
 20 Pt    0.00000   -0.01018    0.15242
 21 O    -0.20368    0.36422    0.21684
 22 O     0.20368    0.36422    0.21684
 23 O     0.00000   -0.01590   -0.08261
 24 O     0.00000   -0.00101    1.15003
 25 Pt   -0.00000    0.01615   -0.37815
 26 Pt    0.00000   -0.00023   -0.43433
 27 O    -1.69184    0.01342   -0.71808
 28 O     1.69184    0.01342   -0.71808
 29 O    -0.00000    0.04730   -1.38752
 30 O     0.00000   -0.00470    1.83251
 31 Pt   -0.00000    0.01902    0.50975
 32 Pt    0.00000   -0.14612    0.57214
 33 O    -1.61432   -0.01892    0.06991
 34 O     1.61432   -0.01892    0.06991
 35 O     0.00000   -0.03240   -0.52520
 36 O    -0.00000    0.20458   -0.10950
 37 Pt    0.00000   -0.28947   -0.03916
 38 Pt    0.00000   -0.00435   -0.01041
 39 O     0.00982    0.01158    0.01512
 40 O    -0.00982    0.01158    0.01512
 41 O     0.00000   -0.00469   -0.00012
 42 O    -0.00000    0.02948   -0.01615
 43 Pt    0.00000   -0.00778    0.04901
 44 Pt    0.00000   -0.07636    0.01084
 45 O    -0.15128   -0.34343    0.09020
 46 O     0.15128   -0.34343    0.09020
 47 O     0.00000   -0.02244   -0.05072
 48 O    -0.00000    0.02218    1.17198
 49 Pt    0.00000   -0.02235   -0.37703
 50 Pt   -0.00000    0.02115   -0.43543
 51 O    -1.69102   -0.01396   -0.71845
 52 O     1.69102   -0.01396   -0.71845
 53 O     0.00000   -0.01255   -1.40522
 54 O     0.00000   -0.00199    1.77480
 55 Pt    0.00000   -0.01213    0.51569
 56 Pt   -0.00000    0.12677    0.64907
 57 O    -1.61379    0.01381    0.09149
 58 O     1.61379    0.01381    0.09149
 59 O     0.00000   -0.02118   -0.51663
 60 O     0.00000   -0.19484   -0.11022
 61 Pt   -0.00000    0.01189   -0.08641
 62 Pt   -0.00000    0.01730   -0.00700
 63 O    -0.01445   -0.00727    0.00259
 64 O     0.01445   -0.00727    0.00259
 65 O     0.00000   -0.00064    0.00204
 66 O     0.00000   -0.01046   -0.00274
 67 Pt   -0.00000    0.00781    0.02442
 68 Pt   -0.00000    0.14976    0.01496
 69 O    -0.00888    0.00069   -0.02937
 70 O     0.00888    0.00069   -0.02937
 71 O    -0.00000    0.00761   -0.04820
 72 N     0.00000   -0.01953    0.24251
 73 N     0.00000   -0.10441    0.15082

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    3.421252   24.140871    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.374096   23.786115    ( 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  10:56:31  -3.82   +inf  -414.117267    2      1      
iter:   2  10:58:36  -4.69  -3.77  -414.130755    3      1      
iter:   3  11:00:40  -5.11  -3.12  -414.120012    3      1      
iter:   4  11:02:44  -5.70  -3.92  -414.118739    3      1      
iter:   5  11:04:48  -5.85  -4.21  -414.118622    2      1      
iter:   6  11:06:52  -5.91  -4.59  -414.118649    2      1      
iter:   7  11:08:56  -6.38  -4.79  -414.118603    2      1      
iter:   8  11:11:01  -6.49  -4.84  -414.118661    2      1      
iter:   9  11:13:06  -6.80  -4.66  -414.118515    2      1      
iter:  10  11:15:11  -7.53  -5.02  -414.118622    2      1      

Converged after 10 iterations.

Dipole moment: (-55.962517, -32.575386, 0.060833) |e|*Ang

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

Kinetic:        +18.915593
Potential:     -137.401880
External:        +0.000000
XC:            -305.359131
Entropy (-ST):   -1.564521
Local:          +10.509056
--------------------------
Free energy:   -414.900883
Extrapolated:  -414.118622

Fermi level: -6.48361

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55551    0.14942
  0   340     -6.53809    0.14065
  0   341     -6.53685    0.14001
  0   342     -6.50697    0.12403

  1   339     -6.45864    0.19462
  1   340     -6.40991    0.14386
  1   341     -6.37551    0.11258
  1   342     -6.36332    0.10265



Forces in eV/Ang:
  0 O     0.00000   -0.01730    1.17422
  1 Pt    0.00000   -0.00194   -0.37475
  2 Pt    0.00000   -0.01897   -0.43414
  3 O    -1.68399    0.00025   -0.71848
  4 O     1.68399    0.00025   -0.71848
  5 O     0.00000   -0.01176   -1.38699
  6 O     0.00000   -0.00260    1.76497
  7 Pt   -0.00000    0.01390    0.45004
  8 Pt    0.00000   -0.03976    0.75356
  9 O    -1.58101    0.00043    0.05108
 10 O     1.58101    0.00043    0.05108
 11 O     0.00000   -0.00895   -0.56597
 12 O    -0.00000    0.00819    0.13371
 13 Pt   -0.00000    0.25896   -0.03910
 14 Pt    0.00000   -0.01970    0.00707
 15 O    -0.00059    0.00986    0.00318
 16 O     0.00059    0.00986    0.00318
 17 O     0.00000    0.00176   -0.96318
 18 O    -0.00000    0.00232    0.02466
 19 Pt    0.00000   -0.02525    0.11335
 20 Pt    0.00000   -0.01070    0.15431
 21 O    -0.20381    0.36498    0.21730
 22 O     0.20381    0.36498    0.21730
 23 O     0.00000   -0.01568   -0.08279
 24 O     0.00000   -0.00103    1.15027
 25 Pt   -0.00000    0.01618   -0.37804
 26 Pt    0.00000   -0.00026   -0.43434
 27 O    -1.69263    0.01342   -0.71771
 28 O     1.69263    0.01342   -0.71771
 29 O    -0.00000    0.04726   -1.38674
 30 O     0.00000   -0.00464    1.83015
 31 Pt   -0.00000    0.01902    0.50928
 32 Pt    0.00000   -0.14585    0.57190
 33 O    -1.61437   -0.01892    0.07010
 34 O     1.61437   -0.01892    0.07010
 35 O     0.00000   -0.03236   -0.52487
 36 O    -0.00000    0.20513   -0.10951
 37 Pt    0.00000   -0.29060   -0.03989
 38 Pt    0.00000   -0.00424   -0.01091
 39 O     0.01003    0.01157    0.01499
 40 O    -0.01003    0.01157    0.01499
 41 O     0.00000   -0.00461   -0.00200
 42 O    -0.00000    0.02965   -0.01603
 43 Pt    0.00000   -0.00773    0.05073
 44 Pt    0.00000   -0.07713    0.01250
 45 O    -0.15324   -0.34488    0.09466
 46 O     0.15324   -0.34488    0.09466
 47 O     0.00000   -0.02266   -0.05076
 48 O    -0.00000    0.02219    1.17223
 49 Pt    0.00000   -0.02237   -0.37689
 50 Pt   -0.00000    0.02115   -0.43541
 51 O    -1.69179   -0.01399   -0.71807
 52 O     1.69179   -0.01399   -0.71807
 53 O     0.00000   -0.01253   -1.40437
 54 O     0.00000   -0.00201    1.77272
 55 Pt    0.00000   -0.01208    0.51527
 56 Pt   -0.00000    0.12660    0.64881
 57 O    -1.61388    0.01385    0.09167
 58 O     1.61388    0.01385    0.09167
 59 O     0.00000   -0.02120   -0.51631
 60 O     0.00000   -0.19534   -0.11007
 61 Pt   -0.00000    0.01201   -0.08729
 62 Pt   -0.00000    0.01736   -0.00749
 63 O    -0.01434   -0.00719    0.00249
 64 O     0.01434   -0.00719    0.00249
 65 O     0.00000   -0.00053   -0.00023
 66 O     0.00000   -0.01049   -0.00276
 67 Pt   -0.00000    0.00776    0.02443
 68 Pt   -0.00000    0.14986    0.01507
 69 O    -0.00857    0.00055   -0.02924
 70 O     0.00857    0.00055   -0.02924
 71 O    -0.00000    0.00754   -0.04840
 72 N     0.00000   -0.03536    0.22141
 73 N     0.00000   -0.10545    0.17524

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    3.422483   24.147123    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.374984   23.793451    ( 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  11:31:58  -3.76   +inf  -414.139492    2      1      
iter:   2  11:33:59  -3.63  -2.97  -414.683203    2      1      
iter:   3  11:35:58  -3.90  -2.23  -414.124915    3      1      
iter:   4  11:37:54  -4.71  -3.80  -414.121936    3      1      
iter:   5  11:39:51  -5.30  -4.07  -414.122441    2      1      
iter:   6  11:41:54  -5.61  -4.25  -414.121489    2      1      
iter:   7  11:43:55  -5.85  -4.37  -414.121640    2      1      
iter:   8  11:45:58  -6.21  -4.60  -414.121721    2      1      
iter:   9  11:48:00  -6.54  -4.79  -414.121698    2      1      
iter:  10  11:50:02  -7.08  -4.70  -414.121925    2      1      
iter:  11  11:52:04  -7.17  -4.70  -414.121646    2      1      
iter:  12  11:54:06  -7.54  -5.01  -414.121708    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962479, -32.574157, 0.059486) |e|*Ang

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

Kinetic:        +18.912494
Potential:     -137.410169
External:        +0.000000
XC:            -305.350948
Entropy (-ST):   -1.564617
Local:          +10.509224
--------------------------
Free energy:   -414.904017
Extrapolated:  -414.121708

Fermi level: -6.48438

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55605    0.14931
  0   340     -6.53897    0.14071
  0   341     -6.53776    0.14008
  0   342     -6.50774    0.12403

  1   339     -6.45952    0.19474
  1   340     -6.41074    0.14391
  1   341     -6.37630    0.11260
  1   342     -6.36434    0.10285



Forces in eV/Ang:
  0 O     0.00000   -0.01732    1.17410
  1 Pt    0.00000   -0.00198   -0.37388
  2 Pt    0.00000   -0.01900   -0.43364
  3 O    -1.68296    0.00023   -0.71835
  4 O     1.68296    0.00023   -0.71835
  5 O     0.00000   -0.01177   -1.38665
  6 O     0.00000   -0.00264    1.76889
  7 Pt   -0.00000    0.01397    0.45205
  8 Pt    0.00000   -0.03978    0.75490
  9 O    -1.58125    0.00044    0.05222
 10 O     1.58125    0.00044    0.05222
 11 O     0.00000   -0.00897   -0.56446
 12 O    -0.00000    0.00826    0.13513
 13 Pt   -0.00000    0.26006   -0.03786
 14 Pt    0.00000   -0.01948    0.00784
 15 O    -0.00095    0.01003    0.00396
 16 O     0.00095    0.01003    0.00396
 17 O    -0.00000    0.00243   -0.96503
 18 O    -0.00000    0.00238    0.02535
 19 Pt    0.00000   -0.02497    0.11408
 20 Pt    0.00000   -0.01268    0.15421
 21 O    -0.20430    0.36633    0.21751
 22 O     0.20430    0.36633    0.21751
 23 O     0.00000   -0.01584   -0.08343
 24 O     0.00000   -0.00102    1.15013
 25 Pt   -0.00000    0.01622   -0.37718
 26 Pt    0.00000   -0.00023   -0.43389
 27 O    -1.69158    0.01343   -0.71759
 28 O     1.69158    0.01343   -0.71759
 29 O    -0.00000    0.04720   -1.38652
 30 O     0.00000   -0.00463    1.83406
 31 Pt   -0.00000    0.01901    0.51150
 32 Pt    0.00000   -0.14569    0.57356
 33 O    -1.61460   -0.01893    0.07133
 34 O     1.61460   -0.01893    0.07133
 35 O     0.00000   -0.03237   -0.52335
 36 O    -0.00000    0.20563   -0.10854
 37 Pt    0.00000   -0.29171   -0.03878
 38 Pt    0.00000   -0.00435   -0.01009
 39 O     0.00959    0.01153    0.01586
 40 O    -0.00959    0.01153    0.01586
 41 O     0.00000   -0.00462    0.00002
 42 O    -0.00000    0.03000   -0.01560
 43 Pt    0.00000   -0.00797    0.05169
 44 Pt    0.00000   -0.07654    0.01180
 45 O    -0.15489   -0.34711    0.09784
 46 O     0.15489   -0.34711    0.09784
 47 O     0.00000   -0.02235   -0.05143
 48 O    -0.00000    0.02220    1.17209
 49 Pt    0.00000   -0.02237   -0.37604
 50 Pt   -0.00000    0.02115   -0.43497
 51 O    -1.69076   -0.01398   -0.71794
 52 O     1.69076   -0.01398   -0.71794
 53 O     0.00000   -0.01246   -1.40412
 54 O     0.00000   -0.00199    1.77646
 55 Pt    0.00000   -0.01214    0.51734
 56 Pt   -0.00000    0.12648    0.65034
 57 O    -1.61412    0.01385    0.09282
 58 O     1.61412    0.01385    0.09282
 59 O     0.00000   -0.02118   -0.51485
 60 O     0.00000   -0.19589   -0.10917
 61 Pt   -0.00000    0.01192   -0.08628
 62 Pt   -0.00000    0.01725   -0.00661
 63 O    -0.01473   -0.00734    0.00335
 64 O     0.01473   -0.00734    0.00335
 65 O     0.00000   -0.00052    0.00221
 66 O     0.00000   -0.01085   -0.00228
 67 Pt   -0.00000    0.00777    0.02419
 68 Pt   -0.00000    0.14977    0.01565
 69 O    -0.00880    0.00050   -0.02972
 70 O     0.00880    0.00050   -0.02972
 71 O    -0.00000    0.00743   -0.04894
 72 N     0.00000   -0.04100    0.25600
 73 N     0.00000   -0.10052    0.24009

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    3.423604   24.153949    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.375783   23.801543    ( 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  12:09:41  -3.70   +inf  -414.125697    3      1      
iter:   2  12:11:45  -4.65  -4.11  -414.125508    2      1      
iter:   3  12:13:48  -5.25  -3.69  -414.125848    2      1      
iter:   4  12:15:52  -5.77  -3.87  -414.126133    2      1      
iter:   5  12:17:55  -5.74  -4.26  -414.125236    3      1      
iter:   6  12:19:59  -5.86  -4.31  -414.125547    2      1      
iter:   7  12:22:03  -6.18  -4.53  -414.125617    2      1      
iter:   8  12:24:07  -6.50  -4.81  -414.125601    2      1      
iter:   9  12:26:11  -6.94  -4.98  -414.125602    2      1      
iter:  10  12:28:17  -7.24  -4.92  -414.125549    2      1      
iter:  11  12:30:21  -7.73  -5.16  -414.125609    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962536, -32.572961, 0.058444) |e|*Ang

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

Kinetic:        +18.913227
Potential:     -137.420097
External:        +0.000000
XC:            -305.345070
Entropy (-ST):   -1.564610
Local:          +10.508637
--------------------------
Free energy:   -414.907914
Extrapolated:  -414.125609

Fermi level: -6.48532

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55684    0.14923
  0   340     -6.53991    0.14070
  0   341     -6.53870    0.14008
  0   342     -6.50869    0.12404

  1   339     -6.46039    0.19466
  1   340     -6.41170    0.14392
  1   341     -6.37720    0.11257
  1   342     -6.36553    0.10304



Forces in eV/Ang:
  0 O     0.00000   -0.01735    1.17410
  1 Pt    0.00000   -0.00204   -0.37446
  2 Pt    0.00000   -0.01905   -0.43398
  3 O    -1.68326    0.00019   -0.71866
  4 O     1.68326    0.00019   -0.71866
  5 O     0.00000   -0.01173   -1.38733
  6 O     0.00000   -0.00257    1.76765
  7 Pt   -0.00000    0.01406    0.45093
  8 Pt    0.00000   -0.03969    0.75396
  9 O    -1.58099    0.00052    0.05128
 10 O     1.58099    0.00052    0.05128
 11 O     0.00000   -0.00890   -0.56568
 12 O    -0.00000    0.00837    0.13417
 13 Pt   -0.00000    0.26111   -0.03813
 14 Pt    0.00000   -0.01948    0.00776
 15 O    -0.00094    0.01000    0.00357
 16 O     0.00094    0.01000    0.00357
 17 O    -0.00000    0.00298   -0.96936
 18 O    -0.00000    0.00240    0.02486
 19 Pt    0.00000   -0.02509    0.11476
 20 Pt    0.00000   -0.01471    0.15373
 21 O    -0.20489    0.36728    0.21813
 22 O     0.20489    0.36728    0.21813
 23 O     0.00000   -0.01607   -0.08371
 24 O     0.00000   -0.00098    1.15013
 25 Pt   -0.00000    0.01627   -0.37768
 26 Pt    0.00000   -0.00018   -0.43425
 27 O    -1.69185    0.01342   -0.71791
 28 O     1.69185    0.01342   -0.71791
 29 O    -0.00000    0.04710   -1.38734
 30 O     0.00000   -0.00473    1.83281
 31 Pt   -0.00000    0.01900    0.51039
 32 Pt    0.00000   -0.14562    0.57296
 33 O    -1.61437   -0.01894    0.07037
 34 O     1.61437   -0.01894    0.07037
 35 O     0.00000   -0.03246   -0.52454
 36 O    -0.00000    0.20630   -0.11000
 37 Pt    0.00000   -0.29298   -0.03930
 38 Pt    0.00000   -0.00428   -0.01017
 39 O     0.00960    0.01159    0.01543
 40 O    -0.00960    0.01159    0.01543
 41 O     0.00000   -0.00438   -0.00002
 42 O    -0.00000    0.03006   -0.01616
 43 Pt    0.00000   -0.00797    0.05281
 44 Pt    0.00000   -0.07655    0.01060
 45 O    -0.15673   -0.34888    0.10084
 46 O     0.15673   -0.34888    0.10084
 47 O     0.00000   -0.02221   -0.05163
 48 O    -0.00000    0.02220    1.17210
 49 Pt    0.00000   -0.02235   -0.37664
 50 Pt   -0.00000    0.02115   -0.43543
 51 O    -1.69108   -0.01393   -0.71826
 52 O     1.69108   -0.01393   -0.71826
 53 O     0.00000   -0.01241   -1.40499
 54 O     0.00000   -0.00195    1.77488
 55 Pt    0.00000   -0.01221    0.51625
 56 Pt   -0.00000    0.12632    0.64967
 57 O    -1.61388    0.01377    0.09184
 58 O     1.61388    0.01377    0.09184
 59 O     0.00000   -0.02116   -0.51598
 60 O     0.00000   -0.19664   -0.11034
 61 Pt   -0.00000    0.01203   -0.08698
 62 Pt   -0.00000    0.01717   -0.00649
 63 O    -0.01477   -0.00738    0.00295
 64 O     0.01477   -0.00738    0.00295
 65 O     0.00000   -0.00060    0.00188
 66 O     0.00000   -0.01092   -0.00271
 67 Pt   -0.00000    0.00793    0.02434
 68 Pt   -0.00000    0.15001    0.01538
 69 O    -0.00887    0.00044   -0.02938
 70 O     0.00887    0.00044   -0.02938
 71 O    -0.00000    0.00749   -0.04904
 72 N     0.00000   -0.00980    0.28183
 73 N     0.00000   -0.06458    0.18847

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    3.424692   24.161971    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.376951   23.809617    ( 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  12:45:03  -3.64   +inf  -414.127779    2      1      
iter:   2  12:47:08  -4.59  -3.86  -414.133178    3      1      
iter:   3  12:49:13  -5.14  -3.56  -414.130547    3      1      
iter:   4  12:51:18  -5.69  -3.70  -414.129546    2      1      
iter:   5  12:53:22  -5.68  -4.10  -414.129385    2      1      
iter:   6  12:55:27  -5.78  -4.45  -414.129362    2      1      
iter:   7  12:57:34  -6.09  -4.62  -414.129420    2      1      
iter:   8  12:59:35  -6.35  -4.73  -414.129375    2      1      
iter:   9  13:01:37  -6.98  -5.02  -414.129395    2      1      
iter:  10  13:03:40  -7.32  -5.12  -414.129290    2      1      
iter:  11  13:05:37  -7.80  -4.94  -414.129385    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962554, -32.571839, 0.057611) |e|*Ang

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

Kinetic:        +18.904400
Potential:     -137.420830
External:        +0.000000
XC:            -305.337970
Entropy (-ST):   -1.564679
Local:          +10.507355
--------------------------
Free energy:   -414.911724
Extrapolated:  -414.129385

Fermi level: -6.48628

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55782    0.14924
  0   340     -6.54072    0.14063
  0   341     -6.53950    0.14000
  0   342     -6.50973    0.12408

  1   339     -6.46125    0.19456
  1   340     -6.41256    0.14383
  1   341     -6.37809    0.11251
  1   342     -6.36677    0.10327



Forces in eV/Ang:
  0 O     0.00000   -0.01735    1.17428
  1 Pt    0.00000   -0.00205   -0.37475
  2 Pt    0.00000   -0.01902   -0.43414
  3 O    -1.68400    0.00021   -0.71854
  4 O     1.68400    0.00021   -0.71854
  5 O     0.00000   -0.01171   -1.38697
  6 O     0.00000   -0.00256    1.76498
  7 Pt   -0.00000    0.01395    0.45014
  8 Pt    0.00000   -0.03976    0.75360
  9 O    -1.58100    0.00048    0.05115
 10 O     1.58100    0.00048    0.05115
 11 O     0.00000   -0.00890   -0.56588
 12 O    -0.00000    0.00826    0.13442
 13 Pt   -0.00000    0.26218   -0.03891
 14 Pt    0.00000   -0.01963    0.00729
 15 O    -0.00065    0.00994    0.00344
 16 O     0.00065    0.00994    0.00344
 17 O    -0.00000    0.00348   -0.97584
 18 O    -0.00000    0.00235    0.02499
 19 Pt    0.00000   -0.02503    0.11505
 20 Pt    0.00000   -0.01560    0.15404
 21 O    -0.20508    0.36796    0.21868
 22 O     0.20508    0.36796    0.21868
 23 O     0.00000   -0.01590   -0.08397
 24 O     0.00000   -0.00099    1.15031
 25 Pt   -0.00000    0.01630   -0.37798
 26 Pt    0.00000   -0.00021   -0.43439
 27 O    -1.69261    0.01342   -0.71779
 28 O     1.69261    0.01342   -0.71779
 29 O    -0.00000    0.04704   -1.38705
 30 O     0.00000   -0.00473    1.83023
 31 Pt   -0.00000    0.01904    0.50949
 32 Pt    0.00000   -0.14535    0.57279
 33 O    -1.61437   -0.01893    0.07020
 34 O     1.61437   -0.01893    0.07020
 35 O     0.00000   -0.03243   -0.52473
 36 O    -0.00000    0.20706   -0.11043
 37 Pt    0.00000   -0.29409   -0.04008
 38 Pt    0.00000   -0.00420   -0.01080
 39 O     0.01002    0.01160    0.01532
 40 O    -0.01002    0.01160    0.01532
 41 O     0.00000   -0.00440   -0.00170
 42 O    -0.00000    0.02995   -0.01602
 43 Pt    0.00000   -0.00795    0.05443
 44 Pt    0.00000   -0.07712    0.01099
 45 O    -0.15880   -0.35036    0.10603
 46 O     0.15880   -0.35036    0.10603
 47 O     0.00000   -0.02254   -0.05173
 48 O    -0.00000    0.02221    1.17227
 49 Pt    0.00000   -0.02238   -0.37690
 50 Pt   -0.00000    0.02115   -0.43555
 51 O    -1.69181   -0.01395   -0.71813
 52 O     1.69181   -0.01395   -0.71813
 53 O     0.00000   -0.01237   -1.40464
 54 O     0.00000   -0.00196    1.77254
 55 Pt    0.00000   -0.01214    0.51545
 56 Pt   -0.00000    0.12614    0.64953
 57 O    -1.61390    0.01380    0.09166
 58 O     1.61390    0.01380    0.09166
 59 O     0.00000   -0.02119   -0.51608
 60 O     0.00000   -0.19727   -0.11074
 61 Pt   -0.00000    0.01199   -0.08792
 62 Pt   -0.00000    0.01725   -0.00726
 63 O    -0.01453   -0.00730    0.00277
 64 O     0.01453   -0.00730    0.00277
 65 O     0.00000   -0.00051   -0.00025
 66 O     0.00000   -0.01075   -0.00266
 67 Pt   -0.00000    0.00786    0.02433
 68 Pt   -0.00000    0.15035    0.01523
 69 O    -0.00870    0.00026   -0.02930
 70 O     0.00870    0.00026   -0.02930
 71 O    -0.00000    0.00765   -0.04912
 72 N    -0.00000    0.02188    0.23043
 73 N     0.00000   -0.04194    0.16791

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    3.425569   24.170372    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.378052   23.817793    ( 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  13:20:51  -3.62   +inf  -414.150715    3      1      
iter:   2  13:22:56  -3.63  -2.97  -414.678389    2      1      
iter:   3  13:25:00  -3.93  -2.24  -414.135855    3      1      
iter:   4  13:27:06  -4.75  -3.86  -414.133347    3      1      
iter:   5  13:29:10  -5.34  -4.06  -414.133933    2      1      
iter:   6  13:31:15  -5.59  -4.24  -414.132838    2      1      
iter:   7  13:33:20  -5.75  -4.26  -414.133093    2      1      
iter:   8  13:35:24  -6.13  -4.57  -414.133164    2      1      
iter:   9  13:37:29  -6.48  -4.66  -414.133154    2      1      
iter:  10  13:39:34  -7.04  -4.69  -414.133390    2      1      
iter:  11  13:41:38  -7.11  -4.68  -414.133129    2      1      
iter:  12  13:43:43  -7.58  -5.03  -414.133173    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962528, -32.570752, 0.056254) |e|*Ang

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

Kinetic:        +18.917094
Potential:     -137.440760
External:        +0.000000
XC:            -305.332821
Entropy (-ST):   -1.564742
Local:          +10.505685
--------------------------
Free energy:   -414.915544
Extrapolated:  -414.133173

Fermi level: -6.48708

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55835    0.14911
  0   340     -6.54164    0.14070
  0   341     -6.54046    0.14008
  0   342     -6.51052    0.12407

  1   339     -6.46213    0.19465
  1   340     -6.41342    0.14389
  1   341     -6.37888    0.11250
  1   342     -6.36784    0.10349



Forces in eV/Ang:
  0 O     0.00000   -0.01734    1.17417
  1 Pt    0.00000   -0.00207   -0.37395
  2 Pt    0.00000   -0.01901   -0.43361
  3 O    -1.68298    0.00024   -0.71834
  4 O     1.68298    0.00024   -0.71834
  5 O     0.00000   -0.01173   -1.38654
  6 O     0.00000   -0.00266    1.76892
  7 Pt   -0.00000    0.01399    0.45216
  8 Pt    0.00000   -0.03988    0.75488
  9 O    -1.58121    0.00046    0.05228
 10 O     1.58121    0.00046    0.05228
 11 O     0.00000   -0.00895   -0.56454
 12 O    -0.00000    0.00829    0.13548
 13 Pt   -0.00000    0.26318   -0.03790
 14 Pt    0.00000   -0.01951    0.00793
 15 O    -0.00092    0.01013    0.00395
 16 O     0.00092    0.01013    0.00395
 17 O    -0.00000    0.00393   -0.97737
 18 O    -0.00000    0.00229    0.02545
 19 Pt    0.00000   -0.02465    0.11564
 20 Pt    0.00000   -0.01687    0.15495
 21 O    -0.20560    0.36938    0.21902
 22 O     0.20560    0.36938    0.21902
 23 O     0.00000   -0.01592   -0.08453
 24 O     0.00000   -0.00101    1.15018
 25 Pt   -0.00000    0.01634   -0.37720
 26 Pt    0.00000   -0.00023   -0.43389
 27 O    -1.69160    0.01343   -0.71759
 28 O     1.69160    0.01343   -0.71759
 29 O    -0.00000    0.04699   -1.38670
 30 O     0.00000   -0.00458    1.83415
 31 Pt   -0.00000    0.01901    0.51160
 32 Pt    0.00000   -0.14506    0.57434
 33 O    -1.61451   -0.01894    0.07135
 34 O     1.61451   -0.01894    0.07135
 35 O     0.00000   -0.03238   -0.52344
 36 O    -0.00000    0.20751   -0.10979
 37 Pt    0.00000   -0.29516   -0.03922
 38 Pt    0.00000   -0.00431   -0.01008
 39 O     0.00965    0.01150    0.01592
 40 O    -0.00965    0.01150    0.01592
 41 O     0.00000   -0.00431    0.00050
 42 O    -0.00000    0.03050   -0.01581
 43 Pt    0.00000   -0.00825    0.05605
 44 Pt    0.00000   -0.07672    0.01148
 45 O    -0.16094   -0.35260    0.11035
 46 O     0.16094   -0.35260    0.11035
 47 O     0.00000   -0.02230   -0.05228
 48 O    -0.00000    0.02222    1.17215
 49 Pt    0.00000   -0.02239   -0.37610
 50 Pt   -0.00000    0.02115   -0.43501
 51 O    -1.69079   -0.01398   -0.71792
 52 O     1.69079   -0.01398   -0.71792
 53 O     0.00000   -0.01232   -1.40421
 54 O     0.00000   -0.00201    1.77658
 55 Pt    0.00000   -0.01215    0.51747
 56 Pt   -0.00000    0.12599    0.65098
 57 O    -1.61411    0.01384    0.09278
 58 O     1.61411    0.01384    0.09278
 59 O     0.00000   -0.02120   -0.51486
 60 O     0.00000   -0.19773   -0.11001
 61 Pt   -0.00000    0.01200   -0.08710
 62 Pt   -0.00000    0.01724   -0.00648
 63 O    -0.01479   -0.00740    0.00335
 64 O     0.01479   -0.00740    0.00335
 65 O     0.00000   -0.00046    0.00244
 66 O     0.00000   -0.01120   -0.00249
 67 Pt   -0.00000    0.00780    0.02423
 68 Pt   -0.00000    0.15011    0.01576
 69 O    -0.00902    0.00017   -0.02963
 70 O     0.00902    0.00017   -0.02963
 71 O    -0.00000    0.00742   -0.04969
 72 N    -0.00000    0.07733    0.24320
 73 N     0.00000   -0.05304    0.20543

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    3.426465   24.179363    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.378593   23.826578    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:54:26  -3.57   +inf  -414.136738    2      1      
iter:   2  13:56:31  -4.40  -3.59  -414.168673    3      1      
iter:   3  13:58:36  -4.80  -2.88  -414.139022    2      1      
iter:   4  14:00:40  -5.46  -3.94  -414.137786    3      1      
iter:   5  14:02:44  -5.71  -4.05  -414.137805    2      1      
iter:   6  14:04:48  -5.61  -4.39  -414.137676    2      1      
iter:   7  14:06:51  -6.13  -4.64  -414.137592    2      1      
iter:   8  14:08:55  -6.08  -4.74  -414.137640    2      1      
iter:   9  14:10:58  -6.58  -4.69  -414.137339    2      1      
iter:  10  14:13:01  -7.16  -4.53  -414.137564    2      1      
iter:  11  14:15:04  -7.63  -4.82  -414.137609    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962623, -32.569785, 0.055620) |e|*Ang

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

Kinetic:        +18.788878
Potential:     -137.341737
External:        +0.000000
XC:            -305.306256
Entropy (-ST):   -1.564782
Local:          +10.503897
--------------------------
Free energy:   -414.920000
Extrapolated:  -414.137609

Fermi level: -6.48806

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55941    0.14915
  0   340     -6.54246    0.14061
  0   341     -6.54124    0.13998
  0   342     -6.51162    0.12414

  1   339     -6.46295    0.19446
  1   340     -6.41429    0.14377
  1   341     -6.37979    0.11244
  1   342     -6.36912    0.10371



Forces in eV/Ang:
  0 O     0.00000   -0.01735    1.17435
  1 Pt    0.00000   -0.00208   -0.37493
  2 Pt    0.00000   -0.01897   -0.43416
  3 O    -1.68420    0.00025   -0.71852
  4 O     1.68420    0.00025   -0.71852
  5 O     0.00000   -0.01169   -1.38697
  6 O     0.00000   -0.00259    1.76383
  7 Pt   -0.00000    0.01388    0.44945
  8 Pt    0.00000   -0.03988    0.75284
  9 O    -1.58109    0.00042    0.05077
 10 O     1.58109    0.00042    0.05077
 11 O     0.00000   -0.00893   -0.56655
 12 O    -0.00000    0.00822    0.13391
 13 Pt   -0.00000    0.26434   -0.03948
 14 Pt    0.00000   -0.01989    0.00692
 15 O    -0.00055    0.00989    0.00306
 16 O     0.00055    0.00989    0.00306
 17 O    -0.00000    0.00422   -0.98365
 18 O    -0.00000    0.00213    0.02481
 19 Pt    0.00000   -0.02495    0.11626
 20 Pt    0.00000   -0.01695    0.15924
 21 O    -0.20577    0.37003    0.21979
 22 O     0.20577    0.37003    0.21979
 23 O     0.00000   -0.01534   -0.08331
 24 O     0.00000   -0.00101    1.15036
 25 Pt   -0.00000    0.01638   -0.37812
 26 Pt    0.00000   -0.00027   -0.43442
 27 O    -1.69284    0.01341   -0.71777
 28 O     1.69284    0.01341   -0.71777
 29 O    -0.00000    0.04693   -1.38719
 30 O     0.00000   -0.00469    1.82913
 31 Pt   -0.00000    0.01906    0.50871
 32 Pt    0.00000   -0.14488    0.57257
 33 O    -1.61441   -0.01891    0.06980
 34 O     1.61441   -0.01891    0.06980
 35 O     0.00000   -0.03240   -0.52545
 36 O    -0.00000    0.20822   -0.11200
 37 Pt    0.00000   -0.29654   -0.04089
 38 Pt    0.00000   -0.00397   -0.01118
 39 O     0.01019    0.01160    0.01496
 40 O    -0.01019    0.01160    0.01496
 41 O     0.00000   -0.00406   -0.00244
 42 O    -0.00000    0.03034   -0.01624
 43 Pt    0.00000   -0.00796    0.05936
 44 Pt    0.00000   -0.07857    0.01514
 45 O    -0.16351   -0.35398    0.11651
 46 O     0.16351   -0.35398    0.11651
 47 O     0.00000   -0.02312   -0.05112
 48 O    -0.00000    0.02222    1.17231
 49 Pt    0.00000   -0.02242   -0.37705
 50 Pt   -0.00000    0.02116   -0.43557
 51 O    -1.69202   -0.01398   -0.71811
 52 O     1.69202   -0.01398   -0.71811
 53 O     0.00000   -0.01230   -1.40470
 54 O     0.00000   -0.00198    1.77181
 55 Pt    0.00000   -0.01210    0.51476
 56 Pt   -0.00000    0.12580    0.64927
 57 O    -1.61400    0.01383    0.09122
 58 O     1.61400    0.01383    0.09122
 59 O     0.00000   -0.02120   -0.51678
 60 O     0.00000   -0.19833   -0.11189
 61 Pt   -0.00000    0.01214   -0.08924
 62 Pt   -0.00000    0.01726   -0.00756
 63 O    -0.01457   -0.00725    0.00243
 64 O     0.01457   -0.00725    0.00243
 65 O     0.00000   -0.00038   -0.00187
 66 O     0.00000   -0.01090   -0.00311
 67 Pt   -0.00000    0.00779    0.02465
 68 Pt   -0.00000    0.15073    0.01594
 69 O    -0.00841   -0.00007   -0.02887
 70 O     0.00841   -0.00007   -0.02887
 71 O    -0.00000    0.00762   -0.04904
 72 N    -0.00000    0.01807    0.25751
 73 N     0.00000   -0.02269    0.15743

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    3.427308   24.188374    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.379245   23.835243    ( 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  14:31:07  -3.57   +inf  -414.168202    3      1      
iter:   2  14:33:04  -3.45  -2.87  -414.985568    2      1      
iter:   3  14:35:00  -3.72  -2.15  -414.145635    3      1      
iter:   4  14:37:03  -4.50  -3.69  -414.141403    3      1      
iter:   5  14:39:07  -5.08  -3.95  -414.142157    3      1      
iter:   6  14:41:10  -5.41  -4.12  -414.140848    2      1      
iter:   7  14:43:14  -5.62  -4.33  -414.140792    2      1      
iter:   8  14:45:17  -5.90  -4.42  -414.141022    2      1      
iter:   9  14:47:21  -6.35  -4.77  -414.140991    2      1      
iter:  10  14:49:23  -6.92  -4.60  -414.141254    2      1      
iter:  11  14:51:26  -6.96  -4.63  -414.140810    2      1      
iter:  12  14:53:28  -7.41  -4.59  -414.141008    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962547, -32.568576, 0.053929) |e|*Ang

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

Kinetic:        +18.733473
Potential:     -137.309027
External:        +0.000000
XC:            -305.286398
Entropy (-ST):   -1.564854
Local:          +10.503371
--------------------------
Free energy:   -414.923435
Extrapolated:  -414.141008

Fermi level: -6.48899

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55999    0.14898
  0   340     -6.54357    0.14070
  0   341     -6.54241    0.14010
  0   342     -6.51251    0.12412

  1   339     -6.46400    0.19461
  1   340     -6.41531    0.14388
  1   341     -6.38074    0.11246
  1   342     -6.37031    0.10393



Forces in eV/Ang:
  0 O     0.00000   -0.01734    1.17415
  1 Pt    0.00000   -0.00211   -0.37389
  2 Pt    0.00000   -0.01899   -0.43368
  3 O    -1.68262    0.00026   -0.71832
  4 O     1.68262    0.00026   -0.71832
  5 O     0.00000   -0.01170   -1.38638
  6 O     0.00000   -0.00268    1.76970
  7 Pt   -0.00000    0.01396    0.45277
  8 Pt    0.00000   -0.03997    0.75508
  9 O    -1.58133    0.00043    0.05254
 10 O     1.58133    0.00043    0.05254
 11 O     0.00000   -0.00897   -0.56409
 12 O    -0.00000    0.00826    0.13614
 13 Pt   -0.00000    0.26541   -0.03742
 14 Pt    0.00000   -0.01962    0.00838
 15 O    -0.00104    0.01017    0.00433
 16 O     0.00104    0.01017    0.00433
 17 O    -0.00000    0.00480   -0.98421
 18 O    -0.00000    0.00213    0.02589
 19 Pt    0.00000   -0.02436    0.11736
 20 Pt    0.00000   -0.01861    0.16020
 21 O    -0.20629    0.37165    0.21980
 22 O     0.20629    0.37165    0.21980
 23 O     0.00000   -0.01544   -0.08426
 24 O     0.00000   -0.00101    1.15014
 25 Pt   -0.00000    0.01642   -0.37713
 26 Pt    0.00000   -0.00025   -0.43397
 27 O    -1.69124    0.01342   -0.71757
 28 O     1.69124    0.01342   -0.71757
 29 O    -0.00000    0.04686   -1.38669
 30 O     0.00000   -0.00454    1.83499
 31 Pt   -0.00000    0.01901    0.51223
 32 Pt    0.00000   -0.14462    0.57510
 33 O    -1.61459   -0.01894    0.07168
 34 O     1.61459   -0.01894    0.07168
 35 O     0.00000   -0.03235   -0.52301
 36 O    -0.00000    0.20863   -0.11009
 37 Pt    0.00000   -0.29755   -0.03899
 38 Pt    0.00000   -0.00420   -0.00969
 39 O     0.00959    0.01147    0.01628
 40 O    -0.00959    0.01147    0.01628
 41 O     0.00000   -0.00407    0.00145
 42 O    -0.00000    0.03094   -0.01561
 43 Pt    0.00000   -0.00849    0.06096
 44 Pt    0.00000   -0.07777    0.01545
 45 O    -0.16544   -0.35645    0.12007
 46 O     0.16544   -0.35645    0.12007
 47 O     0.00000   -0.02272   -0.05195
 48 O    -0.00000    0.02222    1.17212
 49 Pt    0.00000   -0.02242   -0.37603
 50 Pt   -0.00000    0.02115   -0.43511
 51 O    -1.69043   -0.01399   -0.71789
 52 O     1.69043   -0.01399   -0.71789
 53 O     0.00000   -0.01223   -1.40413
 54 O     0.00000   -0.00203    1.77755
 55 Pt    0.00000   -0.01213    0.51809
 56 Pt   -0.00000    0.12566    0.65158
 57 O    -1.61424    0.01386    0.09298
 58 O     1.61424    0.01386    0.09298
 59 O     0.00000   -0.02121   -0.51442
 60 O     0.00000   -0.19878   -0.11011
 61 Pt   -0.00000    0.01200   -0.08723
 62 Pt   -0.00000    0.01724   -0.00604
 63 O    -0.01496   -0.00741    0.00378
 64 O     0.01496   -0.00741    0.00378
 65 O     0.00000   -0.00035    0.00293
 66 O     0.00000   -0.01142   -0.00244
 67 Pt   -0.00000    0.00776    0.02482
 68 Pt   -0.00000    0.15041    0.01737
 69 O    -0.00887   -0.00015   -0.02970
 70 O     0.00887   -0.00015   -0.02970
 71 O    -0.00000    0.00738   -0.04978
 72 N     0.00000   -0.06717    0.15967
 73 N    -0.00000    0.00459    0.13637

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    3.427633   24.197058    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.380045   23.844315    ( 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  15:04:49  -3.59   +inf  -414.145289    3      1      
iter:   2  15:06:53  -4.52  -3.78  -414.150404    3      1      
iter:   3  15:08:57  -5.01  -3.17  -414.143163    2      1      
iter:   4  15:11:01  -5.59  -3.99  -414.144621    3      1      
iter:   5  15:13:03  -5.62  -4.14  -414.143907    3      1      
iter:   6  15:15:07  -5.79  -4.22  -414.144066    3      1      
iter:   7  15:17:10  -5.89  -4.55  -414.144102    2      1      
iter:   8  15:19:13  -6.36  -4.71  -414.144082    2      1      
iter:   9  15:21:16  -6.86  -4.83  -414.144008    2      1      
iter:  10  15:23:19  -7.28  -4.76  -414.144136    2      1      
iter:  11  15:25:23  -7.65  -4.84  -414.144006    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962620, -32.567292, 0.052697) |e|*Ang

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

Kinetic:        +18.845606
Potential:     -137.412732
External:        +0.000000
XC:            -305.298725
Entropy (-ST):   -1.565028
Local:          +10.504359
--------------------------
Free energy:   -414.926520
Extrapolated:  -414.144006

Fermi level: -6.48998

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56095    0.14896
  0   340     -6.54446    0.14065
  0   341     -6.54329    0.14005
  0   342     -6.51360    0.12417

  1   339     -6.46502    0.19463
  1   340     -6.41624    0.14381
  1   341     -6.38168    0.11242
  1   342     -6.37163    0.10419



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17431
  1 Pt    0.00000   -0.00215   -0.37413
  2 Pt    0.00000   -0.01903   -0.43350
  3 O    -1.68321    0.00022   -0.71856
  4 O     1.68321    0.00022   -0.71856
  5 O     0.00000   -0.01165   -1.38720
  6 O     0.00000   -0.00258    1.76773
  7 Pt   -0.00000    0.01400    0.45096
  8 Pt    0.00000   -0.03989    0.75410
  9 O    -1.58124    0.00048    0.05124
 10 O     1.58124    0.00048    0.05124
 11 O     0.00000   -0.00887   -0.56612
 12 O    -0.00000    0.00837    0.13480
 13 Pt   -0.00000    0.26633   -0.03908
 14 Pt    0.00000   -0.01961    0.00718
 15 O    -0.00104    0.01012    0.00338
 16 O     0.00104    0.01012    0.00338
 17 O    -0.00000    0.00540   -0.99266
 18 O    -0.00000    0.00219    0.02511
 19 Pt    0.00000   -0.02477    0.11654
 20 Pt    0.00000   -0.02164    0.15282
 21 O    -0.20677    0.37191    0.22064
 22 O     0.20677    0.37191    0.22064
 23 O     0.00000   -0.01622   -0.08568
 24 O     0.00000   -0.00099    1.15032
 25 Pt   -0.00000    0.01646   -0.37729
 26 Pt    0.00000   -0.00021   -0.43379
 27 O    -1.69181    0.01341   -0.71782
 28 O     1.69181    0.01341   -0.71782
 29 O    -0.00000    0.04677   -1.38765
 30 O     0.00000   -0.00468    1.83304
 31 Pt   -0.00000    0.01905    0.51042
 32 Pt    0.00000   -0.14453    0.57436
 33 O    -1.61454   -0.01891    0.07033
 34 O     1.61454   -0.01891    0.07033
 35 O     0.00000   -0.03246   -0.52500
 36 O    -0.00000    0.20947   -0.11216
 37 Pt    0.00000   -0.29861   -0.04091
 38 Pt    0.00000   -0.00418   -0.01097
 39 O     0.00962    0.01156    0.01534
 40 O    -0.00962    0.01156    0.01534
 41 O     0.00000   -0.00394   -0.00175
 42 O    -0.00000    0.03058   -0.01627
 43 Pt    0.00000   -0.00818    0.05929
 44 Pt    0.00000   -0.07705    0.00873
 45 O    -0.16677   -0.35755    0.12235
 46 O     0.16677   -0.35755    0.12235
 47 O     0.00000   -0.02233   -0.05320
 48 O    -0.00000    0.02223    1.17229
 49 Pt    0.00000   -0.02243   -0.37625
 50 Pt   -0.00000    0.02115   -0.43502
 51 O    -1.69103   -0.01395   -0.71815
 52 O     1.69103   -0.01395   -0.71815
 53 O     0.00000   -0.01219   -1.40508
 54 O     0.00000   -0.00199    1.77540
 55 Pt    0.00000   -0.01220    0.51630
 56 Pt   -0.00000    0.12549    0.65079
 57 O    -1.61418    0.01377    0.09164
 58 O     1.61418    0.01377    0.09164
 59 O     0.00000   -0.02119   -0.51642
 60 O     0.00000   -0.19970   -0.11199
 61 Pt   -0.00000    0.01209   -0.08922
 62 Pt   -0.00000    0.01721   -0.00712
 63 O    -0.01505   -0.00745    0.00276
 64 O     0.01505   -0.00745    0.00276
 65 O     0.00000   -0.00044   -0.00009
 66 O     0.00000   -0.01112   -0.00293
 67 Pt   -0.00000    0.00794    0.02381
 68 Pt   -0.00000    0.15098    0.01503
 69 O    -0.00886   -0.00018   -0.02909
 70 O     0.00886   -0.00018   -0.02909
 71 O    -0.00000    0.00770   -0.05025
 72 N     0.00000   -0.00737    0.18110
 73 N     0.00000   -0.05217    0.17021

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    3.427866   24.206645    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.379871   23.854681    ( 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  15:42:25  -3.50   +inf  -414.150826    3      1      
iter:   2  15:44:29  -4.40  -3.65  -414.158558    3      1      
iter:   3  15:46:32  -4.84  -3.01  -414.148118    3      1      
iter:   4  15:48:36  -5.44  -3.60  -414.148849    3      1      
iter:   5  15:50:39  -5.73  -4.14  -414.148220    2      1      
iter:   6  15:52:42  -5.64  -4.41  -414.148110    2      1      
iter:   7  15:54:46  -5.94  -4.48  -414.148228    2      1      
iter:   8  15:56:49  -6.05  -4.73  -414.148169    2      1      
iter:   9  15:58:45  -6.76  -4.90  -414.148199    2      1      
iter:  10  16:00:42  -7.18  -4.79  -414.148206    2      1      
iter:  11  16:02:45  -7.69  -4.74  -414.148114    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962650, -32.566098, 0.051412) |e|*Ang

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

Kinetic:        +18.756866
Potential:     -137.346736
External:        +0.000000
XC:            -305.279669
Entropy (-ST):   -1.565101
Local:          +10.503975
--------------------------
Free energy:   -414.930665
Extrapolated:  -414.148114

Fermi level: -6.49086

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56149    0.14880
  0   340     -6.54544    0.14070
  0   341     -6.54431    0.14012
  0   342     -6.51444    0.12415

  1   339     -6.46596    0.19470
  1   340     -6.41720    0.14389
  1   341     -6.38253    0.11239
  1   342     -6.37278    0.10440



Forces in eV/Ang:
  0 O     0.00000   -0.01738    1.17399
  1 Pt    0.00000   -0.00216   -0.37410
  2 Pt    0.00000   -0.01903   -0.43331
  3 O    -1.68233    0.00024   -0.71862
  4 O     1.68233    0.00024   -0.71862
  5 O     0.00000   -0.01165   -1.38730
  6 O     0.00000   -0.00257    1.77056
  7 Pt   -0.00000    0.01395    0.45216
  8 Pt    0.00000   -0.03995    0.75506
  9 O    -1.58105    0.00047    0.05155
 10 O     1.58105    0.00047    0.05155
 11 O     0.00000   -0.00890   -0.56591
 12 O    -0.00000    0.00820    0.13509
 13 Pt   -0.00000    0.26774   -0.03803
 14 Pt    0.00000   -0.01974    0.00787
 15 O    -0.00097    0.01015    0.00366
 16 O     0.00097    0.01015    0.00366
 17 O    -0.00000    0.00598   -0.99461
 18 O    -0.00000    0.00218    0.02515
 19 Pt    0.00000   -0.02435    0.11786
 20 Pt    0.00000   -0.02276    0.15704
 21 O    -0.20747    0.37338    0.22098
 22 O     0.20747    0.37338    0.22098
 23 O     0.00000   -0.01580   -0.08500
 24 O     0.00000   -0.00098    1.14998
 25 Pt   -0.00000    0.01649   -0.37725
 26 Pt    0.00000   -0.00021   -0.43361
 27 O    -1.69093    0.01340   -0.71789
 28 O     1.69093    0.01340   -0.71789
 29 O    -0.00000    0.04669   -1.38782
 30 O     0.00000   -0.00466    1.83596
 31 Pt   -0.00000    0.01905    0.51154
 32 Pt    0.00000   -0.14428    0.57566
 33 O    -1.61434   -0.01893    0.07063
 34 O     1.61434   -0.01893    0.07063
 35 O     0.00000   -0.03242   -0.52475
 36 O    -0.00000    0.21022   -0.11237
 37 Pt    0.00000   -0.30006   -0.03979
 38 Pt    0.00000   -0.00409   -0.01049
 39 O     0.00979    0.01150    0.01573
 40 O    -0.00979    0.01150    0.01573
 41 O     0.00000   -0.00374    0.00161
 42 O    -0.00000    0.03080   -0.01639
 43 Pt    0.00000   -0.00850    0.06278
 44 Pt    0.00000   -0.07784    0.01195
 45 O    -0.16935   -0.35987    0.12828
 46 O     0.16935   -0.35987    0.12828
 47 O     0.00000   -0.02275   -0.05253
 48 O    -0.00000    0.02223    1.17194
 49 Pt    0.00000   -0.02244   -0.37625
 50 Pt   -0.00000    0.02115   -0.43485
 51 O    -1.69015   -0.01396   -0.71821
 52 O     1.69015   -0.01396   -0.71821
 53 O     0.00000   -0.01212   -1.40523
 54 O     0.00000   -0.00202    1.77843
 55 Pt    0.00000   -0.01214    0.51749
 56 Pt   -0.00000    0.12531    0.65212
 57 O    -1.61397    0.01380    0.09191
 58 O     1.61397    0.01380    0.09191
 59 O     0.00000   -0.02121   -0.51604
 60 O     0.00000   -0.20024   -0.11217
 61 Pt   -0.00000    0.01200   -0.08849
 62 Pt   -0.00000    0.01724   -0.00688
 63 O    -0.01497   -0.00741    0.00303
 64 O     0.01497   -0.00741    0.00303
 65 O     0.00000   -0.00042    0.00255
 66 O     0.00000   -0.01129   -0.00318
 67 Pt   -0.00000    0.00783    0.02437
 68 Pt   -0.00000    0.15111    0.01576
 69 O    -0.00931   -0.00039   -0.02922
 70 O     0.00931   -0.00039   -0.02922
 71 O    -0.00000    0.00773   -0.05005
 72 N     0.00000   -0.00752    0.21522
 73 N     0.00000   -0.02583    0.16378

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.427764   24.217181    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.379832   23.865296    ( 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  16:24:33  -3.44   +inf  -414.168675    3      1      
iter:   2  16:26:38  -3.69  -3.01  -414.598054    3      1      
iter:   3  16:28:42  -4.00  -2.29  -414.151193    3      1      
iter:   4  16:30:47  -4.61  -3.52  -414.153500    3      1      
iter:   5  16:32:52  -5.22  -3.93  -414.152514    2      1      
iter:   6  16:34:56  -5.24  -4.18  -414.152008    2      1      
iter:   7  16:37:00  -5.49  -4.02  -414.152361    2      1      
iter:   8  16:39:05  -5.97  -4.67  -414.152237    2      1      
iter:   9  16:41:10  -6.73  -4.79  -414.152261    2      1      
iter:  10  16:43:15  -6.85  -4.50  -414.152343    2      1      
iter:  11  16:45:20  -7.21  -4.56  -414.152209    2      1      
iter:  12  16:47:25  -7.79  -5.02  -414.152335    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962668, -32.564786, 0.049891) |e|*Ang

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

Kinetic:        +18.759584
Potential:     -137.362609
External:        +0.000000
XC:            -305.270942
Entropy (-ST):   -1.564864
Local:          +10.504063
--------------------------
Free energy:   -414.934767
Extrapolated:  -414.152335

Fermi level: -6.49239

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56281    0.14869
  0   340     -6.54700    0.14071
  0   341     -6.54588    0.14013
  0   342     -6.51596    0.12414

  1   339     -6.46729    0.19447
  1   340     -6.41879    0.14394
  1   341     -6.38398    0.11232
  1   342     -6.37458    0.10461



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17406
  1 Pt    0.00000   -0.00221   -0.37545
  2 Pt    0.00000   -0.01902   -0.43447
  3 O    -1.68295    0.00023   -0.71902
  4 O     1.68295    0.00023   -0.71902
  5 O     0.00000   -0.01162   -1.38797
  6 O     0.00000   -0.00262    1.76774
  7 Pt   -0.00000    0.01399    0.45068
  8 Pt    0.00000   -0.04003    0.75378
  9 O    -1.58078    0.00047    0.05070
 10 O     1.58078    0.00047    0.05070
 11 O     0.00000   -0.00892   -0.56679
 12 O    -0.00000    0.00827    0.13395
 13 Pt   -0.00000    0.26880   -0.03820
 14 Pt    0.00000   -0.01968    0.00820
 15 O    -0.00072    0.01018    0.00326
 16 O     0.00072    0.01018    0.00326
 17 O    -0.00000    0.00648   -0.99877
 18 O    -0.00000    0.00210    0.02484
 19 Pt    0.00000   -0.02429    0.11938
 20 Pt    0.00000   -0.02469    0.15722
 21 O    -0.20812    0.37448    0.22177
 22 O     0.20812    0.37448    0.22177
 23 O     0.00000   -0.01601   -0.08547
 24 O     0.00000   -0.00098    1.15006
 25 Pt   -0.00000    0.01654   -0.37860
 26 Pt    0.00000   -0.00021   -0.43478
 27 O    -1.69155    0.01340   -0.71830
 28 O     1.69155    0.01340   -0.71830
 29 O    -0.00000    0.04662   -1.38860
 30 O     0.00000   -0.00460    1.83309
 31 Pt   -0.00000    0.01904    0.51013
 32 Pt    0.00000   -0.14402    0.57467
 33 O    -1.61400   -0.01893    0.06977
 34 O     1.61400   -0.01893    0.06977
 35 O     0.00000   -0.03241   -0.52567
 36 O    -0.00000    0.21088   -0.11404
 37 Pt    0.00000   -0.30131   -0.04024
 38 Pt    0.00000   -0.00416   -0.01006
 39 O     0.00996    0.01152    0.01527
 40 O    -0.00996    0.01152    0.01527
 41 O     0.00000   -0.00357    0.00301
 42 O    -0.00000    0.03106   -0.01686
 43 Pt    0.00000   -0.00863    0.06493
 44 Pt    0.00000   -0.07777    0.01157
 45 O    -0.17170   -0.36198    0.13230
 46 O     0.17170   -0.36198    0.13230
 47 O     0.00000   -0.02259   -0.05300
 48 O    -0.00000    0.02223    1.17203
 49 Pt    0.00000   -0.02245   -0.37757
 50 Pt   -0.00000    0.02115   -0.43602
 51 O    -1.69078   -0.01395   -0.71861
 52 O     1.69078   -0.01395   -0.71861
 53 O     0.00000   -0.01208   -1.40592
 54 O     0.00000   -0.00203    1.77553
 55 Pt    0.00000   -0.01217    0.51599
 56 Pt   -0.00000    0.12514    0.65100
 57 O    -1.61371    0.01380    0.09098
 58 O     1.61371    0.01380    0.09098
 59 O     0.00000   -0.02120   -0.51713
 60 O     0.00000   -0.20096   -0.11362
 61 Pt   -0.00000    0.01211   -0.08892
 62 Pt   -0.00000    0.01726   -0.00627
 63 O    -0.01473   -0.00746    0.00256
 64 O     0.01473   -0.00746    0.00256
 65 O     0.00000   -0.00039    0.00442
 66 O     0.00000   -0.01146   -0.00361
 67 Pt   -0.00000    0.00794    0.02523
 68 Pt   -0.00000    0.15134    0.01686
 69 O    -0.00964   -0.00042   -0.02897
 70 O     0.00964   -0.00042   -0.02897
 71 O    -0.00000    0.00778   -0.05036
 72 N    -0.00000    0.01168    0.19766
 73 N     0.00000   -0.02988    0.13025

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    3.427737   24.227818    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.379809   23.875802    ( 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  17:03:18  -3.43   +inf  -414.169209    3      1      
iter:   2  17:05:23  -3.59  -2.95  -414.740219    3      1      
iter:   3  17:07:28  -3.87  -2.23  -414.160702    2      1      
iter:   4  17:09:33  -4.60  -3.60  -414.156435    3      1      
iter:   5  17:11:39  -5.07  -3.85  -414.156345    2      1      
iter:   6  17:13:44  -5.24  -4.28  -414.155591    2      1      
iter:   7  17:15:49  -5.45  -4.22  -414.155614    2      1      
iter:   8  17:17:54  -5.94  -4.42  -414.155828    2      1      
iter:   9  17:19:58  -6.52  -4.74  -414.155745    2      1      
iter:  10  17:22:02  -7.14  -4.69  -414.155946    2      1      
iter:  11  17:23:58  -7.33  -4.83  -414.155725    2      1      
iter:  12  17:25:52  -7.61  -4.92  -414.155861    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962692, -32.563601, 0.049247) |e|*Ang

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

Kinetic:        +18.728318
Potential:     -137.347765
External:        +0.000000
XC:            -305.257595
Entropy (-ST):   -1.564988
Local:          +10.503675
--------------------------
Free energy:   -414.938355
Extrapolated:  -414.155861

Fermi level: -6.49339

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56405    0.14881
  0   340     -6.54775    0.14059
  0   341     -6.54660    0.13999
  0   342     -6.51715    0.12425

  1   339     -6.46810    0.19427
  1   340     -6.41959    0.14375
  1   341     -6.38492    0.11227
  1   342     -6.37596    0.10492



Forces in eV/Ang:
  0 O     0.00000   -0.01739    1.17447
  1 Pt    0.00000   -0.00222   -0.37557
  2 Pt    0.00000   -0.01902   -0.43441
  3 O    -1.68411    0.00023   -0.71875
  4 O     1.68411    0.00023   -0.71875
  5 O     0.00000   -0.01160   -1.38718
  6 O     0.00000   -0.00259    1.76382
  7 Pt   -0.00000    0.01395    0.44919
  8 Pt    0.00000   -0.04005    0.75262
  9 O    -1.58100    0.00048    0.05036
 10 O     1.58100    0.00048    0.05036
 11 O     0.00000   -0.00890   -0.56764
 12 O    -0.00000    0.00824    0.13373
 13 Pt   -0.00000    0.27009   -0.03999
 14 Pt    0.00000   -0.01980    0.00722
 15 O    -0.00039    0.01019    0.00287
 16 O     0.00039    0.01019    0.00287
 17 O    -0.00000    0.00696   -1.00732
 18 O    -0.00000    0.00202    0.02453
 19 Pt    0.00000   -0.02412    0.11900
 20 Pt    0.00000   -0.02616    0.15773
 21 O    -0.20784    0.37530    0.22188
 22 O     0.20784    0.37530    0.22188
 23 O     0.00000   -0.01595   -0.08553
 24 O     0.00000   -0.00097    1.15046
 25 Pt   -0.00000    0.01657   -0.37867
 26 Pt    0.00000   -0.00020   -0.43475
 27 O    -1.69270    0.01339   -0.71801
 28 O     1.69270    0.01339   -0.71801
 29 O    -0.00000    0.04655   -1.38795
 30 O     0.00000   -0.00465    1.82917
 31 Pt   -0.00000    0.01906    0.50862
 32 Pt    0.00000   -0.14382    0.57384
 33 O    -1.61423   -0.01894    0.06941
 34 O     1.61423   -0.01894    0.06941
 35 O     0.00000   -0.03242   -0.52650
 36 O    -0.00000    0.21165   -0.11488
 37 Pt    0.00000   -0.30261   -0.04215
 38 Pt    0.00000   -0.00399   -0.01111
 39 O     0.01039    0.01152    0.01483
 40 O    -0.01039    0.01152    0.01483
 41 O     0.00000   -0.00355   -0.00219
 42 O    -0.00000    0.03133   -0.01726
 43 Pt    0.00000   -0.00867    0.06577
 44 Pt    0.00000   -0.07768    0.01149
 45 O    -0.17307   -0.36354    0.13692
 46 O     0.17307   -0.36354    0.13692
 47 O     0.00000   -0.02257   -0.05297
 48 O    -0.00000    0.02223    1.17242
 49 Pt    0.00000   -0.02246   -0.37769
 50 Pt   -0.00000    0.02113   -0.43602
 51 O    -1.69195   -0.01395   -0.71832
 52 O     1.69195   -0.01395   -0.71832
 53 O     0.00000   -0.01205   -1.40525
 54 O     0.00000   -0.00201    1.77167
 55 Pt    0.00000   -0.01214    0.51453
 56 Pt   -0.00000    0.12497    0.65012
 57 O    -1.61392    0.01380    0.09063
 58 O     1.61392    0.01380    0.09063
 59 O     0.00000   -0.02121   -0.51778
 60 O     0.00000   -0.20169   -0.11440
 61 Pt   -0.00000    0.01205   -0.09099
 62 Pt   -0.00000    0.01720   -0.00747
 63 O    -0.01451   -0.00746    0.00219
 64 O     0.01451   -0.00746    0.00219
 65 O     0.00000   -0.00027   -0.00126
 66 O     0.00000   -0.01162   -0.00406
 67 Pt   -0.00000    0.00784    0.02435
 68 Pt   -0.00000    0.15121    0.01609
 69 O    -0.00894   -0.00063   -0.02938
 70 O     0.00894   -0.00063   -0.02938
 71 O    -0.00000    0.00770   -0.05037
 72 N     0.00000   -0.00711    0.16850
 73 N     0.00000   -0.03275    0.14231

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    3.427408   24.238654    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.379498   23.886740    ( 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  17:39:43  -3.41   +inf  -414.178663    2      1      
iter:   2  17:41:49  -3.56  -2.95  -414.759743    3      1      
iter:   3  17:43:54  -3.81  -2.22  -414.165094    3      1      
iter:   4  17:45:59  -4.58  -3.62  -414.160670    3      1      
iter:   5  17:48:04  -5.17  -4.03  -414.160932    2      1      
iter:   6  17:50:09  -5.43  -4.13  -414.159664    2      1      
iter:   7  17:52:14  -5.50  -4.15  -414.159758    2      1      
iter:   8  17:54:18  -5.85  -4.48  -414.160065    2      1      
iter:   9  17:56:23  -6.46  -4.83  -414.160007    2      1      
iter:  10  17:58:28  -7.09  -4.63  -414.160308    2      1      
iter:  11  18:00:32  -7.18  -4.65  -414.159897    2      1      
iter:  12  18:02:37  -7.40  -4.57  -414.160050    2      1      
iter:  13  18:04:42  -7.72  -5.08  -414.160071    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962666, -32.562354, 0.047843) |e|*Ang

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

Kinetic:        +18.730637
Potential:     -137.363186
External:        +0.000000
XC:            -305.248142
Entropy (-ST):   -1.565091
Local:          +10.503165
--------------------------
Free energy:   -414.942617
Extrapolated:  -414.160071

Fermi level: -6.49454

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56501    0.14872
  0   340     -6.54887    0.14057
  0   341     -6.54773    0.13999
  0   342     -6.51833    0.12427

  1   339     -6.46931    0.19434
  1   340     -6.42073    0.14375
  1   341     -6.38601    0.11222
  1   342     -6.37741    0.10516



Forces in eV/Ang:
  0 O     0.00000   -0.01741    1.17413
  1 Pt    0.00000   -0.00227   -0.37524
  2 Pt    0.00000   -0.01906   -0.43423
  3 O    -1.68393    0.00021   -0.71848
  4 O     1.68393    0.00021   -0.71848
  5 O     0.00000   -0.01160   -1.38613
  6 O     0.00000   -0.00261    1.76562
  7 Pt   -0.00000    0.01403    0.45081
  8 Pt    0.00000   -0.04005    0.75413
  9 O    -1.58083    0.00054    0.05159
 10 O     1.58083    0.00054    0.05159
 11 O     0.00000   -0.00888   -0.56553
 12 O    -0.00000    0.00834    0.13595
 13 Pt   -0.00000    0.27108   -0.03856
 14 Pt    0.00000   -0.01975    0.00758
 15 O    -0.00054    0.01021    0.00373
 16 O     0.00054    0.01021    0.00373
 17 O    -0.00000    0.00748   -1.01078
 18 O    -0.00000    0.00208    0.02584
 19 Pt    0.00000   -0.02411    0.12051
 20 Pt    0.00000   -0.02877    0.15634
 21 O    -0.20849    0.37625    0.22240
 22 O     0.20849    0.37625    0.22240
 23 O     0.00000   -0.01633   -0.08578
 24 O     0.00000   -0.00095    1.15012
 25 Pt   -0.00000    0.01662   -0.37834
 26 Pt    0.00000   -0.00016   -0.43461
 27 O    -1.69250    0.01342   -0.71773
 28 O     1.69250    0.01342   -0.71773
 29 O    -0.00000    0.04645   -1.38703
 30 O     0.00000   -0.00466    1.83094
 31 Pt   -0.00000    0.01905    0.51033
 32 Pt    0.00000   -0.14365    0.57563
 33 O    -1.61407   -0.01897    0.07068
 34 O     1.61407   -0.01897    0.07068
 35 O     0.00000   -0.03245   -0.52435
 36 O    -0.00000    0.21226   -0.11315
 37 Pt    0.00000   -0.30383   -0.04090
 38 Pt    0.00000   -0.00401   -0.01088
 39 O     0.01017    0.01151    0.01581
 40 O    -0.01017    0.01151    0.01581
 41 O     0.00000   -0.00332   -0.00063
 42 O    -0.00000    0.03140   -0.01624
 43 Pt    0.00000   -0.00882    0.06745
 44 Pt    0.00000   -0.07710    0.00977
 45 O    -0.17485   -0.36539    0.13982
 46 O     0.17485   -0.36539    0.13982
 47 O     0.00000   -0.02242   -0.05336
 48 O    -0.00000    0.02223    1.17209
 49 Pt    0.00000   -0.02246   -0.37740
 50 Pt   -0.00000    0.02113   -0.43595
 51 O    -1.69178   -0.01394   -0.71804
 52 O     1.69178   -0.01394   -0.71804
 53 O     0.00000   -0.01195   -1.40434
 54 O     0.00000   -0.00199    1.77319
 55 Pt    0.00000   -0.01221    0.51621
 56 Pt   -0.00000    0.12482    0.65185
 57 O    -1.61376    0.01377    0.09186
 58 O     1.61376    0.01377    0.09186
 59 O     0.00000   -0.02119   -0.51567
 60 O     0.00000   -0.20238   -0.11246
 61 Pt   -0.00000    0.01218   -0.08984
 62 Pt   -0.00000    0.01717   -0.00695
 63 O    -0.01462   -0.00747    0.00308
 64 O     0.01462   -0.00747    0.00308
 65 O     0.00000   -0.00030    0.00041
 66 O     0.00000   -0.01171   -0.00302
 67 Pt   -0.00000    0.00804    0.02515
 68 Pt   -0.00000    0.15144    0.01716
 69 O    -0.00937   -0.00065   -0.02940
 70 O     0.00937   -0.00065   -0.02940
 71 O    -0.00000    0.00790   -0.05043
 72 N     0.00000   -0.02464    0.21778
 73 N     0.00000   -0.03339    0.18903

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    3.426632   24.250527    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.379037   23.898439    ( 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  18:18:16  -3.34   +inf  -414.178330    3      1      
iter:   2  18:20:20  -3.67  -3.02  -414.593252    3      1      
iter:   3  18:22:23  -3.94  -2.28  -414.166423    3      1      
iter:   4  18:24:27  -4.78  -3.88  -414.164519    3      1      
iter:   5  18:26:29  -5.34  -4.01  -414.165147    2      1      
iter:   6  18:28:31  -5.42  -4.15  -414.163706    3      1      
iter:   7  18:30:33  -5.48  -4.05  -414.164197    2      1      
iter:   8  18:32:37  -5.92  -4.56  -414.164244    2      1      
iter:   9  18:34:40  -6.47  -4.44  -414.164238    2      1      
iter:  10  18:36:44  -7.08  -4.69  -414.164419    2      1      
iter:  11  18:38:46  -7.10  -4.73  -414.164203    2      1      
iter:  12  18:40:49  -7.33  -5.02  -414.164267    2      1      
iter:  13  18:42:52  -7.62  -5.10  -414.164243    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962708, -32.561178, 0.046247) |e|*Ang

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

Kinetic:        +18.748792
Potential:     -137.389841
External:        +0.000000
XC:            -305.243794
Entropy (-ST):   -1.565168
Local:          +10.503184
--------------------------
Free energy:   -414.946827
Extrapolated:  -414.164243

Fermi level: -6.49550

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56558    0.14853
  0   340     -6.54993    0.14063
  0   341     -6.54884    0.14006
  0   342     -6.51926    0.12425

  1   339     -6.47044    0.19453
  1   340     -6.42179    0.14384
  1   341     -6.38692    0.11218
  1   342     -6.37864    0.10538



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17389
  1 Pt    0.00000   -0.00227   -0.37492
  2 Pt    0.00000   -0.01909   -0.43414
  3 O    -1.68318    0.00019   -0.71866
  4 O     1.68318    0.00019   -0.71866
  5 O     0.00000   -0.01159   -1.38666
  6 O     0.00000   -0.00258    1.76847
  7 Pt   -0.00000    0.01404    0.45163
  8 Pt    0.00000   -0.04007    0.75500
  9 O    -1.58073    0.00057    0.05153
 10 O     1.58073    0.00057    0.05153
 11 O     0.00000   -0.00888   -0.56586
 12 O    -0.00000    0.00832    0.13559
 13 Pt   -0.00000    0.27222   -0.03807
 14 Pt    0.00000   -0.01978    0.00768
 15 O    -0.00064    0.01030    0.00350
 16 O     0.00064    0.01030    0.00350
 17 O    -0.00000    0.00796   -1.01330
 18 O    -0.00000    0.00209    0.02542
 19 Pt    0.00000   -0.02402    0.12161
 20 Pt    0.00000   -0.03123    0.15569
 21 O    -0.20944    0.37737    0.22329
 22 O     0.20944    0.37737    0.22329
 23 O     0.00000   -0.01662   -0.08581
 24 O     0.00000   -0.00093    1.14984
 25 Pt   -0.00000    0.01665   -0.37798
 26 Pt    0.00000   -0.00013   -0.43454
 27 O    -1.69173    0.01341   -0.71793
 28 O     1.69173    0.01341   -0.71793
 29 O    -0.00000    0.04639   -1.38764
 30 O     0.00000   -0.00468    1.83380
 31 Pt   -0.00000    0.01904    0.51119
 32 Pt    0.00000   -0.14345    0.57683
 33 O    -1.61397   -0.01898    0.07062
 34 O     1.61397   -0.01898    0.07062
 35 O     0.00000   -0.03246   -0.52464
 36 O    -0.00000    0.21287   -0.11389
 37 Pt    0.00000   -0.30508   -0.04056
 38 Pt    0.00000   -0.00398   -0.01092
 39 O     0.01011    0.01147    0.01563
 40 O    -0.01011    0.01147    0.01563
 41 O     0.00000   -0.00298    0.00187
 42 O    -0.00000    0.03142   -0.01670
 43 Pt    0.00000   -0.00894    0.06897
 44 Pt    0.00000   -0.07679    0.00854
 45 O    -0.17693   -0.36733    0.14342
 46 O     0.17693   -0.36733    0.14342
 47 O     0.00000   -0.02232   -0.05335
 48 O    -0.00000    0.02225    1.17183
 49 Pt    0.00000   -0.02249   -0.37709
 50 Pt   -0.00000    0.02113   -0.43593
 51 O    -1.69104   -0.01392   -0.71822
 52 O     1.69104   -0.01392   -0.71822
 53 O     0.00000   -0.01190   -1.40492
 54 O     0.00000   -0.00199    1.77588
 55 Pt    0.00000   -0.01222    0.51703
 56 Pt   -0.00000    0.12466    0.65297
 57 O    -1.61366    0.01374    0.09177
 58 O     1.61366    0.01374    0.09177
 59 O     0.00000   -0.02120   -0.51593
 60 O     0.00000   -0.20294   -0.11310
 61 Pt   -0.00000    0.01220   -0.08972
 62 Pt   -0.00000    0.01717   -0.00692
 63 O    -0.01471   -0.00752    0.00284
 64 O     0.01471   -0.00752    0.00284
 65 O     0.00000   -0.00042    0.00294
 66 O     0.00000   -0.01174   -0.00349
 67 Pt   -0.00000    0.00814    0.02558
 68 Pt   -0.00000    0.15182    0.01768
 69 O    -0.00999   -0.00075   -0.02886
 70 O     0.00999   -0.00075   -0.02886
 71 O    -0.00000    0.00808   -0.05018
 72 N    -0.00000    0.04553    0.15691
 73 N     0.00000   -0.02617    0.06826

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    3.426453   24.262102    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.378943   23.909226    ( 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  18:54:34  -3.37   +inf  -414.171330    3      1      
iter:   2  18:56:29  -3.96  -3.22  -414.345403    2      1      
iter:   3  18:58:24  -4.25  -2.48  -414.167450    2      1      
iter:   4  19:00:20  -4.99  -3.84  -414.167762    2      1      
iter:   5  19:02:22  -5.35  -4.14  -414.166545    3      1      
iter:   6  19:04:23  -5.36  -4.13  -414.167120    2      1      
iter:   7  19:06:26  -5.72  -4.30  -414.167004    2      1      
iter:   8  19:08:28  -5.98  -4.59  -414.167032    2      1      
iter:   9  19:10:29  -6.47  -4.61  -414.166995    2      1      
iter:  10  19:12:31  -7.01  -4.32  -414.166995    2      1      
iter:  11  19:14:33  -7.45  -4.80  -414.167100    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962778, -32.560033, 0.044993) |e|*Ang

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

Kinetic:        +18.672462
Potential:     -137.336124
External:        +0.000000
XC:            -305.225210
Entropy (-ST):   -1.565068
Local:          +10.504305
--------------------------
Free energy:   -414.949634
Extrapolated:  -414.167100

Fermi level: -6.49668

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56669    0.14849
  0   340     -6.55115    0.14064
  0   341     -6.55005    0.14007
  0   342     -6.52053    0.12430

  1   339     -6.47140    0.19428
  1   340     -6.42296    0.14383
  1   341     -6.38808    0.11217
  1   342     -6.38014    0.10563



Forces in eV/Ang:
  0 O     0.00000   -0.01740    1.17432
  1 Pt    0.00000   -0.00231   -0.37572
  2 Pt    0.00000   -0.01901   -0.43439
  3 O    -1.68345    0.00024   -0.71897
  4 O     1.68345    0.00024   -0.71897
  5 O     0.00000   -0.01153   -1.38778
  6 O     0.00000   -0.00256    1.76605
  7 Pt   -0.00000    0.01393    0.44982
  8 Pt    0.00000   -0.04017    0.75303
  9 O    -1.58069    0.00044    0.05048
 10 O     1.58069    0.00044    0.05048
 11 O     0.00000   -0.00887   -0.56740
 12 O    -0.00000    0.00821    0.13417
 13 Pt   -0.00000    0.27360   -0.03883
 14 Pt    0.00000   -0.01994    0.00793
 15 O    -0.00046    0.01023    0.00310
 16 O     0.00046    0.01023    0.00310
 17 O    -0.00000    0.00832   -1.01830
 18 O    -0.00000    0.00187    0.02497
 19 Pt    0.00000   -0.02378    0.12132
 20 Pt    0.00000   -0.03008    0.16105
 21 O    -0.20958    0.37857    0.22356
 22 O     0.20958    0.37857    0.22356
 23 O     0.00000   -0.01565   -0.08613
 24 O     0.00000   -0.00098    1.15031
 25 Pt   -0.00000    0.01670   -0.37879
 26 Pt    0.00000   -0.00022   -0.43474
 27 O    -1.69204    0.01339   -0.71823
 28 O     1.69204    0.01339   -0.71823
 29 O    -0.00000    0.04631   -1.38877
 30 O     0.00000   -0.00466    1.83148
 31 Pt   -0.00000    0.01906    0.50922
 32 Pt    0.00000   -0.14316    0.57498
 33 O    -1.61387   -0.01891    0.06952
 34 O     1.61387   -0.01891    0.06952
 35 O     0.00000   -0.03246   -0.52634
 36 O    -0.00000    0.21352   -0.11602
 37 Pt    0.00000   -0.30629   -0.04134
 38 Pt    0.00000   -0.00392   -0.01043
 39 O     0.01043    0.01152    0.01516
 40 O    -0.01043    0.01152    0.01516
 41 O     0.00000   -0.00298    0.00154
 42 O    -0.00000    0.03181   -0.01718
 43 Pt    0.00000   -0.00889    0.07230
 44 Pt    0.00000   -0.07901    0.01404
 45 O    -0.18021   -0.36937    0.15216
 46 O     0.18021   -0.36937    0.15216
 47 O     0.00000   -0.02299   -0.05349
 48 O    -0.00000    0.02225    1.17227
 49 Pt    0.00000   -0.02251   -0.37782
 50 Pt   -0.00000    0.02114   -0.43608
 51 O    -1.69129   -0.01394   -0.71854
 52 O     1.69129   -0.01394   -0.71854
 53 O     0.00000   -0.01189   -1.40594
 54 O     0.00000   -0.00203    1.77411
 55 Pt    0.00000   -0.01212    0.51515
 56 Pt   -0.00000    0.12446    0.65113
 57 O    -1.61368    0.01381    0.09062
 58 O     1.61368    0.01381    0.09062
 59 O     0.00000   -0.02120   -0.51759
 60 O     0.00000   -0.20345   -0.11519
 61 Pt   -0.00000    0.01198   -0.09073
 62 Pt   -0.00000    0.01726   -0.00669
 63 O    -0.01461   -0.00748    0.00241
 64 O     0.01461   -0.00748    0.00241
 65 O     0.00000   -0.00024    0.00215
 66 O     0.00000   -0.01189   -0.00408
 67 Pt   -0.00000    0.00782    0.02493
 68 Pt   -0.00000    0.15200    0.01689
 69 O    -0.00946   -0.00108   -0.02889
 70 O     0.00946   -0.00108   -0.02889
 71 O    -0.00000    0.00781   -0.05103
 72 N    -0.00000    0.03657    0.13623
 73 N     0.00000   -0.02035    0.11956

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    3.425957   24.274216    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.378450   23.920760    ( 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  19:31:35  -3.31   +inf  -414.168012    3      1      
iter:   2  19:33:39  -4.12  -3.39  -414.225156    3      1      
iter:   3  19:35:43  -4.46  -2.77  -414.175798    3      1      
iter:   4  19:37:47  -5.04  -3.44  -414.170905    3      1      
iter:   5  19:39:50  -5.45  -3.95  -414.170302    2      1      
iter:   6  19:41:52  -5.38  -4.27  -414.170456    3      1      
iter:   7  19:43:54  -5.79  -4.48  -414.170157    2      1      
iter:   8  19:45:57  -6.09  -4.46  -414.170264    2      1      
iter:   9  19:48:00  -6.37  -4.68  -414.170257    2      1      
iter:  10  19:50:04  -7.17  -5.01  -414.170194    2      1      
iter:  11  19:52:07  -7.57  -4.89  -414.170319    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962784, -32.558877, 0.043993) |e|*Ang

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

Kinetic:        +18.626414
Potential:     -137.313130
External:        +0.000000
XC:            -305.207261
Entropy (-ST):   -1.565126
Local:          +10.506221
--------------------------
Free energy:   -414.952882
Extrapolated:  -414.170319

Fermi level: -6.49780

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56784    0.14851
  0   340     -6.55214    0.14058
  0   341     -6.55103    0.14001
  0   342     -6.52177    0.12437

  1   339     -6.47241    0.19417
  1   340     -6.42398    0.14374
  1   341     -6.38914    0.11212
  1   342     -6.38158    0.10590



Forces in eV/Ang:
  0 O     0.00000   -0.01744    1.17455
  1 Pt    0.00000   -0.00232   -0.37529
  2 Pt    0.00000   -0.01900   -0.43428
  3 O    -1.68396    0.00026   -0.71848
  4 O     1.68396    0.00026   -0.71848
  5 O     0.00000   -0.01150   -1.38642
  6 O     0.00000   -0.00259    1.76482
  7 Pt   -0.00000    0.01394    0.45025
  8 Pt    0.00000   -0.04019    0.75318
  9 O    -1.58081    0.00049    0.05107
 10 O     1.58081    0.00049    0.05107
 11 O     0.00000   -0.00886   -0.56654
 12 O    -0.00000    0.00824    0.13507
 13 Pt   -0.00000    0.27464   -0.03894
 14 Pt    0.00000   -0.02010    0.00773
 15 O    -0.00046    0.01019    0.00324
 16 O     0.00046    0.01019    0.00324
 17 O    -0.00000    0.00853   -1.02311
 18 O    -0.00000    0.00178    0.02504
 19 Pt    0.00000   -0.02397    0.12177
 20 Pt    0.00000   -0.03127    0.16227
 21 O    -0.20976    0.37955    0.22390
 22 O     0.20976    0.37955    0.22390
 23 O     0.00000   -0.01575   -0.08639
 24 O     0.00000   -0.00095    1.15051
 25 Pt   -0.00000    0.01672   -0.37831
 26 Pt    0.00000   -0.00023   -0.43463
 27 O    -1.69257    0.01339   -0.71774
 28 O     1.69257    0.01339   -0.71774
 29 O    -0.00000    0.04624   -1.38752
 30 O     0.00000   -0.00463    1.83034
 31 Pt   -0.00000    0.01909    0.50965
 32 Pt    0.00000   -0.14294    0.57547
 33 O    -1.61398   -0.01895    0.07012
 34 O     1.61398   -0.01895    0.07012
 35 O     0.00000   -0.03244   -0.52544
 36 O    -0.00000    0.21416   -0.11567
 37 Pt    0.00000   -0.30766   -0.04173
 38 Pt    0.00000   -0.00372   -0.01085
 39 O     0.01040    0.01150    0.01532
 40 O    -0.01040    0.01150    0.01532
 41 O     0.00000   -0.00265   -0.00052
 42 O    -0.00000    0.03179   -0.01696
 43 Pt    0.00000   -0.00878    0.07399
 44 Pt    0.00000   -0.07933    0.01410
 45 O    -0.18208   -0.37114    0.15573
 46 O     0.18208   -0.37114    0.15573
 47 O     0.00000   -0.02295   -0.05376
 48 O    -0.00000    0.02225    1.17248
 49 Pt    0.00000   -0.02251   -0.37740
 50 Pt   -0.00000    0.02114   -0.43596
 51 O    -1.69180   -0.01397   -0.71802
 52 O     1.69180   -0.01397   -0.71802
 53 O     0.00000   -0.01185   -1.40466
 54 O     0.00000   -0.00203    1.77310
 55 Pt    0.00000   -0.01216    0.51565
 56 Pt   -0.00000    0.12428    0.65162
 57 O    -1.61376    0.01378    0.09124
 58 O     1.61376    0.01378    0.09124
 59 O     0.00000   -0.02124   -0.51668
 60 O     0.00000   -0.20412   -0.11447
 61 Pt   -0.00000    0.01226   -0.09136
 62 Pt   -0.00000    0.01722   -0.00683
 63 O    -0.01473   -0.00742    0.00259
 64 O     0.01473   -0.00742    0.00259
 65 O     0.00000   -0.00016   -0.00055
 66 O     0.00000   -0.01178   -0.00407
 67 Pt   -0.00000    0.00794    0.02508
 68 Pt   -0.00000    0.15204    0.01686
 69 O    -0.00923   -0.00122   -0.02893
 70 O     0.00923   -0.00122   -0.02893
 71 O    -0.00000    0.00781   -0.05133
 72 N     0.00000   -0.03422    0.12258
 73 N     0.00000   -0.03186    0.05405

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    3.425254   24.286436    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.377882   23.932530    ( 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  20:13:58  -3.29   +inf  -414.179926    2      1      
iter:   2  20:16:03  -3.78  -3.10  -414.446387    3      1      
iter:   3  20:18:08  -4.10  -2.38  -414.179290    2      1      
iter:   4  20:20:12  -4.75  -3.52  -414.173857    3      1      
iter:   5  20:22:08  -5.32  -4.08  -414.173556    2      1      
iter:   6  20:24:02  -5.38  -4.09  -414.172783    3      1      
iter:   7  20:25:58  -5.36  -3.98  -414.172854    2      1      
iter:   8  20:27:52  -5.95  -4.56  -414.173079    2      1      
iter:   9  20:29:47  -6.70  -4.85  -414.173123    2      1      
iter:  10  20:31:41  -6.99  -4.93  -414.172934    2      1      
iter:  11  20:33:37  -7.51  -4.88  -414.173134    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962783, -32.557618, 0.042454) |e|*Ang

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

Kinetic:        +18.603887
Potential:     -137.306737
External:        +0.000000
XC:            -305.194850
Entropy (-ST):   -1.565160
Local:          +10.507146
--------------------------
Free energy:   -414.955714
Extrapolated:  -414.173134

Fermi level: -6.49897

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56885    0.14843
  0   340     -6.55335    0.14060
  0   341     -6.55226    0.14004
  0   342     -6.52299    0.12439

  1   339     -6.47357    0.19415
  1   340     -6.42516    0.14374
  1   341     -6.39029    0.11209
  1   342     -6.38307    0.10615



Forces in eV/Ang:
  0 O     0.00000   -0.01742    1.17460
  1 Pt    0.00000   -0.00236   -0.37485
  2 Pt    0.00000   -0.01898   -0.43395
  3 O    -1.68365    0.00027   -0.71830
  4 O     1.68365    0.00027   -0.71830
  5 O     0.00000   -0.01153   -1.38613
  6 O     0.00000   -0.00266    1.76641
  7 Pt   -0.00000    0.01390    0.45135
  8 Pt    0.00000   -0.04039    0.75400
  9 O    -1.58100    0.00038    0.05209
 10 O     1.58100    0.00038    0.05209
 11 O     0.00000   -0.00891   -0.56520
 12 O    -0.00000    0.00823    0.13643
 13 Pt   -0.00000    0.27595   -0.03816
 14 Pt    0.00000   -0.01986    0.00845
 15 O    -0.00039    0.01036    0.00381
 16 O     0.00039    0.01036    0.00381
 17 O    -0.00000    0.00910   -1.02769
 18 O    -0.00000    0.00178    0.02579
 19 Pt    0.00000   -0.02342    0.12257
 20 Pt    0.00000   -0.03259    0.16375
 21 O    -0.21015    0.38051    0.22440
 22 O     0.21015    0.38051    0.22440
 23 O     0.00000   -0.01562   -0.08728
 24 O     0.00000   -0.00099    1.15056
 25 Pt   -0.00000    0.01678   -0.37794
 26 Pt    0.00000   -0.00025   -0.43433
 27 O    -1.69227    0.01341   -0.71756
 28 O     1.69227    0.01341   -0.71756
 29 O    -0.00000    0.04620   -1.38727
 30 O     0.00000   -0.00454    1.83184
 31 Pt   -0.00000    0.01906    0.51086
 32 Pt    0.00000   -0.14258    0.57645
 33 O    -1.61409   -0.01893    0.07116
 34 O     1.61409   -0.01893    0.07116
 35 O     0.00000   -0.03242   -0.52423
 36 O    -0.00000    0.21470   -0.11476
 37 Pt    0.00000   -0.30873   -0.04101
 38 Pt    0.00000   -0.00401   -0.00992
 39 O     0.01049    0.01147    0.01601
 40 O    -0.01049    0.01147    0.01601
 41 O     0.00000   -0.00270    0.00038
 42 O    -0.00000    0.03228   -0.01658
 43 Pt    0.00000   -0.00908    0.07591
 44 Pt    0.00000   -0.07936    0.01535
 45 O    -0.18389   -0.37296    0.16110
 46 O     0.18389   -0.37296    0.16110
 47 O     0.00000   -0.02293   -0.05456
 48 O    -0.00000    0.02229    1.17252
 49 Pt    0.00000   -0.02253   -0.37693
 50 Pt   -0.00000    0.02115   -0.43561
 51 O    -1.69150   -0.01399   -0.71782
 52 O     1.69150   -0.01399   -0.71782
 53 O     0.00000   -0.01179   -1.40433
 54 O     0.00000   -0.00204    1.77474
 55 Pt    0.00000   -0.01208    0.51670
 56 Pt   -0.00000    0.12413    0.65239
 57 O    -1.61401    0.01388    0.09221
 58 O     1.61401    0.01388    0.09221
 59 O     0.00000   -0.02121   -0.51545
 60 O     0.00000   -0.20464   -0.11384
 61 Pt   -0.00000    0.01193   -0.09056
 62 Pt   -0.00000    0.01727   -0.00622
 63 O    -0.01459   -0.00757    0.00322
 64 O     0.01459   -0.00757    0.00322
 65 O     0.00000   -0.00015    0.00158
 66 O     0.00000   -0.01221   -0.00357
 67 Pt   -0.00000    0.00770    0.02506
 68 Pt   -0.00000    0.15207    0.01740
 69 O    -0.00939   -0.00130   -0.02888
 70 O     0.00939   -0.00130   -0.02888
 71 O    -0.00000    0.00772   -0.05195
 72 N     0.00000   -0.08081    0.10418
 73 N     0.00000   -0.02880    0.14334

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    3.424015   24.298795    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.376982   23.944959    ( 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  20:50:52  -3.26   +inf  -414.180733    3      1      
iter:   2  20:52:57  -3.89  -3.21  -414.338606    3      1      
iter:   3  20:55:02  -4.21  -2.50  -414.182061    2      1      
iter:   4  20:57:07  -4.88  -3.59  -414.177969    3      1      
iter:   5  20:59:11  -5.41  -4.07  -414.177547    2      1      
iter:   6  21:01:16  -5.36  -4.23  -414.177173    3      1      
iter:   7  21:03:22  -5.41  -3.94  -414.177217    2      1      
iter:   8  21:05:27  -5.96  -4.61  -414.177351    2      1      
iter:   9  21:07:32  -6.60  -4.74  -414.177455    2      1      
iter:  10  21:09:36  -7.03  -4.75  -414.177141    2      1      
iter:  11  21:11:41  -7.48  -4.74  -414.177428    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962807, -32.556140, 0.040244) |e|*Ang

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

Kinetic:        +18.655227
Potential:     -137.361334
External:        +0.000000
XC:            -305.195537
Entropy (-ST):   -1.565180
Local:          +10.506806
--------------------------
Free energy:   -414.960018
Extrapolated:  -414.177428

Fermi level: -6.50070

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57027    0.14827
  0   340     -6.55513    0.14062
  0   341     -6.55408    0.14008
  0   342     -6.52471    0.12439

  1   339     -6.47536    0.19422
  1   340     -6.42696    0.14382
  1   341     -6.39196    0.11205
  1   342     -6.38506    0.10637



Forces in eV/Ang:
  0 O     0.00000   -0.01744    1.17435
  1 Pt    0.00000   -0.00232   -0.37507
  2 Pt    0.00000   -0.01901   -0.43453
  3 O    -1.68349    0.00026   -0.71856
  4 O     1.68349    0.00026   -0.71856
  5 O     0.00000   -0.01158   -1.38639
  6 O     0.00000   -0.00285    1.76731
  7 Pt   -0.00000    0.01398    0.45162
  8 Pt    0.00000   -0.04045    0.75449
  9 O    -1.58097    0.00051    0.05190
 10 O     1.58097    0.00051    0.05190
 11 O     0.00000   -0.00896   -0.56504
 12 O    -0.00000    0.00836    0.13643
 13 Pt   -0.00000    0.27688   -0.03766
 14 Pt    0.00000   -0.01972    0.00844
 15 O    -0.00053    0.01042    0.00386
 16 O     0.00053    0.01042    0.00386
 17 O    -0.00000    0.00952   -1.03158
 18 O    -0.00000    0.00183    0.02544
 19 Pt    0.00000   -0.02343    0.12434
 20 Pt    0.00000   -0.03446    0.16195
 21 O    -0.21097    0.38134    0.22539
 22 O     0.21097    0.38134    0.22539
 23 O     0.00000   -0.01580   -0.08775
 24 O     0.00000   -0.00094    1.15030
 25 Pt   -0.00000    0.01678   -0.37820
 26 Pt    0.00000   -0.00018   -0.43495
 27 O    -1.69209    0.01340   -0.71784
 28 O     1.69209    0.01340   -0.71784
 29 O    -0.00000    0.04619   -1.38770
 30 O     0.00000   -0.00443    1.83277
 31 Pt   -0.00000    0.01911    0.51132
 32 Pt    0.00000   -0.14239    0.57734
 33 O    -1.61406   -0.01899    0.07102
 34 O     1.61406   -0.01899    0.07102
 35 O     0.00000   -0.03235   -0.52384
 36 O    -0.00000    0.21547   -0.11542
 37 Pt    0.00000   -0.30993   -0.04097
 38 Pt    0.00000   -0.00402   -0.01040
 39 O     0.01014    0.01149    0.01602
 40 O    -0.01014    0.01149    0.01602
 41 O     0.00000   -0.00231    0.00244
 42 O    -0.00000    0.03206   -0.01705
 43 Pt    0.00000   -0.00928    0.07835
 44 Pt    0.00000   -0.07968    0.01471
 45 O    -0.18652   -0.37482    0.16558
 46 O     0.18652   -0.37482    0.16558
 47 O     0.00000   -0.02314   -0.05483
 48 O    -0.00000    0.02226    1.17229
 49 Pt    0.00000   -0.02257   -0.37722
 50 Pt   -0.00000    0.02110   -0.43624
 51 O    -1.69137   -0.01398   -0.71810
 52 O     1.69137   -0.01398   -0.71810
 53 O     0.00000   -0.01173   -1.40462
 54 O     0.00000   -0.00197    1.77540
 55 Pt    0.00000   -0.01222    0.51711
 56 Pt   -0.00000    0.12401    0.65317
 57 O    -1.61388    0.01381    0.09203
 58 O     1.61388    0.01381    0.09203
 59 O     0.00000   -0.02123   -0.51530
 60 O     0.00000   -0.20555   -0.11409
 61 Pt   -0.00000    0.01214   -0.09043
 62 Pt   -0.00000    0.01714   -0.00609
 63 O    -0.01482   -0.00765    0.00320
 64 O     0.01482   -0.00765    0.00320
 65 O     0.00000   -0.00025    0.00403
 66 O     0.00000   -0.01202   -0.00409
 67 Pt   -0.00000    0.00796    0.02647
 68 Pt   -0.00000    0.15251    0.01826
 69 O    -0.01013   -0.00130   -0.02838
 70 O     0.01013   -0.00130   -0.02838
 71 O    -0.00000    0.00801   -0.05197
 72 N     0.00000   -0.02955    0.18098
 73 N     0.00000   -0.05167    0.15079

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    3.422713   24.311652    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.375966   23.957601    ( 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  21:27:25  -3.23   +inf  -414.179473    2      1      
iter:   2  21:29:30  -4.03  -3.36  -414.252251    3      1      
iter:   3  21:31:35  -4.38  -2.70  -414.186244    3      1      
iter:   4  21:33:40  -4.98  -3.49  -414.181752    3      1      
iter:   5  21:35:45  -5.39  -4.05  -414.181245    2      1      
iter:   6  21:37:50  -5.27  -4.13  -414.181384    3      1      
iter:   7  21:39:55  -5.80  -4.38  -414.181130    2      1      
iter:   8  21:42:01  -6.07  -4.57  -414.181243    2      1      
iter:   9  21:44:06  -6.32  -4.80  -414.181148    2      1      
iter:  10  21:46:11  -7.05  -4.91  -414.181337    2      1      
iter:  11  21:48:17  -7.41  -4.72  -414.181152    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962843, -32.555109, 0.039362) |e|*Ang

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

Kinetic:        +18.658397
Potential:     -137.372769
External:        +0.000000
XC:            -305.190105
Entropy (-ST):   -1.565538
Local:          +10.506094
--------------------------
Free energy:   -414.963921
Extrapolated:  -414.181152

Fermi level: -6.50106

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57060    0.14826
  0   340     -6.55546    0.14061
  0   341     -6.55440    0.14007
  0   342     -6.52524    0.12448

  1   339     -6.47587    0.19439
  1   340     -6.42723    0.14373
  1   341     -6.39234    0.11207
  1   342     -6.38579    0.10667



Forces in eV/Ang:
  0 O     0.00000   -0.01741    1.17457
  1 Pt    0.00000   -0.00232   -0.37415
  2 Pt    0.00000   -0.01897   -0.43320
  3 O    -1.68262    0.00027   -0.71840
  4 O     1.68262    0.00027   -0.71840
  5 O     0.00000   -0.01152   -1.38665
  6 O     0.00000   -0.00258    1.76959
  7 Pt   -0.00000    0.01385    0.45217
  8 Pt    0.00000   -0.04041    0.75485
  9 O    -1.58113    0.00041    0.05154
 10 O     1.58113    0.00041    0.05154
 11 O     0.00000   -0.00889   -0.56697
 12 O    -0.00000    0.00817    0.13510
 13 Pt   -0.00000    0.27807   -0.03919
 14 Pt    0.00000   -0.02027    0.00732
 15 O    -0.00075    0.01037    0.00299
 16 O     0.00075    0.01037    0.00299
 17 O    -0.00000    0.00980   -1.03626
 18 O    -0.00000    0.00161    0.02494
 19 Pt    0.00000   -0.02343    0.12243
 20 Pt    0.00000   -0.03574    0.16266
 21 O    -0.21114    0.38268    0.22504
 22 O     0.21114    0.38268    0.22504
 23 O     0.00000   -0.01577   -0.08781
 24 O     0.00000   -0.00100    1.15051
 25 Pt   -0.00000    0.01685   -0.37718
 26 Pt    0.00000   -0.00027   -0.43360
 27 O    -1.69122    0.01341   -0.71766
 28 O     1.69122    0.01341   -0.71766
 29 O    -0.00000    0.04609   -1.38796
 30 O     0.00000   -0.00459    1.83503
 31 Pt   -0.00000    0.01905    0.51146
 32 Pt    0.00000   -0.14219    0.57784
 33 O    -1.61424   -0.01896    0.07056
 34 O     1.61424   -0.01896    0.07056
 35 O     0.00000   -0.03240   -0.52593
 36 O    -0.00000    0.21583   -0.11689
 37 Pt    0.00000   -0.31113   -0.04229
 38 Pt    0.00000   -0.00365   -0.01118
 39 O     0.01035    0.01139    0.01523
 40 O    -0.01035    0.01139    0.01523
 41 O     0.00000   -0.00208   -0.00030
 42 O    -0.00000    0.03239   -0.01732
 43 Pt    0.00000   -0.00892    0.07796
 44 Pt    0.00000   -0.07972    0.01372
 45 O    -0.18798   -0.37667    0.16913
 46 O     0.18798   -0.37667    0.16913
 47 O     0.00000   -0.02285   -0.05499
 48 O    -0.00000    0.02229    1.17243
 49 Pt    0.00000   -0.02263   -0.37624
 50 Pt   -0.00000    0.02116   -0.43493
 51 O    -1.69047   -0.01399   -0.71793
 52 O     1.69047   -0.01399   -0.71793
 53 O     0.00000   -0.01170   -1.40487
 54 O     0.00000   -0.00209    1.77811
 55 Pt    0.00000   -0.01202    0.51747
 56 Pt   -0.00000    0.12378    0.65384
 57 O    -1.61415    0.01387    0.09158
 58 O     1.61415    0.01387    0.09158
 59 O     0.00000   -0.02125   -0.51705
 60 O     0.00000   -0.20567   -0.11557
 61 Pt   -0.00000    0.01209   -0.09233
 62 Pt   -0.00000    0.01732   -0.00751
 63 O    -0.01494   -0.00749    0.00245
 64 O     0.01494   -0.00749    0.00245
 65 O     0.00000   -0.00016   -0.00044
 66 O     0.00000   -0.01210   -0.00446
 67 Pt   -0.00000    0.00767    0.02414
 68 Pt   -0.00000    0.15245    0.01584
 69 O    -0.00940   -0.00170   -0.02896
 70 O     0.00940   -0.00170   -0.02896
 71 O    -0.00000    0.00777   -0.05225
 72 N    -0.00000    0.02381    0.14558
 73 N     0.00000   -0.06861    0.07149

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    3.423846   24.323676    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.376007   23.966579    ( 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  22:01:55  -3.36   +inf  -414.198908    3      1      
iter:   2  22:03:50  -3.60  -2.98  -414.724956    3      1      
iter:   3  22:05:45  -3.90  -2.24  -414.186537    2      1      
iter:   4  22:07:39  -4.62  -3.60  -414.185113    2      1      
iter:   5  22:09:34  -4.99  -4.01  -414.183938    2      1      
iter:   6  22:11:36  -5.19  -3.97  -414.185073    3      1      
iter:   7  22:13:39  -5.39  -4.00  -414.183880    2      1      
iter:   8  22:15:42  -5.75  -4.37  -414.184123    2      1      
iter:   9  22:17:44  -6.23  -4.32  -414.183977    2      1      
iter:  10  22:19:46  -6.87  -4.59  -414.183996    2      1      
iter:  11  22:21:47  -6.87  -4.48  -414.184124    2      1      
iter:  12  22:23:49  -7.02  -4.66  -414.183926    2      1      
iter:  13  22:25:52  -7.30  -4.79  -414.184153    2      1      
iter:  14  22:27:54  -7.32  -4.72  -414.184080    2      1      
iter:  15  22:29:53  -7.24  -4.93  -414.184063    2      1      
iter:  16  22:31:51  -7.43  -4.90  -414.184015    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962869, -32.554552, 0.038496) |e|*Ang

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

Kinetic:        +18.333339
Potential:     -137.125701
External:        +0.000000
XC:            -305.115182
Entropy (-ST):   -1.565443
Local:          +10.506250
--------------------------
Free energy:   -414.966737
Extrapolated:  -414.184015

Fermi level: -6.50224

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57179    0.14827
  0   340     -6.55656    0.14057
  0   341     -6.55551    0.14003
  0   342     -6.52648    0.12451

  1   339     -6.47689    0.19421
  1   340     -6.42838    0.14370
  1   341     -6.39347    0.11202
  1   342     -6.38719    0.10685



Forces in eV/Ang:
  0 O     0.00000   -0.01744    1.17434
  1 Pt    0.00000   -0.00240   -0.37495
  2 Pt    0.00000   -0.01903   -0.43402
  3 O    -1.68349    0.00024   -0.71835
  4 O     1.68349    0.00024   -0.71835
  5 O     0.00000   -0.01150   -1.38686
  6 O     0.00000   -0.00271    1.76665
  7 Pt   -0.00000    0.01399    0.45113
  8 Pt    0.00000   -0.04044    0.75410
  9 O    -1.58098    0.00050    0.05160
 10 O     1.58098    0.00050    0.05160
 11 O     0.00000   -0.00889   -0.56640
 12 O    -0.00000    0.00851    0.13549
 13 Pt   -0.00000    0.27879   -0.03866
 14 Pt    0.00000   -0.01981    0.00754
 15 O    -0.00070    0.01046    0.00373
 16 O     0.00070    0.01046    0.00373
 17 O    -0.00000    0.00992   -1.03996
 18 O    -0.00000    0.00178    0.02559
 19 Pt    0.00000   -0.02348    0.12375
 20 Pt    0.00000   -0.03653    0.16394
 21 O    -0.21141    0.38280    0.22475
 22 O     0.21141    0.38280    0.22475
 23 O     0.00000   -0.01623   -0.08715
 24 O     0.00000   -0.00094    1.15029
 25 Pt   -0.00000    0.01687   -0.37801
 26 Pt    0.00000   -0.00019   -0.43447
 27 O    -1.69207    0.01340   -0.71765
 28 O     1.69207    0.01340   -0.71765
 29 O    -0.00000    0.04603   -1.38832
 30 O     0.00000   -0.00453    1.83208
 31 Pt   -0.00000    0.01905    0.51079
 32 Pt    0.00000   -0.14212    0.57736
 33 O    -1.61406   -0.01899    0.07073
 34 O     1.61406   -0.01899    0.07073
 35 O     0.00000   -0.03244   -0.52525
 36 O    -0.00000    0.21606   -0.11673
 37 Pt    0.00000   -0.31198   -0.04228
 38 Pt    0.00000   -0.00398   -0.01112
 39 O     0.01009    0.01149    0.01592
 40 O    -0.01009    0.01149    0.01592
 41 O     0.00000   -0.00195   -0.00085
 42 O    -0.00000    0.03249   -0.01717
 43 Pt    0.00000   -0.00932    0.07912
 44 Pt    0.00000   -0.07936    0.01282
 45 O    -0.18865   -0.37746    0.16868
 46 O     0.18865   -0.37746    0.16868
 47 O     0.00000   -0.02265   -0.05451
 48 O    -0.00000    0.02227    1.17227
 49 Pt    0.00000   -0.02258   -0.37708
 50 Pt   -0.00000    0.02113   -0.43584
 51 O    -1.69135   -0.01396   -0.71789
 52 O     1.69135   -0.01396   -0.71789
 53 O     0.00000   -0.01166   -1.40515
 54 O     0.00000   -0.00201    1.77468
 55 Pt    0.00000   -0.01216    0.51653
 56 Pt   -0.00000    0.12374    0.65299
 57 O    -1.61395    0.01382    0.09165
 58 O     1.61395    0.01382    0.09165
 59 O     0.00000   -0.02120   -0.51665
 60 O     0.00000   -0.20629   -0.11520
 61 Pt   -0.00000    0.01224   -0.09212
 62 Pt   -0.00000    0.01719   -0.00697
 63 O    -0.01496   -0.00768    0.00312
 64 O     0.01496   -0.00768    0.00312
 65 O     0.00000   -0.00021    0.00083
 66 O     0.00000   -0.01236   -0.00408
 67 Pt   -0.00000    0.00811    0.02477
 68 Pt   -0.00000    0.15245    0.01670
 69 O    -0.00980   -0.00137   -0.02939
 70 O     0.00980   -0.00137   -0.02939
 71 O    -0.00000    0.00798   -0.05186
 72 N     0.00000   -0.27206    0.07340
 73 N    -0.00000    0.18416    0.21450

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    3.419846   24.337542    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.375376   23.981450    ( 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  22:44:28  -3.10   +inf  -414.235131    4      1      
iter:   2  22:46:32  -3.30  -2.83  -415.162775    3      1      
iter:   3  22:48:37  -3.63  -2.11  -414.192895    3      1      
iter:   4  22:50:42  -4.35  -3.20  -414.193902    3      1      
iter:   5  22:52:47  -5.09  -3.73  -414.191135    3      1      
iter:   6  22:54:52  -5.02  -3.85  -414.189129    3      1      
iter:   7  22:56:57  -5.52  -3.98  -414.190232    3      1      
iter:   8  22:59:02  -5.20  -3.92  -414.189985    3      1      
iter:   9  23:01:07  -5.84  -4.42  -414.189794    2      1      
iter:  10  23:03:12  -5.96  -4.44  -414.190139    2      1      
iter:  11  23:05:17  -6.32  -4.40  -414.189629    2      1      
iter:  12  23:07:22  -6.70  -4.24  -414.189887    2      1      
iter:  13  23:09:27  -6.85  -4.39  -414.189868    2      1      
iter:  14  23:11:33  -6.95  -4.78  -414.189758    2      1      
iter:  15  23:13:38  -7.21  -4.60  -414.189760    2      1      
iter:  16  23:15:43  -7.19  -4.75  -414.189716    2      1      
iter:  17  23:17:41  -7.27  -4.84  -414.189869    2      1      
iter:  18  23:19:39  -7.54  -5.04  -414.189800    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962900, -32.553213, 0.036472) |e|*Ang

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

Kinetic:        +18.827501
Potential:     -137.522699
External:        +0.000000
XC:            -305.218026
Entropy (-ST):   -1.565462
Local:          +10.506156
--------------------------
Free energy:   -414.972531
Extrapolated:  -414.189800

Fermi level: -6.50357

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57277    0.14809
  0   340     -6.55803    0.14064
  0   341     -6.55702    0.14012
  0   342     -6.52785    0.12453

  1   339     -6.47828    0.19427
  1   340     -6.42981    0.14379
  1   341     -6.39478    0.11200
  1   342     -6.38885    0.10711



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17391
  1 Pt    0.00000   -0.00243   -0.37494
  2 Pt    0.00000   -0.01905   -0.43383
  3 O    -1.68258    0.00023   -0.71860
  4 O     1.68258    0.00023   -0.71860
  5 O     0.00000   -0.01147   -1.38693
  6 O     0.00000   -0.00268    1.76975
  7 Pt   -0.00000    0.01401    0.45196
  8 Pt    0.00000   -0.04049    0.75470
  9 O    -1.58093    0.00049    0.05141
 10 O     1.58093    0.00049    0.05141
 11 O     0.00000   -0.00890   -0.56610
 12 O    -0.00000    0.00848    0.13576
 13 Pt   -0.00000    0.27999   -0.03774
 14 Pt    0.00000   -0.01995    0.00813
 15 O    -0.00085    0.01047    0.00352
 16 O     0.00085    0.01047    0.00352
 17 O    -0.00000    0.01038   -1.04247
 18 O    -0.00000    0.00145    0.02525
 19 Pt    0.00000   -0.02314    0.12763
 20 Pt    0.00000   -0.04083    0.16014
 21 O    -0.21205    0.38445    0.22723
 22 O     0.21205    0.38445    0.22723
 23 O     0.00000   -0.01555   -0.08628
 24 O     0.00000   -0.00093    1.14986
 25 Pt   -0.00000    0.01691   -0.37794
 26 Pt    0.00000   -0.00017   -0.43429
 27 O    -1.69114    0.01340   -0.71791
 28 O     1.69114    0.01340   -0.71791
 29 O    -0.00000    0.04593   -1.38843
 30 O     0.00000   -0.00456    1.83521
 31 Pt   -0.00000    0.01906    0.51164
 32 Pt    0.00000   -0.14189    0.57822
 33 O    -1.61399   -0.01896    0.07053
 34 O     1.61399   -0.01896    0.07053
 35 O     0.00000   -0.03247   -0.52503
 36 O    -0.00000    0.21672   -0.11711
 37 Pt    0.00000   -0.31323   -0.04176
 38 Pt    0.00000   -0.00381   -0.01041
 39 O     0.01003    0.01147    0.01558
 40 O    -0.01003    0.01147    0.01558
 41 O     0.00000   -0.00165    0.00150
 42 O    -0.00000    0.03307   -0.01759
 43 Pt    0.00000   -0.00927    0.08439
 44 Pt    0.00000   -0.07811    0.01373
 45 O    -0.19110   -0.37974    0.17593
 46 O     0.19110   -0.37974    0.17593
 47 O     0.00000   -0.02338   -0.05371
 48 O    -0.00000    0.02228    1.17184
 49 Pt    0.00000   -0.02258   -0.37706
 50 Pt   -0.00000    0.02114   -0.43571
 51 O    -1.69044   -0.01395   -0.71815
 52 O     1.69044   -0.01395   -0.71815
 53 O     0.00000   -0.01160   -1.40526
 54 O     0.00000   -0.00200    1.77776
 55 Pt    0.00000   -0.01219    0.51737
 56 Pt   -0.00000    0.12357    0.65378
 57 O    -1.61393    0.01380    0.09144
 58 O     1.61393    0.01380    0.09144
 59 O     0.00000   -0.02118   -0.51636
 60 O     0.00000   -0.20686   -0.11545
 61 Pt   -0.00000    0.01218   -0.09156
 62 Pt   -0.00000    0.01716   -0.00602
 63 O    -0.01515   -0.00767    0.00294
 64 O     0.01515   -0.00767    0.00294
 65 O     0.00000   -0.00021    0.00353
 66 O     0.00000   -0.01256   -0.00462
 67 Pt   -0.00000    0.00784    0.02778
 68 Pt   -0.00000    0.15300    0.02102
 69 O    -0.00978   -0.00192   -0.02718
 70 O     0.00978   -0.00192   -0.02718
 71 O    -0.00000    0.00804   -0.05066
 72 N    -0.00000    0.22574    0.26029
 73 N     0.00000   -0.23375    0.07346

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    3.415535   24.351390    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.374797   23.996593    ( 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  23:24:11  -3.09   +inf  -414.208882    4      1      
iter:   2  23:26:15  -3.88  -3.19  -414.204311    3      1      
iter:   3  23:28:19  -4.30  -2.93  -414.212668    3      1      
iter:   4  23:30:24  -4.76  -2.94  -414.194234    3      1      
iter:   5  23:32:25  -5.19  -3.96  -414.193082    3      1      
iter:   6  23:34:21  -4.86  -3.79  -414.192062    3      1      
iter:   7  23:36:15  -4.96  -3.99  -414.192440    3      1      
iter:   8  23:38:10  -5.34  -4.18  -414.192396    3      1      
iter:   9  23:40:05  -6.34  -4.30  -414.192418    2      1      
iter:  10  23:42:00  -6.78  -4.50  -414.192378    2      1      
iter:  11  23:43:55  -6.54  -4.31  -414.192256    2      1      
iter:  12  23:45:50  -6.58  -4.45  -414.192551    2      1      
iter:  13  23:47:45  -6.68  -4.60  -414.192250    3      1      
iter:  14  23:49:46  -6.85  -4.85  -414.192356    2      1      
iter:  15  23:51:48  -7.20  -4.98  -414.192330    2      1      
iter:  16  23:53:47  -7.69  -4.98  -414.192322    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962917, -32.551997, 0.035430) |e|*Ang

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

Kinetic:        +19.473785
Potential:     -138.049541
External:        +0.000000
XC:            -305.338067
Entropy (-ST):   -1.565499
Local:          +10.504250
--------------------------
Free energy:   -414.975071
Extrapolated:  -414.192322

Fermi level: -6.50466

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57387    0.14810
  0   340     -6.55899    0.14057
  0   341     -6.55797    0.14005
  0   342     -6.52909    0.12462

  1   339     -6.47927    0.19417
  1   340     -6.43080    0.14370
  1   341     -6.39578    0.11193
  1   342     -6.39033    0.10743



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17401
  1 Pt    0.00000   -0.00245   -0.37543
  2 Pt    0.00000   -0.01905   -0.43464
  3 O    -1.68305    0.00023   -0.71881
  4 O     1.68305    0.00023   -0.71881
  5 O     0.00000   -0.01144   -1.38700
  6 O     0.00000   -0.00270    1.76753
  7 Pt   -0.00000    0.01399    0.45123
  8 Pt    0.00000   -0.04057    0.75434
  9 O    -1.58102    0.00049    0.05136
 10 O     1.58102    0.00049    0.05136
 11 O     0.00000   -0.00890   -0.56647
 12 O    -0.00000    0.00848    0.13582
 13 Pt   -0.00000    0.28105   -0.03851
 14 Pt    0.00000   -0.01994    0.00794
 15 O    -0.00067    0.01054    0.00355
 16 O     0.00067    0.01054    0.00355
 17 O    -0.00000    0.01081   -1.04963
 18 O    -0.00000    0.00143    0.02594
 19 Pt    0.00000   -0.02309    0.12787
 20 Pt    0.00000   -0.04352    0.15844
 21 O    -0.21178    0.38526    0.22898
 22 O     0.21178    0.38526    0.22898
 23 O     0.00000   -0.01567   -0.08700
 24 O     0.00000   -0.00092    1.14995
 25 Pt   -0.00000    0.01695   -0.37843
 26 Pt    0.00000   -0.00016   -0.43511
 27 O    -1.69161    0.01339   -0.71813
 28 O     1.69161    0.01339   -0.71813
 29 O    -0.00000    0.04586   -1.38863
 30 O     0.00000   -0.00453    1.83301
 31 Pt   -0.00000    0.01907    0.51094
 32 Pt    0.00000   -0.14162    0.57814
 33 O    -1.61405   -0.01897    0.07049
 34 O     1.61405   -0.01897    0.07049
 35 O     0.00000   -0.03244   -0.52534
 36 O    -0.00000    0.21740   -0.11763
 37 Pt    0.00000   -0.31432   -0.04271
 38 Pt    0.00000   -0.00384   -0.01079
 39 O     0.01023    0.01144    0.01561
 40 O    -0.01023    0.01144    0.01561
 41 O     0.00000   -0.00148   -0.00061
 42 O    -0.00000    0.03310   -0.01700
 43 Pt    0.00000   -0.00925    0.08508
 44 Pt    0.00000   -0.07736    0.01324
 45 O    -0.19237   -0.38146    0.18195
 46 O     0.19237   -0.38146    0.18195
 47 O     0.00000   -0.02336   -0.05420
 48 O    -0.00000    0.02227    1.17193
 49 Pt    0.00000   -0.02260   -0.37756
 50 Pt   -0.00000    0.02113   -0.43655
 51 O    -1.69092   -0.01394   -0.71835
 52 O     1.69092   -0.01394   -0.71835
 53 O     0.00000   -0.01156   -1.40538
 54 O     0.00000   -0.00202    1.77557
 55 Pt    0.00000   -0.01218    0.51664
 56 Pt   -0.00000    0.12339    0.65357
 57 O    -1.61403    0.01380    0.09135
 58 O     1.61403    0.01380    0.09135
 59 O     0.00000   -0.02121   -0.51665
 60 O     0.00000   -0.20752   -0.11588
 61 Pt   -0.00000    0.01212   -0.09242
 62 Pt   -0.00000    0.01719   -0.00637
 63 O    -0.01499   -0.00771    0.00297
 64 O     0.01499   -0.00771    0.00297
 65 O     0.00000   -0.00015    0.00151
 66 O     0.00000   -0.01250   -0.00394
 67 Pt   -0.00000    0.00789    0.02775
 68 Pt   -0.00000    0.15296    0.02169
 69 O    -0.00942   -0.00211   -0.02615
 70 O     0.00942   -0.00211   -0.02615
 71 O    -0.00000    0.00813   -0.05089
 72 N    -0.00000    0.72111    0.42602
 73 N     0.00000   -0.70636   -0.09592

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.411129   24.364925    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.374038   24.011472    ( 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  00:00:49  -3.10   +inf  -414.229564    4      1      
iter:   2  00:02:52  -3.45  -2.92  -414.786856    3      1      
iter:   3  00:04:57  -3.77  -2.21  -414.201149    3      1      
iter:   4  00:07:02  -4.39  -3.09  -414.197210    3      1      
iter:   5  00:09:07  -5.18  -3.81  -414.194798    3      1      
iter:   6  00:11:12  -5.01  -3.85  -414.192750    3      1      
iter:   7  00:13:17  -5.44  -3.97  -414.193599    3      1      
iter:   8  00:15:21  -5.18  -4.07  -414.193591    3      1      
iter:   9  00:17:26  -5.84  -4.33  -414.193590    2      1      
iter:  10  00:19:30  -5.78  -4.26  -414.194226    2      1      
iter:  11  00:21:35  -6.54  -3.95  -414.193282    2      1      
iter:  12  00:23:39  -6.64  -4.35  -414.193737    2      1      
iter:  13  00:25:44  -6.57  -4.52  -414.193586    2      1      
iter:  14  00:27:49  -6.75  -4.78  -414.193532    2      1      
iter:  15  00:29:54  -6.92  -4.68  -414.193459    2      1      
iter:  16  00:32:00  -7.05  -4.91  -414.193456    2      1      
iter:  17  00:34:03  -7.17  -4.87  -414.193611    2      1      
iter:  18  00:36:06  -7.83  -5.06  -414.193504    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962953, -32.550957, 0.034160) |e|*Ang

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

Kinetic:        +20.096023
Potential:     -138.553504
External:        +0.000000
XC:            -305.456776
Entropy (-ST):   -1.565586
Local:          +10.503547
--------------------------
Free energy:   -414.976297
Extrapolated:  -414.193504

Fermi level: -6.50565

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57470    0.14801
  0   340     -6.55998    0.14057
  0   341     -6.55899    0.14006
  0   342     -6.53018    0.12467

  1   339     -6.48031    0.19421
  1   340     -6.43179    0.14369
  1   341     -6.39673    0.11189
  1   342     -6.39165    0.10770



Forces in eV/Ang:
  0 O     0.00000   -0.01749    1.17390
  1 Pt    0.00000   -0.00247   -0.37522
  2 Pt    0.00000   -0.01906   -0.43406
  3 O    -1.68290    0.00023   -0.71858
  4 O     1.68290    0.00023   -0.71858
  5 O     0.00000   -0.01142   -1.38684
  6 O     0.00000   -0.00270    1.76825
  7 Pt   -0.00000    0.01400    0.45149
  8 Pt    0.00000   -0.04061    0.75461
  9 O    -1.58104    0.00050    0.05133
 10 O     1.58104    0.00050    0.05133
 11 O     0.00000   -0.00889   -0.56658
 12 O    -0.00000    0.00846    0.13557
 13 Pt   -0.00000    0.28218   -0.03867
 14 Pt    0.00000   -0.02001    0.00742
 15 O    -0.00072    0.01054    0.00326
 16 O     0.00072    0.01054    0.00326
 17 O    -0.00000    0.01113   -1.05316
 18 O    -0.00000    0.00130    0.02553
 19 Pt    0.00000   -0.02302    0.12901
 20 Pt    0.00000   -0.04544    0.15998
 21 O    -0.21249    0.38639    0.22863
 22 O     0.21249    0.38639    0.22863
 23 O     0.00000   -0.01515   -0.08540
 24 O     0.00000   -0.00091    1.14982
 25 Pt   -0.00000    0.01699   -0.37819
 26 Pt    0.00000   -0.00016   -0.43453
 27 O    -1.69146    0.01340   -0.71789
 28 O     1.69146    0.01340   -0.71789
 29 O    -0.00000    0.04578   -1.38854
 30 O     0.00000   -0.00454    1.83375
 31 Pt   -0.00000    0.01907    0.51120
 32 Pt    0.00000   -0.14141    0.57870
 33 O    -1.61405   -0.01897    0.07046
 34 O     1.61405   -0.01897    0.07046
 35 O     0.00000   -0.03246   -0.52546
 36 O    -0.00000    0.21794   -0.11826
 37 Pt    0.00000   -0.31556   -0.04306
 38 Pt    0.00000   -0.00375   -0.01129
 39 O     0.01021    0.01144    0.01532
 40 O    -0.01021    0.01144    0.01532
 41 O     0.00000   -0.00119   -0.00019
 42 O    -0.00000    0.03345   -0.01759
 43 Pt    0.00000   -0.00929    0.08848
 44 Pt    0.00000   -0.07753    0.01499
 45 O    -0.19492   -0.38347    0.18623
 46 O     0.19492   -0.38347    0.18623
 47 O     0.00000   -0.02397   -0.05303
 48 O    -0.00000    0.02229    1.17181
 49 Pt    0.00000   -0.02262   -0.37734
 50 Pt   -0.00000    0.02113   -0.43601
 51 O    -1.69077   -0.01395   -0.71811
 52 O     1.69077   -0.01395   -0.71811
 53 O     0.00000   -0.01151   -1.40523
 54 O     0.00000   -0.00202    1.77635
 55 Pt    0.00000   -0.01219    0.51691
 56 Pt   -0.00000    0.12324    0.65406
 57 O    -1.61405    0.01379    0.09130
 58 O     1.61405    0.01379    0.09130
 59 O     0.00000   -0.02120   -0.51674
 60 O     0.00000   -0.20800   -0.11627
 61 Pt   -0.00000    0.01213   -0.09294
 62 Pt   -0.00000    0.01717   -0.00682
 63 O    -0.01505   -0.00771    0.00270
 64 O     0.01505   -0.00771    0.00270
 65 O     0.00000   -0.00012    0.00183
 66 O     0.00000   -0.01271   -0.00466
 67 Pt   -0.00000    0.00791    0.02808
 68 Pt   -0.00000    0.15318    0.02191
 69 O    -0.00966   -0.00229   -0.02684
 70 O     0.00966   -0.00229   -0.02684
 71 O    -0.00000    0.00826   -0.05021
 72 N    -0.00000    1.25100    0.60933
 73 N     0.00000   -1.29836   -0.36195

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    3.406290   24.380066    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.371519   24.027308    ( 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  00:40:38  -3.05   +inf  -414.208618    3      1      
iter:   2  00:42:41  -3.81  -3.20  -414.276563    3      1      
iter:   3  00:44:44  -4.20  -2.61  -414.203463    3      1      
iter:   4  00:46:48  -4.71  -3.06  -414.195366    3      1      
iter:   5  00:48:51  -5.30  -3.97  -414.194146    3      1      
iter:   6  00:50:54  -4.94  -3.93  -414.193005    3      1      
iter:   7  00:52:57  -5.27  -4.01  -414.193834    2      1      
iter:   8  00:55:00  -5.44  -4.41  -414.193645    3      1      
iter:   9  00:57:03  -6.28  -4.40  -414.193706    2      1      
iter:  10  00:59:05  -6.54  -4.45  -414.193922    2      1      
iter:  11  01:01:07  -6.89  -4.47  -414.193690    2      1      
iter:  12  01:03:09  -6.81  -4.50  -414.193678    2      1      
iter:  13  01:05:12  -7.03  -5.00  -414.193601    2      1      
iter:  14  01:07:14  -7.42  -4.88  -414.193814    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962987, -32.549638, 0.031873) |e|*Ang

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

Kinetic:        +20.491318
Potential:     -138.883489
External:        +0.000000
XC:            -305.523280
Entropy (-ST):   -1.565284
Local:          +10.504279
--------------------------
Free energy:   -414.976457
Extrapolated:  -414.193814

Fermi level: -6.50773

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57626    0.14776
  0   340     -6.56225    0.14067
  0   341     -6.56131    0.14018
  0   342     -6.53219    0.12463

  1   339     -6.48233    0.19415
  1   340     -6.43408    0.14389
  1   341     -6.39879    0.11188
  1   342     -6.39391    0.10784



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17329
  1 Pt    0.00000   -0.00248   -0.37696
  2 Pt    0.00000   -0.01906   -0.43756
  3 O    -1.68218    0.00024   -0.71960
  4 O     1.68218    0.00024   -0.71960
  5 O     0.00000   -0.01140   -1.38740
  6 O     0.00000   -0.00271    1.77054
  7 Pt   -0.00000    0.01400    0.45292
  8 Pt    0.00000   -0.04069    0.75569
  9 O    -1.58062    0.00052    0.05181
 10 O     1.58062    0.00052    0.05181
 11 O     0.00000   -0.00888   -0.56612
 12 O    -0.00000    0.00832    0.13583
 13 Pt   -0.00000    0.28333   -0.03760
 14 Pt    0.00000   -0.01998    0.00858
 15 O    -0.00082    0.01061    0.00336
 16 O     0.00082    0.01061    0.00336
 17 O    -0.00000    0.01159   -1.05274
 18 O    -0.00000    0.00132    0.02531
 19 Pt    0.00000   -0.02283    0.13369
 20 Pt    0.00000   -0.04804    0.16457
 21 O    -0.21372    0.38761    0.23184
 22 O     0.21372    0.38761    0.23184
 23 O     0.00000   -0.01576   -0.08516
 24 O     0.00000   -0.00091    1.14921
 25 Pt   -0.00000    0.01702   -0.37991
 26 Pt    0.00000   -0.00016   -0.43804
 27 O    -1.69073    0.01339   -0.71891
 28 O     1.69073    0.01339   -0.71891
 29 O    -0.00000    0.04570   -1.38919
 30 O     0.00000   -0.00452    1.83611
 31 Pt   -0.00000    0.01909    0.51265
 32 Pt    0.00000   -0.14119    0.58007
 33 O    -1.61361   -0.01898    0.07093
 34 O     1.61361   -0.01898    0.07093
 35 O     0.00000   -0.03246   -0.52496
 36 O    -0.00000    0.21852   -0.11835
 37 Pt    0.00000   -0.31671   -0.04206
 38 Pt    0.00000   -0.00374   -0.01028
 39 O     0.01011    0.01142    0.01558
 40 O    -0.01011    0.01142    0.01558
 41 O     0.00000   -0.00094    0.00547
 42 O    -0.00000    0.03359   -0.01792
 43 Pt    0.00000   -0.00949    0.09278
 44 Pt    0.00000   -0.07721    0.01882
 45 O    -0.19670   -0.38569    0.19171
 46 O     0.19670   -0.38569    0.19171
 47 O     0.00000   -0.02348   -0.05292
 48 O    -0.00000    0.02229    1.17119
 49 Pt    0.00000   -0.02264   -0.37909
 50 Pt   -0.00000    0.02113   -0.43954
 51 O    -1.69005   -0.01395   -0.71912
 52 O     1.69005   -0.01395   -0.71912
 53 O     0.00000   -0.01146   -1.40585
 54 O     0.00000   -0.00201    1.77872
 55 Pt    0.00000   -0.01220    0.51837
 56 Pt   -0.00000    0.12310    0.65538
 57 O    -1.61362    0.01379    0.09175
 58 O     1.61362    0.01379    0.09175
 59 O     0.00000   -0.02121   -0.51627
 60 O     0.00000   -0.20840   -0.11637
 61 Pt   -0.00000    0.01206   -0.09218
 62 Pt   -0.00000    0.01713   -0.00585
 63 O    -0.01522   -0.00777    0.00280
 64 O     0.01522   -0.00777    0.00280
 65 O     0.00000   -0.00015    0.00771
 66 O     0.00000   -0.01285   -0.00500
 67 Pt   -0.00000    0.00804    0.03179
 68 Pt   -0.00000    0.15364    0.02824
 69 O    -0.01068   -0.00219   -0.02440
 70 O     0.01068   -0.00219   -0.02440
 71 O    -0.00000    0.00841   -0.04956
 72 N    -0.00000    1.61685    0.71051
 73 N     0.00000   -1.64197   -0.44374

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    3.400793   24.401988    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.361819   24.047784    ( 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  01:13:44  -2.72   +inf  -414.416929    3      1      
iter:   2  01:15:41  -2.56  -2.43  -419.982446    3      1      
iter:   3  01:17:37  -2.99  -1.77  -414.298198    4      1      
iter:   4  01:19:32  -3.41  -2.66  -414.215769    3      1      
iter:   5  01:21:27  -4.03  -3.44  -414.210207    3      1      
iter:   6  01:23:23  -4.37  -3.48  -414.207961    3      1      
iter:   7  01:25:21  -4.82  -3.84  -414.207622    3      1      
iter:   8  01:27:23  -4.95  -3.81  -414.206393    3      1      
iter:   9  01:29:25  -4.88  -4.09  -414.206457    3      1      
iter:  10  01:31:27  -5.33  -3.93  -414.205894    2      1      
iter:  11  01:33:28  -6.18  -4.24  -414.206068    2      1      
iter:  12  01:35:29  -6.29  -4.39  -414.205610    2      1      
iter:  13  01:37:31  -6.42  -4.33  -414.206012    2      1      
iter:  14  01:39:33  -6.57  -4.27  -414.206266    2      1      
iter:  15  01:41:35  -6.87  -4.30  -414.206093    2      1      
iter:  16  01:43:37  -6.84  -4.71  -414.206167    2      1      
iter:  17  01:45:35  -6.87  -4.53  -414.205988    2      1      
iter:  18  01:47:33  -7.51  -4.85  -414.206014    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962935, -32.548049, 0.031010) |e|*Ang

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

Kinetic:        +19.829118
Potential:     -138.388918
External:        +0.000000
XC:            -305.365991
Entropy (-ST):   -1.565551
Local:          +10.502553
--------------------------
Free energy:   -414.988789
Extrapolated:  -414.206014

Fermi level: -6.50836

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57715    0.14789
  0   340     -6.56268    0.14057
  0   341     -6.56171    0.14007
  0   342     -6.53307    0.12477

  1   339     -6.48286    0.19404
  1   340     -6.43449    0.14369
  1   341     -6.39944    0.11190
  1   342     -6.39502    0.10824



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17500
  1 Pt    0.00000   -0.00252   -0.37487
  2 Pt    0.00000   -0.01904   -0.43364
  3 O    -1.68305    0.00024   -0.71834
  4 O     1.68305    0.00024   -0.71834
  5 O     0.00000   -0.01137   -1.38712
  6 O     0.00000   -0.00274    1.76743
  7 Pt   -0.00000    0.01398    0.45139
  8 Pt    0.00000   -0.04074    0.75434
  9 O    -1.58095    0.00050    0.05150
 10 O     1.58095    0.00050    0.05150
 11 O     0.00000   -0.00888   -0.56630
 12 O    -0.00000    0.00842    0.13593
 13 Pt   -0.00000    0.28506   -0.03700
 14 Pt    0.00000   -0.01989    0.00862
 15 O    -0.00053    0.01061    0.00413
 16 O     0.00053    0.01061    0.00413
 17 O    -0.00000    0.01211   -1.06352
 18 O    -0.00000    0.00165    0.02626
 19 Pt    0.00000   -0.02350    0.12454
 20 Pt    0.00000   -0.04781    0.15804
 21 O    -0.21422    0.38818    0.22510
 22 O     0.21422    0.38818    0.22510
 23 O     0.00000   -0.01721   -0.09025
 24 O     0.00000   -0.00091    1.15092
 25 Pt   -0.00000    0.01707   -0.37782
 26 Pt    0.00000   -0.00017   -0.43416
 27 O    -1.69161    0.01338   -0.71765
 28 O     1.69161    0.01338   -0.71765
 29 O    -0.00000    0.04560   -1.38907
 30 O     0.00000   -0.00450    1.83302
 31 Pt   -0.00000    0.01911    0.51115
 32 Pt    0.00000   -0.14092    0.57901
 33 O    -1.61389   -0.01898    0.07065
 34 O     1.61389   -0.01898    0.07065
 35 O     0.00000   -0.03246   -0.52519
 36 O    -0.00000    0.21954   -0.11897
 37 Pt    0.00000   -0.31858   -0.04150
 38 Pt    0.00000   -0.00390   -0.01030
 39 O     0.01034    0.01147    0.01654
 40 O    -0.01034    0.01147    0.01654
 41 O     0.00000   -0.00079    0.00081
 42 O    -0.00000    0.03321   -0.01689
 43 Pt    0.00000   -0.00910    0.08396
 44 Pt    0.00000   -0.07875    0.00705
 45 O    -0.19841   -0.38759    0.18875
 46 O     0.19841   -0.38759    0.18875
 47 O     0.00000   -0.02164   -0.05822
 48 O    -0.00000    0.02229    1.17290
 49 Pt    0.00000   -0.02264   -0.37700
 50 Pt   -0.00000    0.02113   -0.43564
 51 O    -1.69092   -0.01395   -0.71786
 52 O     1.69092   -0.01395   -0.71786
 53 O     0.00000   -0.01140   -1.40567
 54 O     0.00000   -0.00201    1.77571
 55 Pt    0.00000   -0.01220    0.51683
 56 Pt   -0.00000    0.12289    0.65423
 57 O    -1.61396    0.01380    0.09138
 58 O     1.61396    0.01380    0.09138
 59 O     0.00000   -0.02121   -0.51653
 60 O     0.00000   -0.20957   -0.11693
 61 Pt   -0.00000    0.01212   -0.09218
 62 Pt   -0.00000    0.01719   -0.00595
 63 O    -0.01501   -0.00780    0.00351
 64 O     0.01501   -0.00780    0.00351
 65 O     0.00000   -0.00000    0.00282
 66 O     0.00000   -0.01283   -0.00401
 67 Pt   -0.00000    0.00833    0.02288
 68 Pt   -0.00000    0.15327    0.01295
 69 O    -0.01061   -0.00187   -0.03097
 70 O     0.01061   -0.00187   -0.03097
 71 O    -0.00000    0.00798   -0.05479
 72 N    -0.00000    0.96636    0.44036
 73 N     0.00000   -1.01691   -0.26103

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    3.395589   24.424138    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.352462   24.068411    ( 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  01:55:01  -2.73   +inf  -414.263180    3      1      
iter:   2  01:57:05  -3.07  -2.72  -415.786067    3      1      
iter:   3  01:59:09  -3.46  -2.02  -414.233935    3      1      
iter:   4  02:01:12  -4.08  -3.20  -414.219789    3      1      
iter:   5  02:03:15  -4.55  -3.43  -414.218673    3      1      
iter:   6  02:05:18  -4.79  -3.81  -414.216992    3      1      
iter:   7  02:07:21  -4.74  -3.76  -414.214945    3      1      
iter:   8  02:09:23  -4.83  -3.90  -414.215298    2      1      
iter:   9  02:11:25  -5.28  -4.25  -414.215088    2      1      
iter:  10  02:13:27  -6.21  -4.25  -414.215441    2      1      
iter:  11  02:15:29  -6.23  -4.30  -414.214842    2      1      
iter:  12  02:17:31  -6.63  -4.31  -414.215457    2      1      
iter:  13  02:19:34  -6.44  -3.98  -414.215285    2      1      
iter:  14  02:21:37  -6.43  -4.45  -414.215299    2      1      
iter:  15  02:23:40  -6.80  -4.71  -414.215308    2      1      
iter:  16  02:25:44  -7.06  -4.81  -414.215219    2      1      
iter:  17  02:27:42  -7.43  -4.78  -414.215275    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962962, -32.546290, 0.028498) |e|*Ang

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

Kinetic:        +19.037655
Potential:     -137.770001
External:        +0.000000
XC:            -305.200579
Entropy (-ST):   -1.565542
Local:          +10.500422
--------------------------
Free energy:   -414.998046
Extrapolated:  -414.215275

Fermi level: -6.51047

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57899    0.14776
  0   340     -6.56484    0.14060
  0   341     -6.56390    0.14011
  0   342     -6.53523    0.12480

  1   339     -6.48494    0.19401
  1   340     -6.43666    0.14374
  1   341     -6.40159    0.11194
  1   342     -6.39741    0.10847



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17465
  1 Pt    0.00000   -0.00256   -0.37514
  2 Pt    0.00000   -0.01905   -0.43440
  3 O    -1.68268    0.00025   -0.71837
  4 O     1.68268    0.00025   -0.71837
  5 O     0.00000   -0.01136   -1.38722
  6 O     0.00000   -0.00275    1.76802
  7 Pt   -0.00000    0.01398    0.45187
  8 Pt    0.00000   -0.04077    0.75474
  9 O    -1.58066    0.00050    0.05154
 10 O     1.58066    0.00050    0.05154
 11 O     0.00000   -0.00885   -0.56629
 12 O    -0.00000    0.00857    0.13631
 13 Pt   -0.00000    0.28659   -0.03662
 14 Pt    0.00000   -0.01991    0.00902
 15 O    -0.00057    0.01066    0.00415
 16 O     0.00057    0.01066    0.00415
 17 O    -0.00000    0.01253   -1.06853
 18 O    -0.00000    0.00145    0.02600
 19 Pt    0.00000   -0.02328    0.12684
 20 Pt    0.00000   -0.04877    0.16203
 21 O    -0.21486    0.38948    0.22598
 22 O     0.21486    0.38948    0.22598
 23 O     0.00000   -0.01719   -0.09047
 24 O     0.00000   -0.00091    1.15057
 25 Pt   -0.00000    0.01711   -0.37809
 26 Pt    0.00000   -0.00017   -0.43491
 27 O    -1.69124    0.01338   -0.71771
 28 O     1.69124    0.01338   -0.71771
 29 O    -0.00000    0.04552   -1.38924
 30 O     0.00000   -0.00448    1.83366
 31 Pt   -0.00000    0.01912    0.51171
 32 Pt    0.00000   -0.14066    0.57969
 33 O    -1.61358   -0.01899    0.07071
 34 O     1.61358   -0.01899    0.07071
 35 O     0.00000   -0.03249   -0.52516
 36 O    -0.00000    0.22015   -0.11914
 37 Pt    0.00000   -0.32025   -0.04155
 38 Pt    0.00000   -0.00393   -0.01002
 39 O     0.01031    0.01147    0.01652
 40 O    -0.01031    0.01147    0.01652
 41 O     0.00000   -0.00043    0.00269
 42 O    -0.00000    0.03350   -0.01729
 43 Pt    0.00000   -0.00919    0.08796
 44 Pt    0.00000   -0.08031    0.01061
 45 O    -0.20130   -0.38992    0.19471
 46 O     0.20130   -0.38992    0.19471
 47 O     0.00000   -0.02176   -0.05832
 48 O    -0.00000    0.02230    1.17257
 49 Pt    0.00000   -0.02265   -0.37727
 50 Pt   -0.00000    0.02113   -0.43642
 51 O    -1.69055   -0.01395   -0.71790
 52 O     1.69055   -0.01395   -0.71790
 53 O     0.00000   -0.01133   -1.40578
 54 O     0.00000   -0.00202    1.77637
 55 Pt    0.00000   -0.01221    0.51732
 56 Pt   -0.00000    0.12266    0.65479
 57 O    -1.61368    0.01381    0.09137
 58 O     1.61368    0.01381    0.09137
 59 O     0.00000   -0.02121   -0.51656
 60 O     0.00000   -0.21037   -0.11691
 61 Pt   -0.00000    0.01221   -0.09218
 62 Pt   -0.00000    0.01722   -0.00543
 63 O    -0.01504   -0.00784    0.00355
 64 O     0.01504   -0.00784    0.00355
 65 O     0.00000   -0.00000    0.00470
 66 O     0.00000   -0.01288   -0.00452
 67 Pt   -0.00000    0.00820    0.02443
 68 Pt   -0.00000    0.15371    0.01537
 69 O    -0.01088   -0.00199   -0.03048
 70 O     0.01088   -0.00199   -0.03048
 71 O    -0.00000    0.00811   -0.05473
 72 N    -0.00000    0.38207    0.26435
 73 N     0.00000   -0.41359   -0.00982

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
                 N   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 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    3.389628   24.448122    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.342346   24.091208    ( 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  02:32:59  -2.65   +inf  -414.311279    3      1      
iter:   2  02:35:13  -2.85  -2.59  -417.010431    3      1      
iter:   3  02:37:16  -3.25  -1.90  -414.252921    3      1      
iter:   4  02:39:20  -3.79  -2.96  -414.224083    3      1      
iter:   5  02:41:23  -4.30  -3.53  -414.224177    3      1      
iter:   6  02:43:26  -4.61  -3.67  -414.220648    2      1      
iter:   7  02:45:29  -4.81  -3.87  -414.219852    3      1      
iter:   8  02:47:25  -4.88  -3.82  -414.219541    2      1      
iter:   9  02:49:20  -5.27  -4.05  -414.219581    2      1      
iter:  10  02:51:16  -5.79  -4.12  -414.219224    2      1      
iter:  11  02:53:11  -6.27  -4.27  -414.219545    2      1      
iter:  12  02:55:07  -6.37  -4.31  -414.218995    2      1      
iter:  13  02:57:03  -6.44  -4.31  -414.219404    2      1      
iter:  14  02:58:58  -6.39  -4.46  -414.219436    2      1      
iter:  15  03:00:53  -6.76  -4.67  -414.219402    2      1      
iter:  16  03:02:49  -7.12  -4.65  -414.219531    2      1      
iter:  17  03:04:43  -7.22  -4.51  -414.219345    2      1      
iter:  18  03:06:41  -7.69  -4.81  -414.219407    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962970, -32.544413, 0.026098) |e|*Ang

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

Kinetic:        +18.273572
Potential:     -137.173454
External:        +0.000000
XC:            -305.038978
Entropy (-ST):   -1.565604
Local:          +10.502255
--------------------------
Free energy:   -415.002209
Extrapolated:  -414.219407

Fermi level: -6.51258

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58101    0.14771
  0   340     -6.56690    0.14056
  0   341     -6.56597    0.14009
  0   342     -6.53747    0.12487

  1   339     -6.48698    0.19393
  1   340     -6.43873    0.14370
  1   341     -6.40375    0.11197
  1   342     -6.39986    0.10875



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17492
  1 Pt    0.00000   -0.00258   -0.37527
  2 Pt    0.00000   -0.01905   -0.43476
  3 O    -1.68281    0.00025   -0.71830
  4 O     1.68281    0.00025   -0.71830
  5 O     0.00000   -0.01135   -1.38716
  6 O     0.00000   -0.00278    1.76689
  7 Pt   -0.00000    0.01397    0.45162
  8 Pt    0.00000   -0.04084    0.75447
  9 O    -1.58058    0.00050    0.05161
 10 O     1.58058    0.00050    0.05161
 11 O     0.00000   -0.00886   -0.56638
 12 O    -0.00000    0.00858    0.13638
 13 Pt   -0.00000    0.28837   -0.03645
 14 Pt    0.00000   -0.01994    0.00888
 15 O    -0.00050    0.01067    0.00422
 16 O     0.00050    0.01067    0.00422
 17 O    -0.00000    0.01290   -1.07550
 18 O    -0.00000    0.00138    0.02594
 19 Pt    0.00000   -0.02299    0.12825
 20 Pt    0.00000   -0.04945    0.16577
 21 O    -0.21524    0.39066    0.22612
 22 O     0.21524    0.39066    0.22612
 23 O     0.00000   -0.01701   -0.09052
 24 O     0.00000   -0.00090    1.15083
 25 Pt   -0.00000    0.01715   -0.37822
 26 Pt    0.00000   -0.00017   -0.43530
 27 O    -1.69137    0.01338   -0.71764
 28 O     1.69137    0.01338   -0.71764
 29 O    -0.00000    0.04544   -1.38929
 30 O     0.00000   -0.00445    1.83255
 31 Pt   -0.00000    0.01914    0.51147
 32 Pt    0.00000   -0.14034    0.57974
 33 O    -1.61347   -0.01899    0.07077
 34 O     1.61347   -0.01899    0.07077
 35 O     0.00000   -0.03247   -0.52527
 36 O    -0.00000    0.22097   -0.11970
 37 Pt    0.00000   -0.32205   -0.04165
 38 Pt    0.00000   -0.00390   -0.01025
 39 O     0.01037    0.01147    0.01661
 40 O    -0.01037    0.01147    0.01661
 41 O     0.00000   -0.00007    0.00256
 42 O    -0.00000    0.03374   -0.01747
 43 Pt    0.00000   -0.00928    0.09133
 44 Pt    0.00000   -0.08190    0.01328
 45 O    -0.20373   -0.39209    0.20033
 46 O     0.20373   -0.39209    0.20033
 47 O     0.00000   -0.02191   -0.05838
 48 O    -0.00000    0.02230    1.17283
 49 Pt    0.00000   -0.02267   -0.37740
 50 Pt   -0.00000    0.02113   -0.43682
 51 O    -1.69069   -0.01395   -0.71782
 52 O     1.69069   -0.01395   -0.71782
 53 O     0.00000   -0.01126   -1.40575
 54 O     0.00000   -0.00202    1.77531
 55 Pt    0.00000   -0.01221    0.51707
 56 Pt   -0.00000    0.12242    0.65477
 57 O    -1.61362    0.01381    0.09142
 58 O     1.61362    0.01381    0.09142
 59 O     0.00000   -0.02122   -0.51670
 60 O     0.00000   -0.21124   -0.11731
 61 Pt   -0.00000    0.01218   -0.09247
 62 Pt   -0.00000    0.01722   -0.00558
 63 O    -0.01498   -0.00784    0.00361
 64 O     0.01498   -0.00784    0.00361
 65 O     0.00000    0.00005    0.00459
 66 O     0.00000   -0.01305   -0.00481
 67 Pt   -0.00000    0.00804    0.02507
 68 Pt   -0.00000    0.15401    0.01606
 69 O    -0.01080   -0.00217   -0.03064
 70 O     0.01080   -0.00217   -0.03064
 71 O    -0.00000    0.00810   -0.05471
 72 N     0.00000   -0.19256    0.01334
 73 N    -0.00000    0.20228    0.09934

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
                 N   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 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    3.386569   24.460907    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.338598   24.102281    ( 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  03:12:48  -3.25   +inf  -414.235897    3      1      
iter:   2  03:14:53  -3.50  -2.92  -414.882630    3      1      
iter:   3  03:16:58  -3.80  -2.20  -414.228678    3      1      
iter:   4  03:19:03  -4.49  -3.45  -414.222168    3      1      
iter:   5  03:21:08  -4.98  -3.75  -414.221612    2      1      
iter:   6  03:23:12  -5.22  -4.17  -414.221005    2      1      
iter:   7  03:25:17  -5.31  -4.21  -414.220523    2      1      
iter:   8  03:27:21  -5.63  -4.27  -414.220850    2      1      
iter:   9  03:29:27  -6.08  -4.52  -414.220724    2      1      
iter:  10  03:31:31  -6.90  -4.66  -414.221000    2      1      
iter:  11  03:33:37  -7.18  -4.63  -414.220777    2      1      
iter:  12  03:35:42  -7.27  -4.61  -414.220787    2      1      
iter:  13  03:37:47  -7.33  -4.59  -414.220908    2      1      
iter:  14  03:39:51  -7.37  -4.88  -414.220907    2      1      
iter:  15  03:41:49  -7.61  -4.89  -414.220902    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963041, -32.543422, 0.024238) |e|*Ang

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

Kinetic:        +18.000147
Potential:     -136.954469
External:        +0.000000
XC:            -304.988259
Entropy (-ST):   -1.565695
Local:          +10.504527
--------------------------
Free energy:   -415.003750
Extrapolated:  -414.220902

Fermi level: -6.51393

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58219    0.14763
  0   340     -6.56828    0.14058
  0   341     -6.56738    0.14012
  0   342     -6.53885    0.12489

  1   339     -6.48838    0.19399
  1   340     -6.44011    0.14374
  1   341     -6.40512    0.11200
  1   342     -6.40133    0.10885



Forces in eV/Ang:
  0 O     0.00000   -0.01752    1.17433
  1 Pt    0.00000   -0.00257   -0.37529
  2 Pt    0.00000   -0.01906   -0.43406
  3 O    -1.68254    0.00024   -0.71864
  4 O     1.68254    0.00024   -0.71864
  5 O     0.00000   -0.01136   -1.38727
  6 O     0.00000   -0.00277    1.76907
  7 Pt   -0.00000    0.01400    0.45217
  8 Pt    0.00000   -0.04088    0.75502
  9 O    -1.58073    0.00055    0.05159
 10 O     1.58073    0.00055    0.05159
 11 O     0.00000   -0.00887   -0.56616
 12 O    -0.00000    0.00848    0.13617
 13 Pt   -0.00000    0.28924   -0.03663
 14 Pt    0.00000   -0.01997    0.00857
 15 O    -0.00070    0.01075    0.00405
 16 O     0.00070    0.01075    0.00405
 17 O    -0.00000    0.01300   -1.07746
 18 O    -0.00000    0.00138    0.02608
 19 Pt    0.00000   -0.02259    0.13035
 20 Pt    0.00000   -0.04987    0.16817
 21 O    -0.21532    0.39138    0.22821
 22 O     0.21532    0.39138    0.22821
 23 O     0.00000   -0.01638   -0.08985
 24 O     0.00000   -0.00089    1.15024
 25 Pt   -0.00000    0.01716   -0.37822
 26 Pt    0.00000   -0.00015   -0.43460
 27 O    -1.69109    0.01338   -0.71798
 28 O     1.69109    0.01338   -0.71798
 29 O    -0.00000    0.04540   -1.38946
 30 O     0.00000   -0.00446    1.83470
 31 Pt   -0.00000    0.01913    0.51204
 32 Pt    0.00000   -0.14021    0.58051
 33 O    -1.61363   -0.01901    0.07074
 34 O     1.61363   -0.01901    0.07074
 35 O     0.00000   -0.03246   -0.52503
 36 O    -0.00000    0.22145   -0.12018
 37 Pt    0.00000   -0.32274   -0.04190
 38 Pt    0.00000   -0.00383   -0.01062
 39 O     0.01020    0.01141    0.01644
 40 O    -0.01020    0.01141    0.01644
 41 O     0.00000    0.00018    0.00355
 42 O    -0.00000    0.03385   -0.01749
 43 Pt    0.00000   -0.00950    0.09503
 44 Pt    0.00000   -0.08229    0.01633
 45 O    -0.20510   -0.39315    0.20615
 46 O     0.20510   -0.39315    0.20615
 47 O     0.00000   -0.02265   -0.05766
 48 O    -0.00000    0.02230    1.17223
 49 Pt    0.00000   -0.02269   -0.37743
 50 Pt   -0.00000    0.02112   -0.43615
 51 O    -1.69044   -0.01394   -0.71816
 52 O     1.69044   -0.01394   -0.71816
 53 O     0.00000   -0.01123   -1.40592
 54 O     0.00000   -0.00202    1.77738
 55 Pt    0.00000   -0.01222    0.51764
 56 Pt   -0.00000    0.12233    0.65552
 57 O    -1.61376    0.01378    0.09138
 58 O     1.61376    0.01378    0.09138
 59 O     0.00000   -0.02123   -0.51637
 60 O     0.00000   -0.21160   -0.11788
 61 Pt   -0.00000    0.01198   -0.09275
 62 Pt   -0.00000    0.01718   -0.00589
 63 O    -0.01519   -0.00787    0.00346
 64 O     0.01519   -0.00787    0.00346
 65 O     0.00000   -0.00002    0.00543
 66 O     0.00000   -0.01310   -0.00486
 67 Pt   -0.00000    0.00789    0.02665
 68 Pt   -0.00000    0.15409    0.01832
 69 O    -0.01096   -0.00245   -0.02894
 70 O     0.01096   -0.00245   -0.02894
 71 O    -0.00000    0.00821   -0.05414
 72 N     0.00000   -0.39022    0.03856
 73 N    -0.00000    0.28397    0.22305

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
                 N   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 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    3.383158   24.483792    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.335464   24.117362    ( 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  03:46:20  -2.85   +inf  -414.286869    3      1      
iter:   2  03:48:24  -3.00  -2.67  -416.280856    3      1      
iter:   3  03:50:28  -3.38  -1.97  -414.243432    3      1      
iter:   4  03:52:32  -3.96  -3.07  -414.227008    3      1      
iter:   5  03:54:35  -4.37  -3.76  -414.226746    3      1      
iter:   6  03:56:39  -4.82  -3.77  -414.224206    3      1      
iter:   7  03:58:43  -4.98  -4.00  -414.224325    3      1      
iter:   8  04:00:47  -5.09  -3.98  -414.224317    2      1      
iter:   9  04:02:51  -5.51  -4.35  -414.224452    2      1      
iter:  10  04:04:55  -6.08  -4.19  -414.224051    2      1      
iter:  11  04:06:59  -6.60  -4.26  -414.224410    2      1      
iter:  12  04:09:02  -6.68  -4.46  -414.223966    2      1      
iter:  13  04:11:06  -6.69  -4.41  -414.224340    2      1      
iter:  14  04:13:12  -6.69  -4.63  -414.224327    2      1      
iter:  15  04:15:17  -7.12  -4.86  -414.224313    2      1      
iter:  16  04:17:22  -7.41  -4.85  -414.224454    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963024, -32.542942, 0.022355) |e|*Ang

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

Kinetic:        +17.632932
Potential:     -136.675110
External:        +0.000000
XC:            -304.903009
Entropy (-ST):   -1.565507
Local:          +10.503488
--------------------------
Free energy:   -415.007207
Extrapolated:  -414.224454

Fermi level: -6.51509

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58285    0.14738
  0   340     -6.56970    0.14072
  0   341     -6.56887    0.14029
  0   342     -6.53995    0.12485

  1   339     -6.48962    0.19408
  1   340     -6.44151    0.14397
  1   341     -6.40640    0.11209
  1   342     -6.40253    0.10888



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17440
  1 Pt    0.00000   -0.00258   -0.37519
  2 Pt    0.00000   -0.01905   -0.43459
  3 O    -1.68090    0.00025   -0.71860
  4 O     1.68090    0.00025   -0.71860
  5 O     0.00000   -0.01134   -1.38787
  6 O     0.00000   -0.00279    1.77367
  7 Pt   -0.00000    0.01398    0.45421
  8 Pt    0.00000   -0.04097    0.75635
  9 O    -1.58028    0.00053    0.05229
 10 O     1.58028    0.00053    0.05229
 11 O     0.00000   -0.00891   -0.56571
 12 O    -0.00000    0.00844    0.13637
 13 Pt   -0.00000    0.29006   -0.03393
 14 Pt    0.00000   -0.01993    0.01043
 15 O    -0.00088    0.01076    0.00477
 16 O     0.00088    0.01076    0.00477
 17 O    -0.00000    0.01300   -1.07480
 18 O    -0.00000    0.00139    0.02556
 19 Pt    0.00000   -0.02238    0.13126
 20 Pt    0.00000   -0.04967    0.16959
 21 O    -0.21668    0.39267    0.22769
 22 O     0.21668    0.39267    0.22769
 23 O     0.00000   -0.01678   -0.09090
 24 O     0.00000   -0.00089    1.15029
 25 Pt   -0.00000    0.01719   -0.37811
 26 Pt    0.00000   -0.00016   -0.43514
 27 O    -1.68946    0.01337   -0.71794
 28 O     1.68946    0.01337   -0.71794
 29 O    -0.00000    0.04535   -1.39009
 30 O     0.00000   -0.00443    1.83936
 31 Pt   -0.00000    0.01915    0.51404
 32 Pt    0.00000   -0.14003    0.58202
 33 O    -1.61315   -0.01901    0.07140
 34 O     1.61315   -0.01901    0.07140
 35 O     0.00000   -0.03243   -0.52454
 36 O    -0.00000    0.22175   -0.12020
 37 Pt    0.00000   -0.32345   -0.03924
 38 Pt    0.00000   -0.00387   -0.00882
 39 O     0.01001    0.01141    0.01735
 40 O    -0.01001    0.01141    0.01735
 41 O     0.00000    0.00046    0.01003
 42 O    -0.00000    0.03383   -0.01806
 43 Pt    0.00000   -0.00976    0.09654
 44 Pt    0.00000   -0.08286    0.01596
 45 O    -0.20721   -0.39501    0.20803
 46 O     0.20721   -0.39501    0.20803
 47 O     0.00000   -0.02234   -0.05874
 48 O    -0.00000    0.02232    1.17230
 49 Pt    0.00000   -0.02271   -0.37733
 50 Pt   -0.00000    0.02112   -0.43670
 51 O    -1.68878   -0.01395   -0.71812
 52 O     1.68878   -0.01395   -0.71812
 53 O     0.00000   -0.01119   -1.40646
 54 O     0.00000   -0.00201    1.78209
 55 Pt    0.00000   -0.01222    0.51970
 56 Pt   -0.00000    0.12223    0.65697
 57 O    -1.61332    0.01379    0.09207
 58 O     1.61332    0.01379    0.09207
 59 O     0.00000   -0.02122   -0.51591
 60 O     0.00000   -0.21189   -0.11775
 61 Pt   -0.00000    0.01193   -0.09029
 62 Pt   -0.00000    0.01718   -0.00419
 63 O    -0.01537   -0.00788    0.00414
 64 O     0.01537   -0.00788    0.00414
 65 O     0.00000   -0.00009    0.01201
 66 O     0.00000   -0.01310   -0.00550
 67 Pt   -0.00000    0.00790    0.02687
 68 Pt   -0.00000    0.15450    0.01780
 69 O    -0.01208   -0.00248   -0.02980
 70 O     0.01208   -0.00248   -0.02980
 71 O    -0.00000    0.00832   -0.05505
 72 N     0.00000   -0.66441   -0.09010
 73 N    -0.00000    0.57110    0.32254

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
                 N   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 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    3.378699   24.506511    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.332928   24.132358    ( 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  04:29:14  -2.84   +inf  -414.507180    3      1      
iter:   2  04:31:11  -2.44  -2.37  -421.672666    3      1      
iter:   3  04:33:06  -2.88  -1.72  -414.371437    4      1      
iter:   4  04:35:01  -3.21  -2.54  -414.240510    3      1      
iter:   5  04:36:56  -3.83  -3.35  -414.231139    3      1      
iter:   6  04:38:51  -4.35  -3.57  -414.229517    3      1      
iter:   7  04:40:52  -4.69  -3.72  -414.228703    2      1      
iter:   8  04:42:54  -5.09  -4.07  -414.228954    3      1      
iter:   9  04:44:56  -5.22  -3.92  -414.228471    2      1      
iter:  10  04:46:58  -5.60  -4.08  -414.228136    2      1      
iter:  11  04:49:00  -6.09  -4.39  -414.228336    2      1      
iter:  12  04:51:02  -6.40  -4.40  -414.227987    2      1      
iter:  13  04:53:04  -7.00  -4.48  -414.228035    2      1      
iter:  14  04:55:06  -7.09  -4.53  -414.228216    2      1      
iter:  15  04:57:08  -7.29  -4.44  -414.228108    2      1      
iter:  16  04:59:10  -7.18  -4.80  -414.228208    2      1      
iter:  17  05:01:12  -7.48  -4.76  -414.228132    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963064, -32.542218, 0.020707) |e|*Ang

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

Kinetic:        +17.461351
Potential:     -136.544593
External:        +0.000000
XC:            -304.864421
Entropy (-ST):   -1.565840
Local:          +10.502451
--------------------------
Free energy:   -415.011052
Extrapolated:  -414.228132

Fermi level: -6.51679

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58494    0.14757
  0   340     -6.57111    0.14057
  0   341     -6.57022    0.14011
  0   342     -6.54195    0.12502

  1   339     -6.49123    0.19398
  1   340     -6.44292    0.14368
  1   341     -6.40807    0.11207
  1   342     -6.40462    0.10920



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17473
  1 Pt    0.00000   -0.00260   -0.37510
  2 Pt    0.00000   -0.01907   -0.43383
  3 O    -1.68194    0.00025   -0.71862
  4 O     1.68194    0.00025   -0.71862
  5 O     0.00000   -0.01129   -1.38740
  6 O     0.00000   -0.00279    1.77006
  7 Pt   -0.00000    0.01396    0.45210
  8 Pt    0.00000   -0.04098    0.75502
  9 O    -1.58063    0.00052    0.05154
 10 O     1.58063    0.00052    0.05154
 11 O     0.00000   -0.00887   -0.56639
 12 O    -0.00000    0.00844    0.13590
 13 Pt   -0.00000    0.29081   -0.03690
 14 Pt    0.00000   -0.02006    0.00780
 15 O    -0.00062    0.01071    0.00356
 16 O     0.00062    0.01071    0.00356
 17 O    -0.00000    0.01276   -1.08416
 18 O    -0.00000    0.00115    0.02606
 19 Pt    0.00000   -0.02222    0.13203
 20 Pt    0.00000   -0.04901    0.17355
 21 O    -0.21573    0.39283    0.22912
 22 O     0.21573    0.39283    0.22912
 23 O     0.00000   -0.01600   -0.08954
 24 O     0.00000   -0.00088    1.15063
 25 Pt   -0.00000    0.01721   -0.37799
 26 Pt    0.00000   -0.00015   -0.43439
 27 O    -1.69049    0.01335   -0.71797
 28 O     1.69049    0.01335   -0.71797
 29 O    -0.00000    0.04529   -1.38967
 30 O     0.00000   -0.00449    1.83578
 31 Pt   -0.00000    0.01915    0.51199
 32 Pt    0.00000   -0.13992    0.58080
 33 O    -1.61350   -0.01901    0.07070
 34 O     1.61350   -0.01901    0.07070
 35 O     0.00000   -0.03248   -0.52526
 36 O    -0.00000    0.22199   -0.12096
 37 Pt    0.00000   -0.32407   -0.04268
 38 Pt    0.00000   -0.00373   -0.01139
 39 O     0.01032    0.01145    0.01589
 40 O    -0.01032    0.01145    0.01589
 41 O     0.00000    0.00069    0.00191
 42 O    -0.00000    0.03416   -0.01774
 43 Pt    0.00000   -0.00981    0.09998
 44 Pt    0.00000   -0.08384    0.02022
 45 O    -0.20823   -0.39556    0.21427
 46 O     0.20823   -0.39556    0.21427
 47 O     0.00000   -0.02326   -0.05712
 48 O    -0.00000    0.02231    1.17263
 49 Pt    0.00000   -0.02272   -0.37723
 50 Pt   -0.00000    0.02113   -0.43598
 51 O    -1.68983   -0.01392   -0.71814
 52 O     1.68983   -0.01392   -0.71814
 53 O     0.00000   -0.01118   -1.40599
 54 O     0.00000   -0.00198    1.77851
 55 Pt    0.00000   -0.01220    0.51762
 56 Pt   -0.00000    0.12213    0.65568
 57 O    -1.61369    0.01380    0.09131
 58 O     1.61369    0.01380    0.09131
 59 O     0.00000   -0.02121   -0.51661
 60 O     0.00000   -0.21215   -0.11832
 61 Pt   -0.00000    0.01185   -0.09342
 62 Pt   -0.00000    0.01716   -0.00649
 63 O    -0.01522   -0.00787    0.00302
 64 O     0.01522   -0.00787    0.00302
 65 O     0.00000    0.00003    0.00434
 66 O     0.00000   -0.01314   -0.00525
 67 Pt   -0.00000    0.00780    0.02733
 68 Pt   -0.00000    0.15464    0.01964
 69 O    -0.01077   -0.00282   -0.02864
 70 O     0.01077   -0.00282   -0.02864
 71 O    -0.00000    0.00844   -0.05380
 72 N     0.00000   -0.78526   -0.13158
 73 N    -0.00000    0.68576    0.39951

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
                 N   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 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    3.368527   24.528594    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.328291   24.149638    ( 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  05:07:46  -2.81   +inf  -414.251493    4      1      
iter:   2  05:09:51  -3.67  -3.16  -414.253768    3      1      
iter:   3  05:11:56  -4.09  -2.91  -414.251232    3      1      
iter:   4  05:14:01  -4.56  -2.94  -414.237587    3      1      
iter:   5  05:16:05  -4.94  -3.88  -414.235927    3      1      
iter:   6  05:18:10  -4.57  -3.75  -414.235244    3      1      
iter:   7  05:20:14  -4.99  -3.76  -414.235328    3      1      
iter:   8  05:22:18  -5.33  -4.27  -414.235389    2      1      
iter:   9  05:24:23  -5.85  -4.42  -414.235381    2      1      
iter:  10  05:26:28  -6.25  -4.37  -414.235156    2      1      
iter:  11  05:28:33  -6.32  -4.66  -414.235390    2      1      
iter:  12  05:30:37  -6.75  -4.71  -414.235044    2      1      
iter:  13  05:32:43  -6.92  -4.53  -414.235233    2      1      
iter:  14  05:34:47  -7.17  -4.89  -414.235309    2      1      
iter:  15  05:36:51  -7.60  -4.78  -414.235237    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963148, -32.541850, 0.020279) |e|*Ang

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

Kinetic:        +17.914360
Potential:     -136.900159
External:        +0.000000
XC:            -304.967850
Entropy (-ST):   -1.565875
Local:          +10.501349
--------------------------
Free energy:   -415.018174
Extrapolated:  -414.235237

Fermi level: -6.51745

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58574    0.14764
  0   340     -6.57159    0.14048
  0   341     -6.57068    0.14001
  0   342     -6.54281    0.12513

  1   339     -6.49175    0.19383
  1   340     -6.44344    0.14355
  1   341     -6.40872    0.11206
  1   342     -6.40555    0.10942



Forces in eV/Ang:
  0 O     0.00000   -0.01755    1.17427
  1 Pt    0.00000   -0.00261   -0.37617
  2 Pt    0.00000   -0.01907   -0.43457
  3 O    -1.68320    0.00024   -0.71891
  4 O     1.68320    0.00024   -0.71891
  5 O     0.00000   -0.01126   -1.38698
  6 O     0.00000   -0.00273    1.76648
  7 Pt   -0.00000    0.01397    0.45055
  8 Pt    0.00000   -0.04102    0.75430
  9 O    -1.58081    0.00053    0.05081
 10 O     1.58081    0.00053    0.05081
 11 O     0.00000   -0.00886   -0.56719
 12 O    -0.00000    0.00844    0.13579
 13 Pt   -0.00000    0.29152   -0.03840
 14 Pt    0.00000   -0.02020    0.00768
 15 O    -0.00012    0.01071    0.00306
 16 O     0.00012    0.01071    0.00306
 17 O    -0.00000    0.01262   -1.09125
 18 O    -0.00000    0.00093    0.02677
 19 Pt    0.00000   -0.02181    0.13397
 20 Pt    0.00000   -0.05025    0.17469
 21 O    -0.21465    0.39321    0.23298
 22 O     0.21465    0.39321    0.23298
 23 O     0.00000   -0.01538   -0.08894
 24 O     0.00000   -0.00086    1.15018
 25 Pt   -0.00000    0.01724   -0.37901
 26 Pt    0.00000   -0.00014   -0.43514
 27 O    -1.69174    0.01338   -0.71826
 28 O     1.69174    0.01338   -0.71826
 29 O    -0.00000    0.04522   -1.38932
 30 O     0.00000   -0.00453    1.83213
 31 Pt   -0.00000    0.01914    0.51042
 32 Pt    0.00000   -0.13977    0.58022
 33 O    -1.61366   -0.01899    0.06995
 34 O     1.61366   -0.01899    0.06995
 35 O     0.00000   -0.03250   -0.52608
 36 O    -0.00000    0.22244   -0.12148
 37 Pt    0.00000   -0.32470   -0.04459
 38 Pt    0.00000   -0.00355   -0.01142
 39 O     0.01090    0.01147    0.01524
 40 O    -0.01090    0.01147    0.01524
 41 O     0.00000    0.00118   -0.00238
 42 O    -0.00000    0.03468   -0.01714
 43 Pt    0.00000   -0.00979    0.10364
 44 Pt    0.00000   -0.08353    0.02456
 45 O    -0.20849   -0.39634    0.22229
 46 O     0.20849   -0.39634    0.22229
 47 O     0.00000   -0.02377   -0.05618
 48 O    -0.00000    0.02230    1.17217
 49 Pt    0.00000   -0.02274   -0.37830
 50 Pt   -0.00000    0.02112   -0.43678
 51 O    -1.69110   -0.01394   -0.71842
 52 O     1.69110   -0.01394   -0.71842
 53 O     0.00000   -0.01113   -1.40560
 54 O     0.00000   -0.00200    1.77485
 55 Pt    0.00000   -0.01220    0.51604
 56 Pt   -0.00000    0.12202    0.65504
 57 O    -1.61388    0.01377    0.09056
 58 O     1.61388    0.01377    0.09056
 59 O     0.00000   -0.02120   -0.51733
 60 O     0.00000   -0.21259   -0.11872
 61 Pt   -0.00000    0.01176   -0.09486
 62 Pt   -0.00000    0.01713   -0.00649
 63 O    -0.01471   -0.00787    0.00254
 64 O     0.01471   -0.00787    0.00254
 65 O     0.00000   -0.00000    0.00089
 66 O     0.00000   -0.01336   -0.00466
 67 Pt   -0.00000    0.00749    0.02902
 68 Pt   -0.00000    0.15450    0.02312
 69 O    -0.00949   -0.00320   -0.02512
 70 O     0.00949   -0.00320   -0.02512
 71 O    -0.00000    0.00835   -0.05262
 72 N     0.00000   -0.23417    0.01942
 73 N    -0.00000    0.23291    0.10746

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N   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 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    3.363685   24.548118    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.325263   24.162073    ( 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  05:54:18  -3.02   +inf  -414.237513    3      1      
iter:   2  05:56:23  -3.95  -3.83  -414.241680    3      1      
iter:   3  05:58:26  -4.51  -3.68  -414.239677    3      1      
iter:   4  06:00:30  -4.97  -3.66  -414.239274    2      1      
iter:   5  06:02:34  -5.11  -3.74  -414.239273    2      1      
iter:   6  06:04:33  -4.88  -4.24  -414.238449    3      1      
iter:   7  06:06:27  -5.53  -4.21  -414.238602    2      1      
iter:   8  06:08:23  -5.99  -4.60  -414.238510    2      1      
iter:   9  06:10:17  -6.23  -4.76  -414.238646    2      1      
iter:  10  06:12:12  -6.44  -4.58  -414.238527    2      1      
iter:  11  06:14:07  -6.81  -4.92  -414.238600    2      1      
iter:  12  06:16:08  -7.23  -5.02  -414.238528    2      1      
iter:  13  06:18:10  -7.42  -4.61  -414.238552    2      1      

Converged after 13 iterations.

Dipole moment: (-55.963142, -32.541807, 0.019816) |e|*Ang

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

Kinetic:        +17.822628
Potential:     -136.840303
External:        +0.000000
XC:            -304.937461
Entropy (-ST):   -1.565951
Local:          +10.499559
--------------------------
Free energy:   -415.021528
Extrapolated:  -414.238552

Fermi level: -6.51801

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58645    0.14771
  0   340     -6.57206    0.14043
  0   341     -6.57114    0.13995
  0   342     -6.54354    0.12522

  1   339     -6.49226    0.19376
  1   340     -6.44392    0.14346
  1   341     -6.40934    0.11210
  1   342     -6.40631    0.10958



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17477
  1 Pt    0.00000   -0.00261   -0.37571
  2 Pt    0.00000   -0.01917   -0.43382
  3 O    -1.68360    0.00017   -0.71859
  4 O     1.68360    0.00017   -0.71859
  5 O     0.00000   -0.01123   -1.38708
  6 O     0.00000   -0.00266    1.76526
  7 Pt   -0.00000    0.01406    0.45018
  8 Pt    0.00000   -0.04091    0.75382
  9 O    -1.58067    0.00069    0.05081
 10 O     1.58067    0.00069    0.05081
 11 O     0.00000   -0.00881   -0.56752
 12 O    -0.00000    0.00836    0.13555
 13 Pt   -0.00000    0.29210   -0.03837
 14 Pt    0.00000   -0.02026    0.00746
 15 O    -0.00023    0.01064    0.00338
 16 O     0.00023    0.01064    0.00338
 17 O    -0.00000    0.01238   -1.09273
 18 O    -0.00000    0.00135    0.02653
 19 Pt    0.00000   -0.02270    0.13102
 20 Pt    0.00000   -0.04899    0.17629
 21 O    -0.21502    0.39360    0.23019
 22 O     0.21502    0.39360    0.23019
 23 O     0.00000   -0.01612   -0.08909
 24 O     0.00000   -0.00078    1.15066
 25 Pt   -0.00000    0.01725   -0.37843
 26 Pt    0.00000   -0.00004   -0.43441
 27 O    -1.69207    0.01337   -0.71793
 28 O     1.69207    0.01337   -0.71793
 29 O    -0.00000    0.04517   -1.38954
 30 O     0.00000   -0.00462    1.83092
 31 Pt   -0.00000    0.01914    0.51005
 32 Pt    0.00000   -0.13985    0.57999
 33 O    -1.61362   -0.01901    0.06993
 34 O     1.61362   -0.01901    0.06993
 35 O     0.00000   -0.03254   -0.52634
 36 O    -0.00000    0.22287   -0.12183
 37 Pt    0.00000   -0.32536   -0.04442
 38 Pt    0.00000   -0.00338   -0.01169
 39 O     0.01075    0.01148    0.01570
 40 O    -0.01075    0.01148    0.01570
 41 O     0.00000    0.00150   -0.00450
 42 O    -0.00000    0.03424   -0.01723
 43 Pt    0.00000   -0.00961    0.10101
 44 Pt    0.00000   -0.08456    0.02140
 45 O    -0.20930   -0.39737    0.22017
 46 O     0.20930   -0.39737    0.22017
 47 O     0.00000   -0.02296   -0.05686
 48 O    -0.00000    0.02231    1.17267
 49 Pt    0.00000   -0.02274   -0.37787
 50 Pt   -0.00000    0.02112   -0.43621
 51 O    -1.69150   -0.01387   -0.71811
 52 O     1.69150   -0.01387   -0.71811
 53 O     0.00000   -0.01112   -1.40590
 54 O     0.00000   -0.00198    1.77307
 55 Pt    0.00000   -0.01229    0.51573
 56 Pt   -0.00000    0.12198    0.65486
 57 O    -1.61372    0.01362    0.09057
 58 O     1.61372    0.01362    0.09057
 59 O     0.00000   -0.02122   -0.51756
 60 O     0.00000   -0.21295   -0.11869
 61 Pt   -0.00000    0.01189   -0.09533
 62 Pt   -0.00000    0.01701   -0.00656
 63 O    -0.01490   -0.00780    0.00288
 64 O     0.01490   -0.00780    0.00288
 65 O     0.00000   -0.00003   -0.00239
 66 O     0.00000   -0.01336   -0.00471
 67 Pt   -0.00000    0.00817    0.02565
 68 Pt   -0.00000    0.15436    0.01778
 69 O    -0.00942   -0.00294   -0.02831
 70 O     0.00942   -0.00294   -0.02831
 71 O    -0.00000    0.00827   -0.05397
 72 N     0.00000   -0.37163   -0.07509
 73 N    -0.00000    0.33147    0.23962

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N   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 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    3.356891   24.574252    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.321960   24.179261    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:31:55  -2.78   +inf  -414.266790    3      1      
iter:   2  06:33:59  -3.36  -2.93  -414.841696    3      1      
iter:   3  06:36:02  -3.69  -2.21  -414.244504    3      1      
iter:   4  06:38:05  -4.41  -3.61  -414.246130    3      1      
iter:   5  06:40:08  -4.84  -3.86  -414.243605    3      1      
iter:   6  06:42:11  -4.64  -3.88  -414.242406    3      1      
iter:   7  06:44:15  -5.02  -3.91  -414.243712    3      1      
iter:   8  06:46:18  -5.19  -4.37  -414.243484    3      1      
iter:   9  06:48:22  -5.96  -4.28  -414.243359    2      1      
iter:  10  06:50:25  -6.40  -4.38  -414.243572    2      1      
iter:  11  06:52:29  -6.51  -4.56  -414.242998    2      1      
iter:  12  06:54:32  -6.56  -4.42  -414.243445    2      1      
iter:  13  06:56:34  -7.11  -4.74  -414.243424    2      1      
iter:  14  06:58:35  -7.11  -4.81  -414.243363    2      1      
iter:  15  07:00:37  -7.25  -4.89  -414.243466    2      1      
iter:  16  07:02:40  -7.58  -4.36  -414.243352    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963192, -32.541234, 0.017286) |e|*Ang

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

Kinetic:        +17.788735
Potential:     -136.818970
External:        +0.000000
XC:            -304.928042
Entropy (-ST):   -1.565920
Local:          +10.497885
--------------------------
Free energy:   -415.026313
Extrapolated:  -414.243352

Fermi level: -6.52011

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58829    0.14758
  0   340     -6.57424    0.14047
  0   341     -6.57336    0.14001
  0   342     -6.54568    0.12524

  1   339     -6.49441    0.19381
  1   340     -6.44610    0.14355
  1   341     -6.41157    0.11221
  1   342     -6.40847    0.10964



Forces in eV/Ang:
  0 O     0.00000   -0.01761    1.17426
  1 Pt    0.00000   -0.00255   -0.37617
  2 Pt    0.00000   -0.01913   -0.43452
  3 O    -1.68314    0.00022   -0.71889
  4 O     1.68314    0.00022   -0.71889
  5 O     0.00000   -0.01128   -1.38730
  6 O     0.00000   -0.00279    1.76674
  7 Pt   -0.00000    0.01403    0.45022
  8 Pt    0.00000   -0.04106    0.75418
  9 O    -1.58063    0.00065    0.05018
 10 O     1.58063    0.00065    0.05018
 11 O     0.00000   -0.00886   -0.56789
 12 O    -0.00000    0.00845    0.13502
 13 Pt   -0.00000    0.29279   -0.03865
 14 Pt    0.00000   -0.02019    0.00732
 15 O    -0.00018    0.01076    0.00234
 16 O     0.00018    0.01076    0.00234
 17 O    -0.00000    0.01242   -1.09556
 18 O    -0.00000    0.00130    0.02593
 19 Pt    0.00000   -0.02237    0.13439
 20 Pt    0.00000   -0.05117    0.17455
 21 O    -0.21557    0.39413    0.23222
 22 O     0.21557    0.39413    0.23222
 23 O     0.00000   -0.01646   -0.08781
 24 O     0.00000   -0.00081    1.15015
 25 Pt   -0.00000    0.01726   -0.37897
 26 Pt    0.00000   -0.00007   -0.43512
 27 O    -1.69164    0.01337   -0.71825
 28 O     1.69164    0.01337   -0.71825
 29 O    -0.00000    0.04519   -1.38979
 30 O     0.00000   -0.00448    1.83240
 31 Pt   -0.00000    0.01916    0.51019
 32 Pt    0.00000   -0.13960    0.58049
 33 O    -1.61350   -0.01902    0.06934
 34 O     1.61350   -0.01902    0.06934
 35 O     0.00000   -0.03250   -0.52663
 36 O    -0.00000    0.22314   -0.12263
 37 Pt    0.00000   -0.32589   -0.04496
 38 Pt    0.00000   -0.00348   -0.01203
 39 O     0.01077    0.01146    0.01468
 40 O    -0.01077    0.01146    0.01468
 41 O     0.00000    0.00180   -0.00290
 42 O    -0.00000    0.03428   -0.01803
 43 Pt    0.00000   -0.00991    0.10377
 44 Pt    0.00000   -0.08368    0.02101
 45 O    -0.21033   -0.39845    0.22325
 46 O     0.21033   -0.39845    0.22325
 47 O     0.00000   -0.02314   -0.05573
 48 O    -0.00000    0.02231    1.17215
 49 Pt    0.00000   -0.02281   -0.37833
 50 Pt   -0.00000    0.02111   -0.43688
 51 O    -1.69106   -0.01391   -0.71841
 52 O     1.69106   -0.01391   -0.71841
 53 O     0.00000   -0.01109   -1.40594
 54 O     0.00000   -0.00199    1.77484
 55 Pt    0.00000   -0.01228    0.51576
 56 Pt   -0.00000    0.12188    0.65519
 57 O    -1.61365    0.01367    0.08992
 58 O     1.61365    0.01367    0.08992
 59 O     0.00000   -0.02121   -0.51805
 60 O     0.00000   -0.21333   -0.11950
 61 Pt   -0.00000    0.01178   -0.09563
 62 Pt   -0.00000    0.01703   -0.00682
 63 O    -0.01482   -0.00790    0.00180
 64 O     0.01482   -0.00790    0.00180
 65 O     0.00000   -0.00010    0.00002
 66 O     0.00000   -0.01330   -0.00565
 67 Pt   -0.00000    0.00822    0.02807
 68 Pt   -0.00000    0.15506    0.02204
 69 O    -0.00991   -0.00297   -0.02681
 70 O     0.00991   -0.00297   -0.02681
 71 O    -0.00000    0.00882   -0.05223
 72 N     0.00000   -0.42063   -0.01944
 73 N    -0.00000    0.31937    0.21089

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N   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 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    3.348929   24.602421    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.319318   24.196893    ( 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  07:10:55  -2.71   +inf  -414.255844    3      1      
iter:   2  07:13:00  -3.57  -3.32  -414.307132    3      1      
iter:   3  07:15:04  -4.02  -2.68  -414.250109    3      1      
iter:   4  07:17:08  -4.53  -3.32  -414.250096    3      1      
iter:   5  07:19:12  -4.76  -3.93  -414.248190    3      1      
iter:   6  07:21:15  -4.55  -3.78  -414.247650    3      1      
iter:   7  07:23:19  -5.16  -4.15  -414.248071    2      1      
iter:   8  07:25:23  -5.53  -4.33  -414.248058    2      1      
iter:   9  07:27:27  -5.93  -4.61  -414.248324    2      1      
iter:  10  07:29:31  -6.17  -4.35  -414.248429    2      1      
iter:  11  07:31:35  -6.58  -4.07  -414.247981    2      1      
iter:  12  07:33:40  -6.75  -4.76  -414.248084    2      1      
iter:  13  07:35:45  -7.03  -4.80  -414.247916    2      1      
iter:  14  07:37:50  -7.19  -4.75  -414.248016    2      1      
iter:  15  07:39:55  -7.18  -4.87  -414.248004    2      1      
iter:  16  07:41:53  -7.61  -5.11  -414.248039    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963228, -32.541181, 0.016307) |e|*Ang

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

Kinetic:        +17.911324
Potential:     -136.920805
External:        +0.000000
XC:            -304.952975
Entropy (-ST):   -1.565956
Local:          +10.497395
--------------------------
Free energy:   -415.031017
Extrapolated:  -414.248039

Fermi level: -6.52116

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58944    0.14764
  0   340     -6.57517    0.14041
  0   341     -6.57427    0.13994
  0   342     -6.54690    0.12533

  1   339     -6.49536    0.19371
  1   340     -6.44704    0.14345
  1   341     -6.41271    0.11229
  1   342     -6.40968    0.10977



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17412
  1 Pt    0.00000   -0.00262   -0.37632
  2 Pt    0.00000   -0.01907   -0.43484
  3 O    -1.68372    0.00025   -0.71860
  4 O     1.68372    0.00025   -0.71860
  5 O     0.00000   -0.01123   -1.38677
  6 O     0.00000   -0.00287    1.76457
  7 Pt   -0.00000    0.01401    0.45028
  8 Pt    0.00000   -0.04124    0.75445
  9 O    -1.58096    0.00055    0.05115
 10 O     1.58096    0.00055    0.05115
 11 O     0.00000   -0.00887   -0.56728
 12 O    -0.00000    0.00852    0.13547
 13 Pt   -0.00000    0.29365   -0.03877
 14 Pt    0.00000   -0.02005    0.00724
 15 O    -0.00009    0.01086    0.00297
 16 O     0.00009    0.01086    0.00297
 17 O    -0.00000    0.01226   -1.10007
 18 O    -0.00000    0.00097    0.02674
 19 Pt    0.00000   -0.02180    0.13544
 20 Pt    0.00000   -0.05040    0.17925
 21 O    -0.21523    0.39471    0.23346
 22 O     0.21523    0.39471    0.23346
 23 O     0.00000   -0.01562   -0.08706
 24 O     0.00000   -0.00083    1.15002
 25 Pt   -0.00000    0.01729   -0.37918
 26 Pt    0.00000   -0.00013   -0.43543
 27 O    -1.69227    0.01337   -0.71796
 28 O     1.69227    0.01337   -0.71796
 29 O    -0.00000    0.04512   -1.38930
 30 O     0.00000   -0.00440    1.83024
 31 Pt   -0.00000    0.01916    0.51035
 32 Pt    0.00000   -0.13932    0.58086
 33 O    -1.61371   -0.01901    0.07034
 34 O     1.61371   -0.01901    0.07034
 35 O     0.00000   -0.03248   -0.52611
 36 O    -0.00000    0.22334   -0.12255
 37 Pt    0.00000   -0.32653   -0.04556
 38 Pt    0.00000   -0.00364   -0.01199
 39 O     0.01080    0.01147    0.01519
 40 O    -0.01080    0.01147    0.01519
 41 O     0.00000    0.00194   -0.00548
 42 O    -0.00000    0.03492   -0.01742
 43 Pt    0.00000   -0.01014    0.10765
 44 Pt    0.00000   -0.08431    0.02605
 45 O    -0.21154   -0.39951    0.22962
 46 O     0.21154   -0.39951    0.22962
 47 O     0.00000   -0.02382   -0.05490
 48 O    -0.00000    0.02231    1.17203
 49 Pt    0.00000   -0.02278   -0.37846
 50 Pt   -0.00000    0.02111   -0.43708
 51 O    -1.69162   -0.01395   -0.71810
 52 O     1.69162   -0.01395   -0.71810
 53 O     0.00000   -0.01107   -1.40534
 54 O     0.00000   -0.00199    1.77308
 55 Pt    0.00000   -0.01225    0.51582
 56 Pt   -0.00000    0.12177    0.65534
 57 O    -1.61400    0.01376    0.09087
 58 O     1.61400    0.01376    0.09087
 59 O     0.00000   -0.02121   -0.51760
 60 O     0.00000   -0.21361   -0.11941
 61 Pt   -0.00000    0.01160   -0.09588
 62 Pt   -0.00000    0.01705   -0.00671
 63 O    -0.01479   -0.00801    0.00246
 64 O     0.01479   -0.00801    0.00246
 65 O     0.00000    0.00000   -0.00089
 66 O     0.00000   -0.01356   -0.00505
 67 Pt   -0.00000    0.00791    0.02869
 68 Pt   -0.00000    0.15489    0.02361
 69 O    -0.00937   -0.00322   -0.02583
 70 O     0.00937   -0.00322   -0.02583
 71 O    -0.00000    0.00864   -0.05174
 72 N     0.00000   -0.19368    0.03147
 73 N    -0.00000    0.17837    0.15215

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N   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    3.341465   24.630478    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.316764   24.213978    ( 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  07:46:12  -2.72   +inf  -414.279727    3      1      
iter:   2  07:48:07  -3.28  -2.88  -414.997461    3      1      
iter:   3  07:50:03  -3.67  -2.16  -414.251792    3      1      
iter:   4  07:52:06  -4.37  -3.54  -414.253818    3      1      
iter:   5  07:54:09  -4.80  -3.83  -414.251180    3      1      
iter:   6  07:56:11  -4.58  -3.87  -414.249482    3      1      
iter:   7  07:58:13  -4.95  -3.86  -414.251048    3      1      
iter:   8  08:00:16  -5.12  -4.22  -414.250876    3      1      
iter:   9  08:02:19  -5.85  -4.11  -414.250635    2      1      
iter:  10  08:04:22  -6.30  -4.41  -414.250887    2      1      
iter:  11  08:06:25  -6.40  -4.51  -414.250221    3      1      
iter:  12  08:08:28  -6.45  -4.36  -414.250725    2      1      
iter:  13  08:10:33  -6.96  -4.74  -414.250692    2      1      
iter:  14  08:12:39  -7.01  -4.84  -414.250632    2      1      
iter:  15  08:14:44  -7.29  -4.64  -414.250789    2      1      
iter:  16  08:16:50  -7.36  -4.30  -414.250616    2      1      
iter:  17  08:18:47  -7.65  -5.10  -414.250735    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963231, -32.540690, 0.013854) |e|*Ang

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

Kinetic:        +18.000667
Potential:     -137.008148
External:        +0.000000
XC:            -304.960167
Entropy (-ST):   -1.565695
Local:          +10.499760
--------------------------
Free energy:   -415.033583
Extrapolated:  -414.250735

Fermi level: -6.52306

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59107    0.14751
  0   340     -6.57723    0.14049
  0   341     -6.57637    0.14005
  0   342     -6.54881    0.12534

  1   339     -6.49717    0.19362
  1   340     -6.44909    0.14359
  1   341     -6.41478    0.11243
  1   342     -6.41156    0.10976



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17453
  1 Pt    0.00000   -0.00265   -0.37641
  2 Pt    0.00000   -0.01905   -0.43464
  3 O    -1.68354    0.00024   -0.71865
  4 O     1.68354    0.00024   -0.71865
  5 O     0.00000   -0.01118   -1.38724
  6 O     0.00000   -0.00281    1.76555
  7 Pt   -0.00000    0.01398    0.45022
  8 Pt    0.00000   -0.04130    0.75405
  9 O    -1.58082    0.00050    0.05040
 10 O     1.58082    0.00050    0.05040
 11 O     0.00000   -0.00886   -0.56713
 12 O    -0.00000    0.00850    0.13505
 13 Pt   -0.00000    0.29441   -0.03751
 14 Pt    0.00000   -0.02009    0.00835
 15 O    -0.00030    0.01086    0.00308
 16 O     0.00030    0.01086    0.00308
 17 O    -0.00000    0.01211   -1.09867
 18 O    -0.00000    0.00085    0.02628
 19 Pt    0.00000   -0.02155    0.13539
 20 Pt    0.00000   -0.04967    0.18068
 21 O    -0.21631    0.39595    0.23283
 22 O     0.21631    0.39595    0.23283
 23 O     0.00000   -0.01543   -0.08828
 24 O     0.00000   -0.00085    1.15043
 25 Pt   -0.00000    0.01733   -0.37924
 26 Pt    0.00000   -0.00015   -0.43523
 27 O    -1.69209    0.01337   -0.71802
 28 O     1.69209    0.01337   -0.71802
 29 O    -0.00000    0.04505   -1.38982
 30 O     0.00000   -0.00443    1.83120
 31 Pt   -0.00000    0.01913    0.51020
 32 Pt    0.00000   -0.13918    0.58054
 33 O    -1.61355   -0.01899    0.06957
 34 O     1.61355   -0.01899    0.06957
 35 O     0.00000   -0.03251   -0.52605
 36 O    -0.00000    0.22367   -0.12328
 37 Pt    0.00000   -0.32709   -0.04437
 38 Pt    0.00000   -0.00362   -0.01066
 39 O     0.01070    0.01146    0.01533
 40 O    -0.01070    0.01146    0.01533
 41 O    -0.00000    0.00218   -0.00161
 42 O    -0.00000    0.03522   -0.01781
 43 Pt    0.00000   -0.01026    0.10927
 44 Pt    0.00000   -0.08508    0.02717
 45 O    -0.21387   -0.40117    0.23302
 46 O     0.21387   -0.40117    0.23302
 47 O     0.00000   -0.02370   -0.05591
 48 O    -0.00000    0.02232    1.17243
 49 Pt    0.00000   -0.02278   -0.37854
 50 Pt   -0.00000    0.02112   -0.43692
 51 O    -1.69144   -0.01393   -0.71815
 52 O     1.69144   -0.01393   -0.71815
 53 O     0.00000   -0.01105   -1.40579
 54 O     0.00000   -0.00200    1.77410
 55 Pt    0.00000   -0.01219    0.51570
 56 Pt   -0.00000    0.12169    0.65500
 57 O    -1.61390    0.01380    0.09008
 58 O     1.61390    0.01380    0.09008
 59 O     0.00000   -0.02120   -0.51746
 60 O     0.00000   -0.21395   -0.12007
 61 Pt   -0.00000    0.01145   -0.09491
 62 Pt   -0.00000    0.01707   -0.00561
 63 O    -0.01499   -0.00800    0.00257
 64 O     0.01499   -0.00800    0.00257
 65 O     0.00000    0.00003    0.00282
 66 O     0.00000   -0.01376   -0.00561
 67 Pt   -0.00000    0.00776    0.02846
 68 Pt   -0.00000    0.15506    0.02239
 69 O    -0.01005   -0.00343   -0.02657
 70 O     0.01005   -0.00343   -0.02657
 71 O    -0.00000    0.00831   -0.05312
 72 N     0.00000   -0.08227    0.08256
 73 N    -0.00000    0.07629    0.13083

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N   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    3.333963   24.658615    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.314488   24.230407    ( 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  08:23:19  -2.72   +inf  -414.251754    3      1      
iter:   2  08:25:24  -3.62  -3.50  -414.267698    3      1      
iter:   3  08:27:30  -4.13  -3.17  -414.259349    3      1      
iter:   4  08:29:35  -4.59  -3.33  -414.255233    3      1      
iter:   5  08:31:39  -4.66  -3.82  -414.254384    3      1      
iter:   6  08:33:45  -4.61  -3.81  -414.254091    3      1      
iter:   7  08:35:50  -5.25  -4.29  -414.254150    2      1      
iter:   8  08:37:54  -5.56  -4.32  -414.254357    2      1      
iter:   9  08:39:59  -5.88  -4.40  -414.253993    2      1      
iter:  10  08:42:04  -6.34  -4.63  -414.254457    2      1      
iter:  11  08:44:08  -6.80  -4.57  -414.254105    2      1      
iter:  12  08:46:13  -7.03  -4.77  -414.254125    2      1      
iter:  13  08:48:16  -7.17  -4.78  -414.254156    2      1      
iter:  14  08:50:19  -7.53  -5.03  -414.254145    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963255, -32.540735, 0.013006) |e|*Ang

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

Kinetic:        +18.028557
Potential:     -137.040945
External:        +0.000000
XC:            -304.960683
Entropy (-ST):   -1.565979
Local:          +10.501915
--------------------------
Free energy:   -415.037135
Extrapolated:  -414.254145

Fermi level: -6.52388

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59210    0.14761
  0   340     -6.57790    0.14041
  0   341     -6.57702    0.13996
  0   342     -6.54986    0.12546

  1   339     -6.49806    0.19370
  1   340     -6.44975    0.14343
  1   341     -6.41574    0.11256
  1   342     -6.41255    0.10989



Forces in eV/Ang:
  0 O     0.00000   -0.01761    1.17416
  1 Pt    0.00000   -0.00265   -0.37634
  2 Pt    0.00000   -0.01911   -0.43499
  3 O    -1.68352    0.00022   -0.71894
  4 O     1.68352    0.00022   -0.71894
  5 O     0.00000   -0.01121   -1.38702
  6 O     0.00000   -0.00288    1.76510
  7 Pt   -0.00000    0.01407    0.45021
  8 Pt    0.00000   -0.04134    0.75441
  9 O    -1.58104    0.00059    0.05081
 10 O     1.58104    0.00059    0.05081
 11 O     0.00000   -0.00886   -0.56737
 12 O    -0.00000    0.00851    0.13538
 13 Pt   -0.00000    0.29484   -0.03841
 14 Pt    0.00000   -0.01995    0.00752
 15 O    -0.00017    0.01089    0.00329
 16 O     0.00017    0.01089    0.00329
 17 O    -0.00000    0.01192   -1.10430
 18 O    -0.00000    0.00103    0.02722
 19 Pt    0.00000   -0.02168    0.13529
 20 Pt    0.00000   -0.04987    0.18022
 21 O    -0.21561    0.39594    0.23425
 22 O     0.21561    0.39594    0.23425
 23 O     0.00000   -0.01605   -0.08758
 24 O     0.00000   -0.00081    1.15006
 25 Pt   -0.00000    0.01734   -0.37915
 26 Pt    0.00000   -0.00011   -0.43559
 27 O    -1.69203    0.01337   -0.71831
 28 O     1.69203    0.01337   -0.71831
 29 O    -0.00000    0.04502   -1.38969
 30 O     0.00000   -0.00442    1.83084
 31 Pt   -0.00000    0.01916    0.51040
 32 Pt    0.00000   -0.13909    0.58110
 33 O    -1.61377   -0.01899    0.07000
 34 O     1.61377   -0.01899    0.07000
 35 O     0.00000   -0.03251   -0.52615
 36 O    -0.00000    0.22400   -0.12321
 37 Pt    0.00000   -0.32750   -0.04556
 38 Pt    0.00000   -0.00365   -0.01173
 39 O     0.01063    0.01148    0.01559
 40 O    -0.01063    0.01148    0.01559
 41 O    -0.00000    0.00247   -0.00603
 42 O    -0.00000    0.03512   -0.01717
 43 Pt    0.00000   -0.01044    0.10878
 44 Pt    0.00000   -0.08488    0.02560
 45 O    -0.21357   -0.40178    0.23487
 46 O     0.21357   -0.40178    0.23487
 47 O     0.00000   -0.02352   -0.05546
 48 O    -0.00000    0.02232    1.17207
 49 Pt    0.00000   -0.02279   -0.37850
 50 Pt   -0.00000    0.02113   -0.43736
 51 O    -1.69142   -0.01391   -0.71845
 52 O     1.69142   -0.01391   -0.71845
 53 O     0.00000   -0.01100   -1.40562
 54 O     0.00000   -0.00196    1.77339
 55 Pt    0.00000   -0.01231    0.51580
 56 Pt   -0.00000    0.12163    0.65537
 57 O    -1.61410    0.01371    0.09050
 58 O     1.61410    0.01371    0.09050
 59 O     0.00000   -0.02119   -0.51771
 60 O     0.00000   -0.21429   -0.11971
 61 Pt   -0.00000    0.01149   -0.09587
 62 Pt   -0.00000    0.01696   -0.00619
 63 O    -0.01493   -0.00806    0.00277
 64 O     0.01493   -0.00806    0.00277
 65 O     0.00000   -0.00002   -0.00096
 66 O     0.00000   -0.01378   -0.00482
 67 Pt   -0.00000    0.00817    0.02752
 68 Pt   -0.00000    0.15500    0.02248
 69 O    -0.00939   -0.00330   -0.02601
 70 O     0.00939   -0.00330   -0.02601
 71 O    -0.00000    0.00874   -0.05231
 72 N     0.00000   -0.08846    0.06114
 73 N    -0.00000    0.04633    0.19411

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N   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    3.325201   24.687899    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.311410   24.248591    ( 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  09:00:24  -2.66   +inf  -414.288619    3      1      
iter:   2  09:02:29  -3.25  -2.89  -414.975289    3      1      
iter:   3  09:04:33  -3.65  -2.17  -414.259288    3      1      
iter:   4  09:06:38  -4.31  -3.39  -414.261683    3      1      
iter:   5  09:08:43  -4.82  -3.79  -414.259022    3      1      
iter:   6  09:10:48  -4.53  -3.90  -414.256842    3      1      
iter:   7  09:12:53  -5.07  -3.87  -414.258783    2      1      
iter:   8  09:14:59  -5.02  -4.05  -414.258224    3      1      
iter:   9  09:17:01  -5.81  -4.41  -414.258101    2      1      
iter:  10  09:19:03  -6.17  -4.45  -414.258477    2      1      
iter:  11  09:21:06  -6.31  -4.32  -414.257715    3      1      
iter:  12  09:23:08  -6.48  -4.29  -414.258237    2      1      
iter:  13  09:25:10  -6.98  -4.66  -414.258176    2      1      
iter:  14  09:27:13  -6.98  -4.77  -414.258079    2      1      
iter:  15  09:29:11  -7.41  -4.64  -414.258127    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963264, -32.540493, 0.010663) |e|*Ang

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

Kinetic:        +18.152378
Potential:     -137.150780
External:        +0.000000
XC:            -304.978385
Entropy (-ST):   -1.565859
Local:          +10.501590
--------------------------
Free energy:   -415.041056
Extrapolated:  -414.258127

Fermi level: -6.52542

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59318    0.14738
  0   340     -6.57963    0.14051
  0   341     -6.57881    0.14009
  0   342     -6.55136    0.12544

  1   339     -6.49974    0.19384
  1   340     -6.45148    0.14361
  1   341     -6.41747    0.11271
  1   342     -6.41400    0.10982



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17400
  1 Pt    0.00000   -0.00260   -0.37635
  2 Pt    0.00000   -0.01913   -0.43478
  3 O    -1.68245    0.00022   -0.71888
  4 O     1.68245    0.00022   -0.71888
  5 O     0.00000   -0.01117   -1.38731
  6 O     0.00000   -0.00276    1.76948
  7 Pt   -0.00000    0.01402    0.45155
  8 Pt    0.00000   -0.04131    0.75580
  9 O    -1.58051    0.00065    0.05102
 10 O     1.58051    0.00065    0.05102
 11 O     0.00000   -0.00884   -0.56757
 12 O    -0.00000    0.00821    0.13532
 13 Pt   -0.00000    0.29536   -0.03704
 14 Pt    0.00000   -0.02026    0.00883
 15 O    -0.00006    0.01080    0.00312
 16 O     0.00006    0.01080    0.00312
 17 O    -0.00000    0.01165   -1.10322
 18 O    -0.00000    0.00113    0.02663
 19 Pt    0.00000   -0.02153    0.13662
 20 Pt    0.00000   -0.04946    0.18253
 21 O    -0.21662    0.39676    0.23454
 22 O     0.21662    0.39676    0.23454
 23 O     0.00000   -0.01581   -0.08822
 24 O     0.00000   -0.00078    1.14986
 25 Pt   -0.00000    0.01735   -0.37907
 26 Pt    0.00000   -0.00008   -0.43536
 27 O    -1.69096    0.01337   -0.71824
 28 O     1.69096    0.01337   -0.71824
 29 O    -0.00000    0.04497   -1.38996
 30 O     0.00000   -0.00449    1.83529
 31 Pt   -0.00000    0.01922    0.51155
 32 Pt    0.00000   -0.13902    0.58257
 33 O    -1.61329   -0.01898    0.07018
 34 O     1.61329   -0.01898    0.07018
 35 O     0.00000   -0.03251   -0.52623
 36 O    -0.00000    0.22439   -0.12335
 37 Pt    0.00000   -0.32783   -0.04414
 38 Pt    0.00000   -0.00344   -0.01084
 39 O     0.01096    0.01144    0.01541
 40 O    -0.01096    0.01144    0.01541
 41 O    -0.00000    0.00298   -0.00021
 42 O    -0.00000    0.03459   -0.01771
 43 Pt    0.00000   -0.01067    0.11134
 44 Pt    0.00000   -0.08623    0.02834
 45 O    -0.21532   -0.40291    0.23785
 46 O     0.21532   -0.40291    0.23785
 47 O     0.00000   -0.02417   -0.05561
 48 O    -0.00000    0.02235    1.17188
 49 Pt    0.00000   -0.02285   -0.37849
 50 Pt   -0.00000    0.02112   -0.43722
 51 O    -1.69036   -0.01391   -0.71838
 52 O     1.69036   -0.01391   -0.71838
 53 O     0.00000   -0.01098   -1.40595
 54 O     0.00000   -0.00200    1.77782
 55 Pt    0.00000   -0.01232    0.51712
 56 Pt   -0.00000    0.12153    0.65702
 57 O    -1.61355    0.01364    0.09070
 58 O     1.61355    0.01364    0.09070
 59 O     0.00000   -0.02122   -0.51761
 60 O     0.00000   -0.21437   -0.11977
 61 Pt   -0.00000    0.01134   -0.09444
 62 Pt   -0.00000    0.01706   -0.00530
 63 O    -0.01474   -0.00792    0.00254
 64 O     0.01474   -0.00792    0.00254
 65 O     0.00000   -0.00007    0.00364
 66 O     0.00000   -0.01331   -0.00557
 67 Pt   -0.00000    0.00829    0.02872
 68 Pt   -0.00000    0.15589    0.02400
 69 O    -0.01026   -0.00354   -0.02585
 70 O     0.01026   -0.00354   -0.02585
 71 O    -0.00000    0.00916   -0.05271
 72 N     0.00000   -0.00039    0.14969
 73 N     0.00000   -0.05263    0.08306

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N   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    3.317563   24.709668    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.308696   24.261329    ( 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  09:38:09  -2.90   +inf  -414.279534    3      1      
iter:   2  09:40:14  -3.44  -2.96  -414.804522    3      1      
iter:   3  09:42:19  -3.74  -2.24  -414.261062    3      1      
iter:   4  09:44:24  -4.34  -3.44  -414.262849    3      1      
iter:   5  09:46:29  -4.80  -3.82  -414.260904    3      1      
iter:   6  09:48:34  -4.75  -4.04  -414.260677    3      1      
iter:   7  09:50:39  -4.89  -3.78  -414.260804    3      1      
iter:   8  09:52:44  -5.50  -4.21  -414.260780    2      1      
iter:   9  09:54:50  -6.13  -4.54  -414.260857    2      1      
iter:  10  09:56:55  -6.64  -4.37  -414.260782    2      1      
iter:  11  09:59:00  -6.83  -4.55  -414.260661    2      1      
iter:  12  10:01:05  -6.91  -4.80  -414.261039    2      1      
iter:  13  10:03:11  -7.39  -4.57  -414.260769    2      1      
iter:  14  10:05:16  -7.78  -5.01  -414.260812    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963297, -32.541020, 0.010669) |e|*Ang

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

Kinetic:        +18.243317
Potential:     -137.224933
External:        +0.000000
XC:            -304.998570
Entropy (-ST):   -1.565895
Local:          +10.502321
--------------------------
Free energy:   -415.043759
Extrapolated:  -414.260812

Fermi level: -6.52556

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59334    0.14739
  0   340     -6.57979    0.14052
  0   341     -6.57898    0.14010
  0   342     -6.55160    0.12550

  1   339     -6.49983    0.19380
  1   340     -6.45160    0.14360
  1   341     -6.41775    0.11284
  1   342     -6.41419    0.10986



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17377
  1 Pt    0.00000   -0.00262   -0.37646
  2 Pt    0.00000   -0.01909   -0.43593
  3 O    -1.68240    0.00025   -0.71877
  4 O     1.68240    0.00025   -0.71877
  5 O     0.00000   -0.01115   -1.38700
  6 O     0.00000   -0.00278    1.77007
  7 Pt   -0.00000    0.01393    0.45353
  8 Pt    0.00000   -0.04145    0.75684
  9 O    -1.58098    0.00052    0.05265
 10 O     1.58098    0.00052    0.05265
 11 O     0.00000   -0.00885   -0.56638
 12 O    -0.00000    0.00821    0.13573
 13 Pt   -0.00000    0.29623   -0.03653
 14 Pt    0.00000   -0.02008    0.00856
 15 O    -0.00053    0.01103    0.00412
 16 O     0.00053    0.01103    0.00412
 17 O    -0.00000    0.01184   -1.10358
 18 O    -0.00000    0.00095    0.02671
 19 Pt    0.00000   -0.02101    0.13832
 20 Pt    0.00000   -0.04987    0.18510
 21 O    -0.21712    0.39748    0.23573
 22 O     0.21712    0.39748    0.23573
 23 O     0.00000   -0.01581   -0.08737
 24 O     0.00000   -0.00081    1.14965
 25 Pt   -0.00000    0.01738   -0.37923
 26 Pt    0.00000   -0.00011   -0.43653
 27 O    -1.69091    0.01338   -0.71815
 28 O     1.69091    0.01338   -0.71815
 29 O    -0.00000    0.04494   -1.38972
 30 O     0.00000   -0.00445    1.83578
 31 Pt   -0.00000    0.01914    0.51354
 32 Pt    0.00000   -0.13886    0.58373
 33 O    -1.61371   -0.01903    0.07185
 34 O     1.61371   -0.01903    0.07185
 35 O     0.00000   -0.03250   -0.52528
 36 O    -0.00000    0.22454   -0.12301
 37 Pt    0.00000   -0.32823   -0.04366
 38 Pt    0.00000   -0.00350   -0.01053
 39 O     0.01059    0.01142    0.01655
 40 O    -0.01059    0.01142    0.01655
 41 O    -0.00000    0.00294   -0.00133
 42 O    -0.00000    0.03554   -0.01791
 43 Pt    0.00000   -0.01068    0.11353
 44 Pt    0.00000   -0.08563    0.03023
 45 O    -0.21556   -0.40385    0.24110
 46 O     0.21556   -0.40385    0.24110
 47 O     0.00000   -0.02372   -0.05522
 48 O    -0.00000    0.02234    1.17164
 49 Pt    0.00000   -0.02286   -0.37862
 50 Pt   -0.00000    0.02112   -0.43830
 51 O    -1.69030   -0.01394   -0.71827
 52 O     1.69030   -0.01394   -0.71827
 53 O     0.00000   -0.01097   -1.40560
 54 O     0.00000   -0.00202    1.77868
 55 Pt    0.00000   -0.01214    0.51907
 56 Pt   -0.00000    0.12151    0.65808
 57 O    -1.61403    0.01381    0.09232
 58 O     1.61403    0.01381    0.09232
 59 O     0.00000   -0.02121   -0.51652
 60 O     0.00000   -0.21449   -0.11994
 61 Pt   -0.00000    0.01089   -0.09413
 62 Pt   -0.00000    0.01694   -0.00573
 63 O    -0.01524   -0.00816    0.00368
 64 O     0.01524   -0.00816    0.00368
 65 O     0.00000   -0.00019    0.00417
 66 O     0.00000   -0.01406   -0.00550
 67 Pt   -0.00000    0.00783    0.02969
 68 Pt   -0.00000    0.15563    0.02527
 69 O    -0.01014   -0.00362   -0.02480
 70 O     0.01014   -0.00362   -0.02480
 71 O    -0.00000    0.00869   -0.05200
 72 N    -0.00000    0.04744    0.13838
 73 N     0.00000   -0.13182   -0.01392

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N   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    3.306163   24.741183    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.303327   24.279461    ( 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  10:15:32  -2.57   +inf  -414.290507    3      1      
iter:   2  10:17:39  -3.19  -2.86  -415.087713    3      1      
iter:   3  10:19:44  -3.58  -2.15  -414.267895    3      1      
iter:   4  10:21:49  -4.16  -3.35  -414.267655    3      1      
iter:   5  10:23:54  -4.56  -3.80  -414.264773    3      1      
iter:   6  10:26:00  -4.37  -3.82  -414.264291    3      1      
iter:   7  10:28:06  -4.63  -3.75  -414.264384    3      1      
iter:   8  10:30:11  -5.25  -4.14  -414.264641    2      1      
iter:   9  10:32:18  -5.99  -4.36  -414.264623    2      1      
iter:  10  10:34:23  -6.33  -4.23  -414.264262    2      1      
iter:  11  10:36:28  -6.64  -4.41  -414.264934    2      1      
iter:  12  10:38:34  -6.86  -4.51  -414.264466    2      1      
iter:  13  10:40:39  -6.68  -4.61  -414.264589    2      1      
iter:  14  10:42:45  -7.25  -4.76  -414.264578    2      1      
iter:  15  10:44:50  -7.59  -5.11  -414.264562    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963301, -32.541221, 0.009586) |e|*Ang

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

Kinetic:        +18.249266
Potential:     -137.243039
External:        +0.000000
XC:            -304.989917
Entropy (-ST):   -1.565897
Local:          +10.502077
--------------------------
Free energy:   -415.047510
Extrapolated:  -414.264562

Fermi level: -6.52656

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59439    0.14741
  0   340     -6.58074    0.14050
  0   341     -6.57993    0.14008
  0   342     -6.55272    0.12556

  1   339     -6.50079    0.19375
  1   340     -6.45257    0.14356
  1   341     -6.41893    0.11298
  1   342     -6.41523    0.10989


