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

User:   hao@node032.cluster
Date:   Mon Dec 13 22:37:31 2021
Arch:   x86_64
Pid:    23897
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: 139.50 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    3.577732   24.065794    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.563802   23.623054    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:40:29  +0.87   +inf  -535.725266    4      1      
iter:   2  22:42:36  -0.13  -1.04  -493.851388    35     1      
iter:   3  22:44:41  +0.14  -1.11  -587.044953    36     1      
iter:   4  22:46:46  -0.33  -1.03  -418.585220    34     1      
iter:   5  22:48:52  -0.85  -1.46  -421.126844    4      1      
iter:   6  22:50:58  -1.61  -1.44  -420.148694    4      1      
iter:   7  22:53:04  -1.88  -1.45  -416.763680    4      1      
iter:   8  22:55:11  -1.91  -1.51  -417.623739    3      1      
iter:   9  22:57:17  -1.51  -1.54  -426.336653    36     1      
iter:  10  22:59:24  -1.70  -1.54  -415.926869    3      1      
iter:  11  23:01:31  -2.26  -1.74  -416.768952    4      1      
iter:  12  23:03:38  -2.03  -1.74  -416.797396    36     1      
iter:  13  23:05:44  -1.93  -1.72  -415.235707    4      1      
iter:  14  23:07:51  -2.36  -1.96  -415.285802    3      1      
iter:  15  23:09:58  -2.71  -1.91  -414.432196    3      1      
iter:  16  23:12:03  -2.44  -1.98  -414.154292    3      1      
iter:  17  23:14:11  -2.54  -2.05  -414.143342    3      1      
iter:  18  23:16:17  -2.54  -2.29  -414.091845    3      1      
iter:  19  23:18:24  -2.89  -2.53  -414.032944    3      1      
iter:  20  23:20:30  -3.43  -2.72  -414.033651    2      1      
iter:  21  23:22:37  -3.68  -2.72  -414.040938    2      1      
iter:  22  23:24:44  -3.66  -2.76  -414.028285    3      1      
iter:  23  23:26:50  -3.81  -2.84  -414.030473    3      1      
iter:  24  23:28:56  -4.16  -2.94  -414.030165    3      1      
iter:  25  23:31:04  -4.35  -2.90  -414.028838    2      1      
iter:  26  23:33:10  -4.25  -2.97  -414.019293    3      1      
iter:  27  23:35:17  -4.68  -3.18  -414.021529    3      1      
iter:  28  23:37:24  -4.68  -3.21  -414.022886    3      1      
iter:  29  23:39:31  -5.06  -3.33  -414.020159    3      1      
iter:  30  23:41:38  -4.91  -3.56  -414.023067    2      1      
iter:  31  23:43:45  -5.32  -3.54  -414.022106    2      1      
iter:  32  23:45:54  -5.60  -3.75  -414.022053    2      1      
iter:  33  23:48:01  -5.75  -3.84  -414.021624    2      1      
iter:  34  23:50:08  -5.51  -3.69  -414.021649    2      1      
iter:  35  23:52:14  -5.91  -4.28  -414.021836    2      1      
iter:  36  23:54:21  -6.25  -4.27  -414.021721    2      1      
iter:  37  23:56:29  -6.45  -4.46  -414.021919    2      1      
iter:  38  23:58:36  -6.74  -4.44  -414.021788    2      1      
iter:  39  00:00:42  -6.94  -4.49  -414.021813    2      1      
iter:  40  00:02:49  -7.17  -4.59  -414.021710    2      1      
iter:  41  00:04:50  -7.04  -4.62  -414.021706    2      1      
iter:  42  00:06:47  -6.91  -4.76  -414.021749    1      1      
iter:  43  00:08:44  -7.32  -4.90  -414.021745    2      1      
iter:  44  00:10:42  -7.57  -5.11  -414.021775    2      1      

Converged after 44 iterations.

Dipole moment: (-55.962110, -32.598393, 0.074665) |e|*Ang

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

Kinetic:        +19.690385
Potential:     -137.864545
External:        +0.000000
XC:            -305.582786
Entropy (-ST):   -1.563135
Local:          +10.516739
--------------------------
Free energy:   -414.803342
Extrapolated:  -414.021775

Fermi level: -6.47167

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54523    0.15023
  0   340     -6.52644    0.14080
  0   341     -6.52512    0.14012
  0   342     -6.49551    0.12429

  1   339     -6.44734    0.19532
  1   340     -6.39823    0.14410
  1   341     -6.36372    0.11271
  1   342     -6.35100    0.10235



Forces in eV/Ang:
  0 O     0.00000   -0.01738    1.17432
  1 Pt    0.00000   -0.00140   -0.37465
  2 Pt    0.00000   -0.01901   -0.43429
  3 O    -1.68348    0.00019   -0.71902
  4 O     1.68348    0.00019   -0.71902
  5 O     0.00000   -0.01166   -1.38856
  6 O     0.00000   -0.00256    1.76979
  7 Pt   -0.00000    0.01396    0.45113
  8 Pt    0.00000   -0.04025    0.75644
  9 O    -1.58142    0.00051    0.05115
 10 O     1.58142    0.00051    0.05115
 11 O     0.00000   -0.00898   -0.56505
 12 O    -0.00000    0.00594    0.13052
 13 Pt   -0.00000    0.23861   -0.03767
 14 Pt    0.00000   -0.01829    0.00675
 15 O    -0.00129    0.00950    0.00393
 16 O     0.00129    0.00950    0.00393
 17 O     0.00000   -0.03895   -0.87463
 18 O    -0.00000    0.00426    0.02508
 19 Pt    0.00000   -0.02558    0.10621
 20 Pt   -0.00000    0.09157    0.10677
 21 O    -0.19735    0.35011    0.22175
 22 O     0.19735    0.35011    0.22175
 23 O     0.00000   -0.01691   -0.07621
 24 O     0.00000   -0.00097    1.15049
 25 Pt   -0.00000    0.01556   -0.37818
 26 Pt    0.00000   -0.00024   -0.43426
 27 O    -1.69209    0.01347   -0.71825
 28 O     1.69209    0.01347   -0.71825
 29 O    -0.00000    0.04862   -1.38720
 30 O     0.00000   -0.00474    1.83454
 31 Pt   -0.00000    0.01886    0.51031
 32 Pt    0.00000   -0.14988    0.56970
 33 O    -1.61495   -0.01881    0.07035
 34 O     1.61495   -0.01881    0.07035
 35 O     0.00000   -0.03242   -0.52403
 36 O    -0.00000    0.19348   -0.10396
 37 Pt    0.00000   -0.25703   -0.03552
 38 Pt    0.00000   -0.00524   -0.00942
 39 O     0.00898    0.01169    0.01501
 40 O    -0.00898    0.01169    0.01501
 41 O     0.00000   -0.01156   -0.00680
 42 O    -0.00000    0.02777   -0.01562
 43 Pt    0.00000   -0.01314    0.01632
 44 Pt    0.00000   -0.03052   -0.03526
 45 O    -0.08989   -0.30361   -0.02721
 46 O     0.08989   -0.30361   -0.02721
 47 O     0.00000   -0.02217   -0.04499
 48 O    -0.00000    0.02218    1.17242
 49 Pt    0.00000   -0.02243   -0.37694
 50 Pt   -0.00000    0.02118   -0.43534
 51 O    -1.69120   -0.01396   -0.71869
 52 O     1.69120   -0.01396   -0.71869
 53 O     0.00000   -0.01335   -1.40449
 54 O     0.00000   -0.00195    1.77676
 55 Pt    0.00000   -0.01210    0.51621
 56 Pt   -0.00000    0.12979    0.64626
 57 O    -1.61398    0.01390    0.09240
 58 O     1.61398    0.01390    0.09240
 59 O     0.00000   -0.02108   -0.51552
 60 O     0.00000   -0.18321   -0.10440
 61 Pt   -0.00000    0.01150   -0.07985
 62 Pt   -0.00000    0.01684   -0.00730
 63 O    -0.01432   -0.00702    0.00284
 64 O     0.01432   -0.00702    0.00284
 65 O     0.00000   -0.00115    0.00285
 66 O     0.00000   -0.00960   -0.00141
 67 Pt   -0.00000    0.01053    0.02265
 68 Pt   -0.00000    0.14480    0.01411
 69 O    -0.00877    0.00204   -0.02825
 70 O     0.00877    0.00204   -0.02825
 71 O    -0.00000    0.00758   -0.04482
 72 N     0.00000   -0.12093    0.22384
 73 N     0.00000   -0.18312    0.57250

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    3.579123   24.065395    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.563748   23.630651    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:31:01  -3.83   +inf  -414.032089    3      1      
iter:   2  00:33:09  -4.28  -3.40  -414.075872    3      1      
iter:   3  00:35:16  -4.53  -2.72  -414.025286    3      1      
iter:   4  00:37:23  -5.08  -3.46  -414.025844    3      1      
iter:   5  00:39:28  -5.61  -4.38  -414.025311    3      1      
iter:   6  00:41:34  -5.43  -4.13  -414.025213    3      1      
iter:   7  00:43:44  -5.68  -4.33  -414.025538    2      1      
iter:   8  00:45:53  -6.03  -4.61  -414.025495    2      1      
iter:   9  00:48:00  -6.62  -4.72  -414.025623    2      1      
iter:  10  00:49:57  -6.94  -4.71  -414.025485    2      1      
iter:  11  00:51:53  -7.32  -4.37  -414.025517    2      1      
iter:  12  00:53:50  -7.36  -4.93  -414.025548    2      1      
iter:  13  00:55:48  -7.35  -4.94  -414.025434    2      1      
iter:  14  00:57:46  -8.02  -5.02  -414.025467    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962247, -32.596201, 0.073152) |e|*Ang

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

Kinetic:        +19.888650
Potential:     -138.007575
External:        +0.000000
XC:            -305.632985
Entropy (-ST):   -1.563274
Local:          +10.508079
--------------------------
Free energy:   -414.807104
Extrapolated:  -414.025467

Fermi level: -6.47319

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54675    0.15023
  0   340     -6.52785    0.14074
  0   341     -6.52653    0.14006
  0   342     -6.49705    0.12430

  1   339     -6.44881    0.19526
  1   340     -6.39967    0.14402
  1   341     -6.36524    0.11272
  1   342     -6.35250    0.10234



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17364
  1 Pt    0.00000   -0.00145   -0.37484
  2 Pt    0.00000   -0.01900   -0.43508
  3 O    -1.68340    0.00020   -0.71888
  4 O     1.68340    0.00020   -0.71888
  5 O     0.00000   -0.01170   -1.38799
  6 O     0.00000   -0.00258    1.76710
  7 Pt   -0.00000    0.01395    0.45067
  8 Pt    0.00000   -0.04021    0.75619
  9 O    -1.58119    0.00050    0.05130
 10 O     1.58119    0.00050    0.05130
 11 O     0.00000   -0.00899   -0.56515
 12 O    -0.00000    0.00616    0.13111
 13 Pt   -0.00000    0.24026   -0.03852
 14 Pt    0.00000   -0.01829    0.00655
 15 O    -0.00070    0.00956    0.00364
 16 O     0.00070    0.00956    0.00364
 17 O     0.00000   -0.03651   -0.88244
 18 O    -0.00000    0.00425    0.02531
 19 Pt    0.00000   -0.02546    0.10685
 20 Pt   -0.00000    0.08556    0.10835
 21 O    -0.19768    0.35109    0.22192
 22 O     0.19768    0.35109    0.22192
 23 O     0.00000   -0.01696   -0.07588
 24 O     0.00000   -0.00098    1.14979
 25 Pt   -0.00000    0.01561   -0.37837
 26 Pt    0.00000   -0.00025   -0.43508
 27 O    -1.69201    0.01347   -0.71811
 28 O     1.69201    0.01347   -0.71811
 29 O    -0.00000    0.04852   -1.38677
 30 O     0.00000   -0.00474    1.83184
 31 Pt   -0.00000    0.01887    0.50987
 32 Pt    0.00000   -0.14956    0.56994
 33 O    -1.61470   -0.01883    0.07050
 34 O     1.61470   -0.01883    0.07050
 35 O     0.00000   -0.03241   -0.52409
 36 O    -0.00000    0.19442   -0.10443
 37 Pt    0.00000   -0.25955   -0.03662
 38 Pt    0.00000   -0.00522   -0.00977
 39 O     0.00961    0.01167    0.01472
 40 O    -0.00961    0.01167    0.01472
 41 O     0.00000   -0.01143   -0.00792
 42 O    -0.00000    0.02776   -0.01544
 43 Pt    0.00000   -0.01299    0.01732
 44 Pt    0.00000   -0.03215   -0.03480
 45 O    -0.09267   -0.30664   -0.02237
 46 O     0.09267   -0.30664   -0.02237
 47 O     0.00000   -0.02210   -0.04452
 48 O    -0.00000    0.02218    1.17173
 49 Pt    0.00000   -0.02242   -0.37714
 50 Pt   -0.00000    0.02117   -0.43614
 51 O    -1.69112   -0.01397   -0.71854
 52 O     1.69112   -0.01397   -0.71854
 53 O     0.00000   -0.01325   -1.40405
 54 O     0.00000   -0.00194    1.77413
 55 Pt    0.00000   -0.01209    0.51580
 56 Pt   -0.00000    0.12951    0.64645
 57 O    -1.61376    0.01392    0.09255
 58 O     1.61376    0.01392    0.09255
 59 O     0.00000   -0.02108   -0.51562
 60 O     0.00000   -0.18423   -0.10480
 61 Pt   -0.00000    0.01170   -0.08134
 62 Pt   -0.00000    0.01682   -0.00764
 63 O    -0.01381   -0.00705    0.00251
 64 O     0.01381   -0.00705    0.00251
 65 O     0.00000   -0.00104    0.00093
 66 O     0.00000   -0.00959   -0.00115
 67 Pt   -0.00000    0.01042    0.02261
 68 Pt   -0.00000    0.14514    0.01485
 69 O    -0.00840    0.00211   -0.02819
 70 O     0.00840    0.00211   -0.02819
 71 O    -0.00000    0.00760   -0.04437
 72 N    -0.00000    0.10387    0.32734
 73 N     0.00000   -0.40413    0.44631

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    3.585439   24.065134    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.561549   23.650924    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:20:03  -2.98   +inf  -414.036458    2      1      
iter:   2  01:22:14  -3.69  -3.37  -414.099490    2      1      
iter:   3  01:24:25  -4.10  -2.68  -414.036202    2      1      
iter:   4  01:26:35  -4.53  -3.72  -414.034293    3      1      
iter:   5  01:28:44  -4.80  -3.87  -414.035918    3      1      
iter:   6  01:30:50  -4.85  -4.10  -414.034954    2      1      
iter:   7  01:32:55  -5.20  -4.00  -414.035089    2      1      
iter:   8  01:35:02  -5.59  -4.47  -414.035023    2      1      
iter:   9  01:37:07  -5.91  -4.02  -414.035073    2      1      
iter:  10  01:39:13  -6.38  -4.37  -414.035211    2      1      
iter:  11  01:41:20  -6.77  -4.63  -414.034911    2      1      
iter:  12  01:43:20  -7.16  -4.68  -414.035093    2      1      
iter:  13  01:45:17  -7.24  -4.97  -414.035064    2      1      
iter:  14  01:47:14  -7.10  -4.93  -414.035148    2      1      
iter:  15  01:49:11  -7.59  -4.90  -414.035104    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962242, -32.590765, 0.070162) |e|*Ang

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

Kinetic:        +19.846368
Potential:     -138.000065
External:        +0.000000
XC:            -305.605209
Entropy (-ST):   -1.563466
Local:          +10.505535
--------------------------
Free energy:   -414.816837
Extrapolated:  -414.035104

Fermi level: -6.47567

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54906    0.15014
  0   340     -6.53031    0.14073
  0   341     -6.52901    0.14006
  0   342     -6.49948    0.12427

  1   339     -6.45117    0.19513
  1   340     -6.40215    0.14402
  1   341     -6.36789    0.11285
  1   342     -6.35483    0.10221



Forces in eV/Ang:
  0 O     0.00000   -0.01736    1.17393
  1 Pt    0.00000   -0.00158   -0.37444
  2 Pt    0.00000   -0.01902   -0.43434
  3 O    -1.68358    0.00016   -0.71870
  4 O     1.68358    0.00016   -0.71870
  5 O     0.00000   -0.01178   -1.38735
  6 O     0.00000   -0.00261    1.76712
  7 Pt   -0.00000    0.01413    0.45083
  8 Pt    0.00000   -0.03998    0.75526
  9 O    -1.58123    0.00068    0.05112
 10 O     1.58123    0.00068    0.05112
 11 O     0.00000   -0.00897   -0.56491
 12 O    -0.00000    0.00679    0.13209
 13 Pt   -0.00000    0.24430   -0.03830
 14 Pt    0.00000   -0.01829    0.00660
 15 O    -0.00107    0.00962    0.00363
 16 O     0.00107    0.00962    0.00363
 17 O     0.00000   -0.03007   -0.89778
 18 O    -0.00000    0.00436    0.02475
 19 Pt    0.00000   -0.02555    0.10746
 20 Pt   -0.00000    0.07124    0.11189
 21 O    -0.20040    0.35574    0.21997
 22 O     0.20040    0.35574    0.21997
 23 O     0.00000   -0.01792   -0.07804
 24 O     0.00000   -0.00096    1.15005
 25 Pt   -0.00000    0.01572   -0.37797
 26 Pt    0.00000   -0.00018   -0.43449
 27 O    -1.69219    0.01348   -0.71793
 28 O     1.69219    0.01348   -0.71793
 29 O    -0.00000    0.04832   -1.38665
 30 O     0.00000   -0.00472    1.83165
 31 Pt   -0.00000    0.01879    0.51011
 32 Pt    0.00000   -0.14901    0.57045
 33 O    -1.61475   -0.01898    0.07029
 34 O     1.61475   -0.01898    0.07029
 35 O     0.00000   -0.03241   -0.52379
 36 O    -0.00000    0.19687   -0.10519
 37 Pt    0.00000   -0.26575   -0.03681
 38 Pt    0.00000   -0.00506   -0.00979
 39 O     0.00902    0.01163    0.01491
 40 O    -0.00902    0.01163    0.01491
 41 O     0.00000   -0.01105   -0.00597
 42 O    -0.00000    0.02815   -0.01609
 43 Pt    0.00000   -0.01280    0.01796
 44 Pt    0.00000   -0.03632   -0.03703
 45 O    -0.10028   -0.31622   -0.01432
 46 O     0.10028   -0.31622   -0.01432
 47 O     0.00000   -0.02072   -0.04692
 48 O    -0.00000    0.02215    1.17200
 49 Pt    0.00000   -0.02239   -0.37683
 50 Pt   -0.00000    0.02113   -0.43554
 51 O    -1.69136   -0.01395   -0.71836
 52 O     1.69136   -0.01395   -0.71836
 53 O     0.00000   -0.01306   -1.40406
 54 O     0.00000   -0.00194    1.77373
 55 Pt    0.00000   -0.01217    0.51601
 56 Pt   -0.00000    0.12889    0.64701
 57 O    -1.61375    0.01385    0.09227
 58 O     1.61375    0.01385    0.09227
 59 O     0.00000   -0.02111   -0.51544
 60 O     0.00000   -0.18715   -0.10554
 61 Pt   -0.00000    0.01236   -0.08255
 62 Pt   -0.00000    0.01666   -0.00738
 63 O    -0.01433   -0.00707    0.00258
 64 O     0.01433   -0.00707    0.00258
 65 O     0.00000   -0.00098   -0.00003
 66 O     0.00000   -0.01021   -0.00183
 67 Pt   -0.00000    0.01057    0.02114
 68 Pt   -0.00000    0.14502    0.01165
 69 O    -0.00902    0.00256   -0.03171
 70 O     0.00902    0.00256   -0.03171
 71 O    -0.00000    0.00720   -0.04605
 72 N    -0.00000    0.09537    0.33693
 73 N     0.00000   -0.37425    0.37251

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    3.591447   24.065172    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.559871   23.671114    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:04:39  -3.00   +inf  -414.044957    2      1      
iter:   2  02:06:46  -3.69  -3.31  -414.133414    3      1      
iter:   3  02:08:52  -4.09  -2.62  -414.045140    2      1      
iter:   4  02:10:57  -4.55  -3.72  -414.042695    3      1      
iter:   5  02:13:04  -4.79  -3.86  -414.043470    3      1      
iter:   6  02:15:10  -4.89  -4.24  -414.043298    2      1      
iter:   7  02:17:18  -5.22  -4.01  -414.043420    2      1      
iter:   8  02:19:24  -5.59  -4.47  -414.043378    2      1      
iter:   9  02:21:31  -5.93  -3.94  -414.043246    2      1      
iter:  10  02:23:36  -6.30  -4.29  -414.043646    2      1      
iter:  11  02:25:42  -6.65  -4.48  -414.043184    2      1      
iter:  12  02:27:50  -7.10  -4.74  -414.043293    2      1      
iter:  13  02:29:57  -7.23  -4.97  -414.043302    2      1      
iter:  14  02:32:04  -7.17  -4.99  -414.043384    2      1      
iter:  15  02:34:13  -7.65  -4.74  -414.043338    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962288, -32.585156, 0.066278) |e|*Ang

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

Kinetic:        +19.766603
Potential:     -137.953089
External:        +0.000000
XC:            -305.580359
Entropy (-ST):   -1.563709
Local:          +10.505362
--------------------------
Free energy:   -414.825192
Extrapolated:  -414.043338

Fermi level: -6.47905

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55220    0.15003
  0   340     -6.53361    0.14070
  0   341     -6.53233    0.14003
  0   342     -6.50278    0.12423

  1   339     -6.45444    0.19502
  1   340     -6.40548    0.14398
  1   341     -6.37136    0.11294
  1   342     -6.35808    0.10211



Forces in eV/Ang:
  0 O     0.00000   -0.01734    1.17388
  1 Pt    0.00000   -0.00166   -0.37453
  2 Pt    0.00000   -0.01902   -0.43467
  3 O    -1.68385    0.00018   -0.71874
  4 O     1.68385    0.00018   -0.71874
  5 O     0.00000   -0.01185   -1.38688
  6 O     0.00000   -0.00265    1.76610
  7 Pt   -0.00000    0.01424    0.45071
  8 Pt    0.00000   -0.03982    0.75425
  9 O    -1.58134    0.00076    0.05114
 10 O     1.58134    0.00076    0.05114
 11 O     0.00000   -0.00898   -0.56481
 12 O    -0.00000    0.00717    0.13316
 13 Pt   -0.00000    0.24860   -0.03877
 14 Pt    0.00000   -0.01842    0.00618
 15 O    -0.00126    0.00981    0.00349
 16 O     0.00126    0.00981    0.00349
 17 O     0.00000   -0.02453   -0.91522
 18 O    -0.00000    0.00423    0.02478
 19 Pt    0.00000   -0.02499    0.11072
 20 Pt   -0.00000    0.06017    0.12435
 21 O    -0.20168    0.35897    0.22081
 22 O     0.20168    0.35897    0.22081
 23 O     0.00000   -0.01770   -0.07888
 24 O     0.00000   -0.00096    1.14996
 25 Pt   -0.00000    0.01581   -0.37807
 26 Pt    0.00000   -0.00015   -0.43492
 27 O    -1.69247    0.01348   -0.71797
 28 O     1.69247    0.01348   -0.71797
 29 O    -0.00000    0.04815   -1.38648
 30 O     0.00000   -0.00458    1.83056
 31 Pt   -0.00000    0.01874    0.51004
 32 Pt    0.00000   -0.14832    0.57062
 33 O    -1.61488   -0.01904    0.07029
 34 O     1.61488   -0.01904    0.07029
 35 O     0.00000   -0.03235   -0.52372
 36 O    -0.00000    0.19933   -0.10607
 37 Pt    0.00000   -0.27195   -0.03773
 38 Pt    0.00000   -0.00491   -0.01035
 39 O     0.00882    0.01148    0.01481
 40 O    -0.00882    0.01148    0.01481
 41 O     0.00000   -0.01045   -0.00418
 42 O    -0.00000    0.02890   -0.01635
 43 Pt    0.00000   -0.01296    0.02341
 44 Pt    0.00000   -0.04160   -0.03128
 45 O    -0.10755   -0.32408   -0.00158
 46 O     0.10755   -0.32408   -0.00158
 47 O     0.00000   -0.02072   -0.04768
 48 O    -0.00000    0.02214    1.17194
 49 Pt    0.00000   -0.02238   -0.37692
 50 Pt   -0.00000    0.02110   -0.43594
 51 O    -1.69167   -0.01396   -0.71838
 52 O     1.69167   -0.01396   -0.71838
 53 O     0.00000   -0.01289   -1.40400
 54 O     0.00000   -0.00203    1.77258
 55 Pt    0.00000   -0.01221    0.51588
 56 Pt   -0.00000    0.12819    0.64728
 57 O    -1.61389    0.01381    0.09219
 58 O     1.61389    0.01381    0.09219
 59 O     0.00000   -0.02116   -0.51540
 60 O     0.00000   -0.18982   -0.10647
 61 Pt   -0.00000    0.01283   -0.08420
 62 Pt   -0.00000    0.01664   -0.00768
 63 O    -0.01446   -0.00709    0.00251
 64 O     0.01446   -0.00709    0.00251
 65 O     0.00000   -0.00102   -0.00057
 66 O     0.00000   -0.01092   -0.00215
 67 Pt   -0.00000    0.01038    0.02218
 68 Pt   -0.00000    0.14534    0.01385
 69 O    -0.00883    0.00271   -0.03176
 70 O     0.00883    0.00271   -0.03176
 71 O    -0.00000    0.00706   -0.04644
 72 N    -0.00000    0.13955    0.32812
 73 N     0.00000   -0.35550    0.36428

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    3.597968   24.065651    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.557979   23.691666    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:46:47  -2.98   +inf  -414.051748    3      1      
iter:   2  02:48:57  -3.66  -3.27  -414.140667    3      1      
iter:   3  02:51:06  -4.05  -2.63  -414.058084    3      1      
iter:   4  02:53:12  -4.50  -3.41  -414.052043    3      1      
iter:   5  02:55:19  -4.78  -3.89  -414.052076    3      1      
iter:   6  02:57:24  -4.79  -3.92  -414.051715    3      1      
iter:   7  02:59:30  -5.07  -4.10  -414.051615    2      1      
iter:   8  03:01:35  -5.46  -4.25  -414.051642    2      1      
iter:   9  03:03:42  -5.89  -4.42  -414.051091    2      1      
iter:  10  03:05:47  -6.43  -4.34  -414.051834    2      1      
iter:  11  03:07:55  -6.58  -4.44  -414.051396    2      1      
iter:  12  03:10:01  -6.89  -4.46  -414.051454    2      1      
iter:  13  03:12:08  -7.05  -4.75  -414.051506    2      1      
iter:  14  03:14:14  -7.10  -4.73  -414.051559    2      1      
iter:  15  03:16:20  -7.25  -4.78  -414.051654    2      1      
iter:  16  03:18:27  -7.39  -4.88  -414.051311    2      1      
iter:  17  03:20:29  -7.63  -4.78  -414.051557    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962319, -32.579830, 0.061974) |e|*Ang

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

Kinetic:        +19.568243
Potential:     -137.820641
External:        +0.000000
XC:            -305.521790
Entropy (-ST):   -1.563912
Local:          +10.504587
--------------------------
Free energy:   -414.833512
Extrapolated:  -414.051557

Fermi level: -6.48214

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55466    0.14972
  0   340     -6.53693    0.14081
  0   341     -6.53569    0.14017
  0   342     -6.50562    0.12409

  1   339     -6.45760    0.19509
  1   340     -6.40873    0.14413
  1   341     -6.37459    0.11304
  1   342     -6.36095    0.10194



Forces in eV/Ang:
  0 O     0.00000   -0.01728    1.17375
  1 Pt    0.00000   -0.00186   -0.37422
  2 Pt    0.00000   -0.01899   -0.43442
  3 O    -1.68261    0.00026   -0.71896
  4 O     1.68261    0.00026   -0.71896
  5 O     0.00000   -0.01187   -1.38754
  6 O     0.00000   -0.00263    1.76995
  7 Pt   -0.00000    0.01400    0.45185
  8 Pt    0.00000   -0.03970    0.75496
  9 O    -1.58104    0.00055    0.05134
 10 O     1.58104    0.00055    0.05134
 11 O     0.00000   -0.00898   -0.56506
 12 O    -0.00000    0.00762    0.13483
 13 Pt   -0.00000    0.25269   -0.03780
 14 Pt    0.00000   -0.01850    0.00827
 15 O    -0.00110    0.00978    0.00398
 16 O     0.00110    0.00978    0.00398
 17 O     0.00000   -0.01905   -0.93413
 18 O    -0.00000    0.00410    0.02513
 19 Pt    0.00000   -0.02426    0.11218
 20 Pt   -0.00000    0.04823    0.12795
 21 O    -0.20329    0.36175    0.22086
 22 O     0.20329    0.36175    0.22086
 23 O     0.00000   -0.01806   -0.08189
 24 O     0.00000   -0.00106    1.14984
 25 Pt   -0.00000    0.01599   -0.37778
 26 Pt    0.00000   -0.00026   -0.43450
 27 O    -1.69127    0.01340   -0.71819
 28 O     1.69127    0.01340   -0.71819
 29 O    -0.00000    0.04790   -1.38718
 30 O     0.00000   -0.00450    1.83521
 31 Pt   -0.00000    0.01894    0.51117
 32 Pt    0.00000   -0.14750    0.57188
 33 O    -1.61453   -0.01893    0.07048
 34 O     1.61453   -0.01893    0.07048
 35 O     0.00000   -0.03234   -0.52409
 36 O    -0.00000    0.20136   -0.10654
 37 Pt    0.00000   -0.27777   -0.03713
 38 Pt    0.00000   -0.00529   -0.00902
 39 O     0.00906    0.01155    0.01543
 40 O    -0.00906    0.01155    0.01543
 41 O     0.00000   -0.01056    0.00296
 42 O    -0.00000    0.02883   -0.01642
 43 Pt    0.00000   -0.01311    0.02570
 44 Pt    0.00000   -0.04631   -0.03002
 45 O    -0.11384   -0.33104    0.00830
 46 O     0.11384   -0.33104    0.00830
 47 O     0.00000   -0.02089   -0.05008
 48 O    -0.00000    0.02219    1.17180
 49 Pt    0.00000   -0.02234   -0.37643
 50 Pt   -0.00000    0.02116   -0.43543
 51 O    -1.69035   -0.01397   -0.71858
 52 O     1.69035   -0.01397   -0.71858
 53 O     0.00000   -0.01269   -1.40479
 54 O     0.00000   -0.00213    1.77744
 55 Pt    0.00000   -0.01216    0.51697
 56 Pt   -0.00000    0.12739    0.64854
 57 O    -1.61370    0.01388    0.09211
 58 O     1.61370    0.01388    0.09211
 59 O     0.00000   -0.02118   -0.51577
 60 O     0.00000   -0.19221   -0.10728
 61 Pt   -0.00000    0.01329   -0.08384
 62 Pt   -0.00000    0.01710   -0.00639
 63 O    -0.01446   -0.00713    0.00288
 64 O     0.01446   -0.00713    0.00288
 65 O     0.00000   -0.00061    0.00508
 66 O     0.00000   -0.01077   -0.00230
 67 Pt   -0.00000    0.01002    0.02225
 68 Pt   -0.00000    0.14640    0.01432
 69 O    -0.00967    0.00300   -0.03231
 70 O     0.00967    0.00300   -0.03231
 71 O    -0.00000    0.00764   -0.04789
 72 N    -0.00000    0.06202    0.29300
 73 N     0.00000   -0.21561    0.34790

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    3.603988   24.066423    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.556887   23.712909    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:28:56  -2.98   +inf  -414.086366    2      1      
iter:   2  03:31:06  -3.25  -2.84  -415.031315    2      1      
iter:   3  03:33:16  -3.60  -2.12  -414.065746    3      1      
iter:   4  03:35:25  -4.18  -3.30  -414.061077    2      1      
iter:   5  03:37:34  -4.47  -3.94  -414.058248    3      1      
iter:   6  03:39:43  -4.73  -3.85  -414.059749    3      1      
iter:   7  03:41:51  -5.13  -3.89  -414.059688    2      1      
iter:   8  03:43:58  -5.54  -4.11  -414.059930    2      1      
iter:   9  03:46:05  -5.83  -4.38  -414.059867    2      1      
iter:  10  03:48:13  -6.19  -3.85  -414.059619    2      1      
iter:  11  03:50:20  -6.37  -4.49  -414.060301    2      1      
iter:  12  03:52:27  -6.72  -4.41  -414.059777    2      1      
iter:  13  03:54:34  -7.02  -4.74  -414.059960    2      1      
iter:  14  03:56:41  -7.35  -4.73  -414.059936    2      1      
iter:  15  03:58:49  -7.57  -4.93  -414.059909    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962395, -32.574305, 0.057864) |e|*Ang

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

Kinetic:        +19.450750
Potential:     -137.741387
External:        +0.000000
XC:            -305.491349
Entropy (-ST):   -1.564171
Local:          +10.504162
--------------------------
Free energy:   -414.841994
Extrapolated:  -414.059909

Fermi level: -6.48542

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55750    0.14951
  0   340     -6.54026    0.14084
  0   341     -6.53905    0.14022
  0   342     -6.50879    0.12404

  1   339     -6.46087    0.19508
  1   340     -6.41205    0.14417
  1   341     -6.37797    0.11314
  1   342     -6.36408    0.10183



Forces in eV/Ang:
  0 O     0.00000   -0.01730    1.17350
  1 Pt    0.00000   -0.00197   -0.37402
  2 Pt    0.00000   -0.01900   -0.43418
  3 O    -1.68210    0.00023   -0.71881
  4 O     1.68210    0.00023   -0.71881
  5 O     0.00000   -0.01191   -1.38734
  6 O     0.00000   -0.00262    1.77272
  7 Pt   -0.00000    0.01409    0.45284
  8 Pt    0.00000   -0.03952    0.75464
  9 O    -1.58078    0.00068    0.05216
 10 O     1.58078    0.00068    0.05216
 11 O     0.00000   -0.00897   -0.56516
 12 O    -0.00000    0.00787    0.13505
 13 Pt   -0.00000    0.25683   -0.03757
 14 Pt    0.00000   -0.01863    0.00795
 15 O    -0.00141    0.00979    0.00411
 16 O     0.00141    0.00979    0.00411
 17 O     0.00000   -0.01462   -0.94597
 18 O    -0.00000    0.00411    0.02397
 19 Pt    0.00000   -0.02412    0.11536
 20 Pt   -0.00000    0.04030    0.14682
 21 O    -0.20481    0.36470    0.22116
 22 O     0.20481    0.36470    0.22116
 23 O     0.00000   -0.01780   -0.08270
 24 O     0.00000   -0.00103    1.14954
 25 Pt   -0.00000    0.01610   -0.37754
 26 Pt    0.00000   -0.00021   -0.43441
 27 O    -1.69073    0.01342   -0.71803
 28 O     1.69073    0.01342   -0.71803
 29 O    -0.00000    0.04770   -1.38719
 30 O     0.00000   -0.00456    1.83784
 31 Pt   -0.00000    0.01892    0.51215
 32 Pt    0.00000   -0.14699    0.57286
 33 O    -1.61431   -0.01903    0.07125
 34 O     1.61431   -0.01903    0.07125
 35 O     0.00000   -0.03236   -0.52406
 36 O    -0.00000    0.20319   -0.10746
 37 Pt    0.00000   -0.28387   -0.03727
 38 Pt    0.00000   -0.00502   -0.00952
 39 O     0.00875    0.01153    0.01565
 40 O    -0.00875    0.01153    0.01565
 41 O     0.00000   -0.00960    0.00581
 42 O    -0.00000    0.02899   -0.01769
 43 Pt    0.00000   -0.01303    0.03164
 44 Pt    0.00000   -0.05227   -0.02442
 45 O    -0.12099   -0.33858    0.01939
 46 O     0.12099   -0.33858    0.01939
 47 O     0.00000   -0.02113   -0.05084
 48 O    -0.00000    0.02219    1.17151
 49 Pt    0.00000   -0.02233   -0.37630
 50 Pt   -0.00000    0.02113   -0.43537
 51 O    -1.68987   -0.01396   -0.71842
 52 O     1.68987   -0.01396   -0.71842
 53 O     0.00000   -0.01251   -1.40489
 54 O     0.00000   -0.00207    1.77988
 55 Pt    0.00000   -0.01220    0.51811
 56 Pt   -0.00000    0.12681    0.64960
 57 O    -1.61344    0.01382    0.09287
 58 O     1.61344    0.01382    0.09287
 59 O     0.00000   -0.02118   -0.51574
 60 O     0.00000   -0.19415   -0.10806
 61 Pt   -0.00000    0.01391   -0.08501
 62 Pt   -0.00000    0.01695   -0.00666
 63 O    -0.01479   -0.00713    0.00319
 64 O     0.01479   -0.00713    0.00319
 65 O     0.00000   -0.00080    0.00571
 66 O     0.00000   -0.01102   -0.00341
 67 Pt   -0.00000    0.00999    0.02304
 68 Pt   -0.00000    0.14688    0.01532
 69 O    -0.00977    0.00323   -0.03234
 70 O     0.00977    0.00323   -0.03234
 71 O    -0.00000    0.00768   -0.04855
 72 N    -0.00000    0.07551    0.27132
 73 N     0.00000   -0.19259    0.27581

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    3.609668   24.067406    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.556198   23.734000    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:08:34  -2.98   +inf  -414.135205    2      1      
iter:   2  04:10:44  -2.97  -2.66  -416.234897    3      1      
iter:   3  04:12:54  -3.36  -1.95  -414.085911    3      1      
iter:   4  04:15:04  -3.88  -2.99  -414.070107    3      1      
iter:   5  04:17:13  -4.38  -3.68  -414.066920    3      1      
iter:   6  04:19:22  -4.58  -3.79  -414.066103    3      1      
iter:   7  04:21:28  -4.96  -3.96  -414.066359    2      1      
iter:   8  04:23:33  -5.32  -3.93  -414.066780    2      1      
iter:   9  04:25:40  -5.78  -4.15  -414.066585    2      1      
iter:  10  04:27:46  -6.10  -4.41  -414.066584    2      1      
iter:  11  04:29:54  -6.17  -4.40  -414.066258    2      1      
iter:  12  04:32:01  -6.79  -4.47  -414.066688    2      1      
iter:  13  04:33:58  -6.83  -4.53  -414.066544    2      1      
iter:  14  04:35:54  -7.39  -4.78  -414.066479    2      1      
iter:  15  04:37:50  -7.27  -4.42  -414.066610    2      1      
iter:  16  04:39:47  -7.16  -4.65  -414.066560    2      1      
iter:  17  04:41:43  -7.64  -4.96  -414.066559    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962412, -32.569188, 0.054625) |e|*Ang

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

Kinetic:        +19.428526
Potential:     -137.747019
External:        +0.000000
XC:            -305.471022
Entropy (-ST):   -1.564342
Local:          +10.505127
--------------------------
Free energy:   -414.848730
Extrapolated:  -414.066559

Fermi level: -6.48853

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56054    0.14948
  0   340     -6.54319    0.14074
  0   341     -6.54196    0.14011
  0   342     -6.51190    0.12404

  1   339     -6.46377    0.19486
  1   340     -6.41501    0.14403
  1   341     -6.38114    0.11319
  1   342     -6.36709    0.10175



Forces in eV/Ang:
  0 O     0.00000   -0.01728    1.17374
  1 Pt    0.00000   -0.00210   -0.37416
  2 Pt    0.00000   -0.01900   -0.43462
  3 O    -1.68304    0.00024   -0.71870
  4 O     1.68304    0.00024   -0.71870
  5 O     0.00000   -0.01194   -1.38660
  6 O     0.00000   -0.00263    1.76899
  7 Pt   -0.00000    0.01398    0.45170
  8 Pt    0.00000   -0.03942    0.75329
  9 O    -1.58074    0.00057    0.05204
 10 O     1.58074    0.00057    0.05204
 11 O     0.00000   -0.00897   -0.56516
 12 O    -0.00000    0.00836    0.13693
 13 Pt   -0.00000    0.26069   -0.03782
 14 Pt    0.00000   -0.01876    0.00827
 15 O    -0.00109    0.00973    0.00419
 16 O     0.00109    0.00973    0.00419
 17 O     0.00000   -0.00991   -0.96666
 18 O    -0.00000    0.00391    0.02485
 19 Pt    0.00000   -0.02379    0.11756
 20 Pt   -0.00000    0.02810    0.14486
 21 O    -0.20587    0.36743    0.22178
 22 O     0.20587    0.36743    0.22178
 23 O     0.00000   -0.01785   -0.08349
 24 O     0.00000   -0.00108    1.14979
 25 Pt   -0.00000    0.01623   -0.37768
 26 Pt    0.00000   -0.00022   -0.43488
 27 O    -1.69168    0.01341   -0.71793
 28 O     1.69168    0.01341   -0.71793
 29 O    -0.00000    0.04750   -1.38670
 30 O     0.00000   -0.00459    1.83426
 31 Pt   -0.00000    0.01900    0.51103
 32 Pt    0.00000   -0.14635    0.57221
 33 O    -1.61425   -0.01898    0.07113
 34 O     1.61425   -0.01898    0.07113
 35 O     0.00000   -0.03236   -0.52411
 36 O    -0.00000    0.20557   -0.10785
 37 Pt    0.00000   -0.28923   -0.03792
 38 Pt    0.00000   -0.00501   -0.00951
 39 O     0.00916    0.01161    0.01577
 40 O    -0.00916    0.01161    0.01577
 41 O     0.00000   -0.00968    0.00585
 42 O    -0.00000    0.02944   -0.01706
 43 Pt    0.00000   -0.01274    0.03485
 44 Pt    0.00000   -0.05537   -0.02404
 45 O    -0.12639   -0.34482    0.02964
 46 O     0.12639   -0.34482    0.02964
 47 O     0.00000   -0.02123   -0.05168
 48 O    -0.00000    0.02221    1.17176
 49 Pt    0.00000   -0.02233   -0.37638
 50 Pt   -0.00000    0.02114   -0.43581
 51 O    -1.69082   -0.01397   -0.71829
 52 O     1.69082   -0.01397   -0.71829
 53 O     0.00000   -0.01234   -1.40443
 54 O     0.00000   -0.00203    1.77638
 55 Pt    0.00000   -0.01218    0.51696
 56 Pt   -0.00000    0.12620    0.64895
 57 O    -1.61348    0.01386    0.09260
 58 O     1.61348    0.01386    0.09260
 59 O     0.00000   -0.02118   -0.51574
 60 O     0.00000   -0.19686   -0.10862
 61 Pt   -0.00000    0.01435   -0.08631
 62 Pt   -0.00000    0.01708   -0.00658
 63 O    -0.01472   -0.00713    0.00323
 64 O     0.01472   -0.00713    0.00323
 65 O     0.00000   -0.00040    0.00350
 66 O     0.00000   -0.01129   -0.00294
 67 Pt   -0.00000    0.00970    0.02361
 68 Pt   -0.00000    0.14779    0.01684
 69 O    -0.00924    0.00328   -0.03255
 70 O     0.00924    0.00328   -0.03255
 71 O    -0.00000    0.00785   -0.04866
 72 N    -0.00000    0.06601    0.30120
 73 N     0.00000   -0.22806    0.25749

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    3.613998   24.067707    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.556980   23.755887    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:53:02  -2.96   +inf  -414.076770    3      1      
iter:   2  04:55:11  -3.70  -3.42  -414.102181    3      1      
iter:   3  04:57:16  -4.12  -2.81  -414.073077    3      1      
iter:   4  04:59:24  -4.55  -3.35  -414.072810    3      1      
iter:   5  05:01:31  -4.81  -4.01  -414.071351    3      1      
iter:   6  05:03:37  -4.78  -3.76  -414.071229    3      1      
iter:   7  05:05:43  -5.19  -3.96  -414.071567    2      1      
iter:   8  05:07:50  -5.38  -4.24  -414.071632    3      1      
iter:   9  05:09:58  -5.83  -4.45  -414.072022    2      1      
iter:  10  05:12:04  -6.23  -4.27  -414.071773    2      1      
iter:  11  05:14:11  -6.67  -4.14  -414.071510    2      1      
iter:  12  05:16:17  -7.04  -4.78  -414.071653    2      1      
iter:  13  05:18:36  -6.95  -4.80  -414.071444    2      1      
iter:  14  05:20:45  -7.14  -4.80  -414.071533    2      1      
iter:  15  05:22:52  -7.39  -5.11  -414.071531    2      1      
iter:  16  05:24:59  -7.86  -5.17  -414.071594    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962488, -32.564353, 0.052107) |e|*Ang

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

Kinetic:        +19.779408
Potential:     -138.036022
External:        +0.000000
XC:            -305.538072
Entropy (-ST):   -1.564574
Local:          +10.505379
--------------------------
Free energy:   -414.853881
Extrapolated:  -414.071594

Fermi level: -6.49124

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56323    0.14947
  0   340     -6.54559    0.14058
  0   341     -6.54434    0.13994
  0   342     -6.51466    0.12406

  1   339     -6.46624    0.19459
  1   340     -6.41751    0.14383
  1   341     -6.38383    0.11316
  1   342     -6.37005    0.10194



Forces in eV/Ang:
  0 O     0.00000   -0.01727    1.17356
  1 Pt    0.00000   -0.00221   -0.37520
  2 Pt    0.00000   -0.01901   -0.43525
  3 O    -1.68452    0.00023   -0.71874
  4 O     1.68452    0.00023   -0.71874
  5 O     0.00000   -0.01194   -1.38602
  6 O     0.00000   -0.00257    1.76279
  7 Pt   -0.00000    0.01393    0.44940
  8 Pt    0.00000   -0.03929    0.75165
  9 O    -1.58106    0.00052    0.05124
 10 O     1.58106    0.00052    0.05124
 11 O     0.00000   -0.00896   -0.56576
 12 O    -0.00000    0.00862    0.13749
 13 Pt   -0.00000    0.26461   -0.03997
 14 Pt    0.00000   -0.01904    0.00718
 15 O    -0.00063    0.00970    0.00339
 16 O     0.00063    0.00970    0.00339
 17 O     0.00000   -0.00596   -0.98590
 18 O    -0.00000    0.00361    0.02561
 19 Pt    0.00000   -0.02334    0.12147
 20 Pt   -0.00000    0.01751    0.15304
 21 O    -0.20579    0.36994    0.22413
 22 O     0.20579    0.36994    0.22413
 23 O     0.00000   -0.01673   -0.08180
 24 O     0.00000   -0.00110    1.14960
 25 Pt   -0.00000    0.01637   -0.37865
 26 Pt    0.00000   -0.00023   -0.43553
 27 O    -1.69314    0.01341   -0.71796
 28 O     1.69314    0.01341   -0.71796
 29 O    -0.00000    0.04728   -1.38629
 30 O     0.00000   -0.00467    1.82816
 31 Pt   -0.00000    0.01904    0.50866
 32 Pt    0.00000   -0.14574    0.57137
 33 O    -1.61459   -0.01894    0.07029
 34 O     1.61459   -0.01894    0.07029
 35 O     0.00000   -0.03238   -0.52475
 36 O    -0.00000    0.20756   -0.10905
 37 Pt    0.00000   -0.29464   -0.04036
 38 Pt    0.00000   -0.00478   -0.01071
 39 O     0.00982    0.01164    0.01485
 40 O    -0.00982    0.01164    0.01485
 41 O     0.00000   -0.00930    0.00367
 42 O    -0.00000    0.03015   -0.01660
 43 Pt    0.00000   -0.01248    0.04208
 44 Pt    0.00000   -0.05844   -0.01771
 45 O    -0.13175   -0.35090    0.04390
 46 O     0.13175   -0.35090    0.04390
 47 O     0.00000   -0.02246   -0.05014
 48 O    -0.00000    0.02222    1.17156
 49 Pt    0.00000   -0.02233   -0.37737
 50 Pt   -0.00000    0.02115   -0.43651
 51 O    -1.69231   -0.01396   -0.71831
 52 O     1.69231   -0.01396   -0.71831
 53 O     0.00000   -0.01217   -1.40407
 54 O     0.00000   -0.00203    1.77021
 55 Pt    0.00000   -0.01215    0.51466
 56 Pt   -0.00000    0.12558    0.64817
 57 O    -1.61390    0.01385    0.09169
 58 O     1.61390    0.01385    0.09169
 59 O     0.00000   -0.02117   -0.51621
 60 O     0.00000   -0.19889   -0.10972
 61 Pt   -0.00000    0.01470   -0.08946
 62 Pt   -0.00000    0.01715   -0.00779
 63 O    -0.01443   -0.00711    0.00252
 64 O     0.01443   -0.00711    0.00252
 65 O     0.00000   -0.00008   -0.00136
 66 O     0.00000   -0.01170   -0.00254
 67 Pt   -0.00000    0.00933    0.02554
 68 Pt   -0.00000    0.14815    0.02128
 69 O    -0.00794    0.00304   -0.03097
 70 O     0.00794    0.00304   -0.03097
 71 O    -0.00000    0.00800   -0.04719
 72 N    -0.00000    0.44574    0.40063
 73 N     0.00000   -0.61340    0.20045

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    3.620438   24.071410    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.554170   23.770832    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:39:57  -3.14   +inf  -414.085261    3      1      
iter:   2  05:42:08  -3.69  -2.96  -414.137912    4      1      
iter:   3  05:44:15  -4.20  -2.82  -414.090344    3      1      
iter:   4  05:46:23  -4.56  -3.11  -414.084038    2      1      
iter:   5  05:48:29  -4.93  -3.39  -414.081422    3      1      
iter:   6  05:50:34  -4.69  -3.65  -414.079921    3      1      
iter:   7  05:52:40  -4.67  -3.72  -414.078369    3      1      
iter:   8  05:54:47  -5.16  -4.05  -414.078173    3      1      
iter:   9  05:56:56  -5.81  -4.18  -414.077723    2      1      
iter:  10  05:59:03  -6.14  -4.30  -414.078209    3      1      
iter:  11  06:01:11  -6.30  -4.35  -414.078053    2      1      
iter:  12  06:03:17  -6.44  -3.96  -414.077840    2      1      
iter:  13  06:05:24  -6.79  -4.35  -414.078010    2      1      
iter:  14  06:07:30  -6.69  -4.65  -414.077925    2      1      
iter:  15  06:09:36  -7.07  -4.81  -414.077958    2      1      
iter:  16  06:11:41  -7.57  -4.97  -414.077903    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962446, -32.560579, 0.048772) |e|*Ang

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

Kinetic:        +18.903883
Potential:     -137.369351
External:        +0.000000
XC:            -305.333054
Entropy (-ST):   -1.564784
Local:          +10.503011
--------------------------
Free energy:   -414.860295
Extrapolated:  -414.077903

Fermi level: -6.49331

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56496    0.14930
  0   340     -6.54787    0.14069
  0   341     -6.54666    0.14007
  0   342     -6.51662    0.12400

  1   339     -6.46847    0.19476
  1   340     -6.41971    0.14395
  1   341     -6.38610    0.11334
  1   342     -6.37231    0.10209



Forces in eV/Ang:
  0 O     0.00000   -0.01723    1.17432
  1 Pt    0.00000   -0.00227   -0.37356
  2 Pt    0.00000   -0.01895   -0.43337
  3 O    -1.68314    0.00028   -0.71846
  4 O     1.68314    0.00028   -0.71846
  5 O     0.00000   -0.01197   -1.38657
  6 O     0.00000   -0.00262    1.76802
  7 Pt   -0.00000    0.01388    0.45112
  8 Pt    0.00000   -0.03925    0.75247
  9 O    -1.58109    0.00047    0.05138
 10 O     1.58109    0.00047    0.05138
 11 O     0.00000   -0.00897   -0.56578
 12 O    -0.00000    0.00888    0.13820
 13 Pt   -0.00000    0.26714   -0.03910
 14 Pt    0.00000   -0.01895    0.00831
 15 O    -0.00109    0.00977    0.00368
 16 O     0.00109    0.00977    0.00368
 17 O     0.00000   -0.00347   -0.99470
 18 O    -0.00000    0.00393    0.02517
 19 Pt    0.00000   -0.02350    0.11707
 20 Pt   -0.00000    0.01643    0.15863
 21 O    -0.20759    0.37191    0.21999
 22 O     0.20759    0.37191    0.21999
 23 O     0.00000   -0.01859   -0.08668
 24 O     0.00000   -0.00114    1.15035
 25 Pt   -0.00000    0.01642   -0.37706
 26 Pt    0.00000   -0.00028   -0.43371
 27 O    -1.69182    0.01340   -0.71768
 28 O     1.69182    0.01340   -0.71768
 29 O    -0.00000    0.04716   -1.38700
 30 O     0.00000   -0.00460    1.83347
 31 Pt   -0.00000    0.01908    0.51040
 32 Pt    0.00000   -0.14537    0.57281
 33 O    -1.61455   -0.01895    0.07042
 34 O     1.61455   -0.01895    0.07042
 35 O     0.00000   -0.03237   -0.52474
 36 O    -0.00000    0.20877   -0.10926
 37 Pt    0.00000   -0.29815   -0.03950
 38 Pt    0.00000   -0.00485   -0.00973
 39 O     0.00919    0.01164    0.01554
 40 O    -0.00919    0.01164    0.01554
 41 O     0.00000   -0.00902    0.00736
 42 O    -0.00000    0.02992   -0.01709
 43 Pt    0.00000   -0.01256    0.03759
 44 Pt    0.00000   -0.06447   -0.01932
 45 O    -0.13650   -0.35601    0.04530
 46 O     0.13650   -0.35601    0.04530
 47 O     0.00000   -0.02048   -0.05512
 48 O    -0.00000    0.02224    1.17229
 49 Pt    0.00000   -0.02232   -0.37573
 50 Pt   -0.00000    0.02115   -0.43457
 51 O    -1.69094   -0.01400   -0.71804
 52 O     1.69094   -0.01400   -0.71804
 53 O     0.00000   -0.01205   -1.40478
 54 O     0.00000   -0.00203    1.77587
 55 Pt    0.00000   -0.01213    0.51643
 56 Pt   -0.00000    0.12521    0.64961
 57 O    -1.61394    0.01390    0.09174
 58 O     1.61394    0.01390    0.09174
 59 O     0.00000   -0.02118   -0.51645
 60 O     0.00000   -0.20040   -0.11006
 61 Pt   -0.00000    0.01515   -0.08925
 62 Pt   -0.00000    0.01711   -0.00691
 63 O    -0.01503   -0.00719    0.00285
 64 O     0.01503   -0.00719    0.00285
 65 O     0.00000   -0.00011    0.00119
 66 O     0.00000   -0.01184   -0.00298
 67 Pt   -0.00000    0.00956    0.01980
 68 Pt   -0.00000    0.14831    0.01304
 69 O    -0.00883    0.00389   -0.03611
 70 O     0.00883    0.00389   -0.03611
 71 O    -0.00000    0.00790   -0.05176
 72 N     0.00000   -0.33831    0.13554
 73 N    -0.00000    0.18673    0.37581

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    3.626496   24.073748    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.553467   23.794243    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:34:16  -2.90   +inf  -414.088153    3      1      
iter:   2  06:36:24  -3.52  -3.15  -414.313398    3      1      
iter:   3  06:38:28  -3.93  -2.43  -414.088421    3      1      
iter:   4  06:40:35  -4.42  -3.65  -414.085245    3      1      
iter:   5  06:42:39  -4.66  -3.69  -414.085238    3      1      
iter:   6  06:44:45  -4.70  -4.04  -414.085151    3      1      
iter:   7  06:46:50  -5.03  -4.18  -414.084789    2      1      
iter:   8  06:48:55  -5.47  -4.34  -414.084917    2      1      
iter:   9  06:51:01  -5.79  -4.29  -414.084552    2      1      
iter:  10  06:53:06  -6.16  -4.44  -414.085089    2      1      
iter:  11  06:55:11  -6.69  -4.31  -414.084674    2      1      
iter:  12  06:57:16  -7.08  -4.51  -414.084826    2      1      
iter:  13  06:59:21  -6.94  -4.64  -414.084968    2      1      
iter:  14  07:01:25  -7.03  -4.69  -414.084882    2      1      
iter:  15  07:03:22  -7.35  -4.97  -414.084938    2      1      
iter:  16  07:05:18  -7.60  -4.84  -414.084837    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962503, -32.555430, 0.044885) |e|*Ang

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

Kinetic:        +18.626269
Potential:     -137.159506
External:        +0.000000
XC:            -305.272154
Entropy (-ST):   -1.565022
Local:          +10.503065
--------------------------
Free energy:   -414.867347
Extrapolated:  -414.084837

Fermi level: -6.49641

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56762    0.14908
  0   340     -6.55102    0.14071
  0   341     -6.54984    0.14011
  0   342     -6.51960    0.12393

  1   339     -6.47158    0.19477
  1   340     -6.42285    0.14398
  1   341     -6.38928    0.11340
  1   342     -6.37584    0.10243



Forces in eV/Ang:
  0 O     0.00000   -0.01723    1.17378
  1 Pt    0.00000   -0.00236   -0.37366
  2 Pt    0.00000   -0.01897   -0.43383
  3 O    -1.68246    0.00028   -0.71863
  4 O     1.68246    0.00028   -0.71863
  5 O     0.00000   -0.01202   -1.38636
  6 O     0.00000   -0.00262    1.76983
  7 Pt   -0.00000    0.01387    0.45194
  8 Pt    0.00000   -0.03918    0.75270
  9 O    -1.58101    0.00046    0.05179
 10 O     1.58101    0.00046    0.05179
 11 O     0.00000   -0.00899   -0.56570
 12 O    -0.00000    0.00924    0.13951
 13 Pt   -0.00000    0.27083   -0.03888
 14 Pt    0.00000   -0.01906    0.00852
 15 O    -0.00118    0.00987    0.00379
 16 O     0.00118    0.00987    0.00379
 17 O     0.00000    0.00032   -1.01086
 18 O    -0.00000    0.00362    0.02524
 19 Pt    0.00000   -0.02274    0.12168
 20 Pt   -0.00000    0.00488    0.15771
 21 O    -0.20875    0.37485    0.22263
 22 O     0.20875    0.37485    0.22263
 23 O     0.00000   -0.01825   -0.08682
 24 O     0.00000   -0.00115    1.14980
 25 Pt   -0.00000    0.01652   -0.37713
 26 Pt    0.00000   -0.00027   -0.43418
 27 O    -1.69113    0.01339   -0.71784
 28 O     1.69113    0.01339   -0.71784
 29 O    -0.00000    0.04699   -1.38699
 30 O     0.00000   -0.00457    1.83539
 31 Pt   -0.00000    0.01911    0.51124
 32 Pt    0.00000   -0.14471    0.57380
 33 O    -1.61448   -0.01894    0.07081
 34 O     1.61448   -0.01894    0.07081
 35 O     0.00000   -0.03236   -0.52473
 36 O    -0.00000    0.21088   -0.10983
 37 Pt    0.00000   -0.30308   -0.03978
 38 Pt    0.00000   -0.00487   -0.00984
 39 O     0.00921    0.01158    0.01563
 40 O    -0.00921    0.01158    0.01563
 41 O     0.00000   -0.00878    0.01093
 42 O    -0.00000    0.03057   -0.01731
 43 Pt    0.00000   -0.01250    0.04319
 44 Pt    0.00000   -0.06609   -0.01830
 45 O    -0.14167   -0.36208    0.05745
 46 O     0.14167   -0.36208    0.05745
 47 O     0.00000   -0.02088   -0.05529
 48 O    -0.00000    0.02226    1.17176
 49 Pt    0.00000   -0.02233   -0.37579
 50 Pt   -0.00000    0.02115   -0.43504
 51 O    -1.69026   -0.01399   -0.71818
 52 O     1.69026   -0.01399   -0.71818
 53 O     0.00000   -0.01188   -1.40482
 54 O     0.00000   -0.00206    1.77765
 55 Pt    0.00000   -0.01214    0.51724
 56 Pt   -0.00000    0.12460    0.65057
 57 O    -1.61393    0.01389    0.09202
 58 O     1.61393    0.01389    0.09202
 59 O     0.00000   -0.02119   -0.51634
 60 O     0.00000   -0.20270   -0.11069
 61 Pt   -0.00000    0.01552   -0.08996
 62 Pt   -0.00000    0.01725   -0.00689
 63 O    -0.01514   -0.00722    0.00297
 64 O     0.01514   -0.00722    0.00297
 65 O     0.00000    0.00009    0.00277
 66 O     0.00000   -0.01218   -0.00330
 67 Pt   -0.00000    0.00909    0.02268
 68 Pt   -0.00000    0.14896    0.01775
 69 O    -0.00890    0.00364   -0.03414
 70 O     0.00890    0.00364   -0.03414
 71 O    -0.00000    0.00800   -0.05083
 72 N     0.00000   -0.44615    0.13029
 73 N    -0.00000    0.30309    0.49898

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    3.633706   24.076945    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.551689   23.818432    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:28:39  -2.85   +inf  -414.164285    3      1      
iter:   2  07:30:48  -2.92  -2.65  -416.406703    3      1      
iter:   3  07:32:56  -3.33  -1.94  -414.116856    3      1      
iter:   4  07:35:02  -3.86  -2.98  -414.094863    3      1      
iter:   5  07:37:08  -4.23  -3.68  -414.091715    3      1      
iter:   6  07:39:16  -4.52  -3.82  -414.091477    3      1      
iter:   7  07:41:22  -4.85  -3.90  -414.089854    2      1      
iter:   8  07:43:28  -5.19  -3.80  -414.091412    3      1      
iter:   9  07:45:34  -5.51  -4.19  -414.091269    2      1      
iter:  10  07:47:39  -5.85  -3.97  -414.090672    2      1      
iter:  11  07:49:46  -6.29  -3.98  -414.090868    2      1      
iter:  12  07:51:52  -6.27  -4.30  -414.090880    2      1      
iter:  13  07:53:53  -6.45  -4.45  -414.091135    2      1      
iter:  14  07:55:50  -6.77  -4.62  -414.090951    2      1      
iter:  15  07:57:48  -7.16  -4.56  -414.091053    2      1      
iter:  16  07:59:44  -7.21  -4.76  -414.091244    2      1      
iter:  17  08:01:40  -7.10  -4.48  -414.090970    2      1      
iter:  18  08:03:37  -7.47  -5.02  -414.090980    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962534, -32.550477, 0.041901) |e|*Ang

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

Kinetic:        +17.967418
Potential:     -136.649146
External:        +0.000000
XC:            -305.125936
Entropy (-ST):   -1.565208
Local:          +10.499288
--------------------------
Free energy:   -414.873584
Extrapolated:  -414.090980

Fermi level: -6.49925

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57038    0.14904
  0   340     -6.55369    0.14063
  0   341     -6.55251    0.14002
  0   342     -6.52246    0.12395

  1   339     -6.47425    0.19459
  1   340     -6.42556    0.14386
  1   341     -6.39223    0.11349
  1   342     -6.37908    0.10275



Forces in eV/Ang:
  0 O     0.00000   -0.01723    1.17412
  1 Pt    0.00000   -0.00248   -0.37381
  2 Pt    0.00000   -0.01898   -0.43426
  3 O    -1.68328    0.00025   -0.71839
  4 O     1.68328    0.00025   -0.71839
  5 O     0.00000   -0.01202   -1.38584
  6 O     0.00000   -0.00262    1.76675
  7 Pt   -0.00000    0.01388    0.45108
  8 Pt    0.00000   -0.03902    0.75123
  9 O    -1.58097    0.00048    0.05176
 10 O     1.58097    0.00048    0.05176
 11 O     0.00000   -0.00897   -0.56604
 12 O    -0.00000    0.00963    0.14014
 13 Pt   -0.00000    0.27451   -0.03938
 14 Pt    0.00000   -0.01918    0.00815
 15 O    -0.00120    0.00978    0.00376
 16 O     0.00120    0.00978    0.00376
 17 O    -0.00000    0.00345   -1.02688
 18 O    -0.00000    0.00355    0.02535
 19 Pt    0.00000   -0.02269    0.12329
 20 Pt    0.00000   -0.00044    0.16795
 21 O    -0.20974    0.37739    0.22246
 22 O     0.20974    0.37739    0.22246
 23 O     0.00000   -0.01818   -0.08776
 24 O     0.00000   -0.00114    1.15012
 25 Pt   -0.00000    0.01662   -0.37726
 26 Pt    0.00000   -0.00023   -0.43473
 27 O    -1.69194    0.01340   -0.71761
 28 O     1.69194    0.01340   -0.71761
 29 O    -0.00000    0.04677   -1.38671
 30 O     0.00000   -0.00464    1.83229
 31 Pt   -0.00000    0.01914    0.51039
 32 Pt    0.00000   -0.14429    0.57323
 33 O    -1.61446   -0.01898    0.07077
 34 O     1.61446   -0.01898    0.07077
 35 O     0.00000   -0.03238   -0.52502
 36 O    -0.00000    0.21268   -0.11059
 37 Pt    0.00000   -0.30819   -0.04068
 38 Pt    0.00000   -0.00464   -0.01031
 39 O     0.00921    0.01166    0.01561
 40 O    -0.00921    0.01166    0.01561
 41 O     0.00000   -0.00814    0.01094
 42 O    -0.00000    0.03097   -0.01740
 43 Pt    0.00000   -0.01228    0.04761
 44 Pt    0.00000   -0.07214   -0.01183
 45 O    -0.14815   -0.36833    0.06820
 46 O     0.14815   -0.36833    0.06820
 47 O     0.00000   -0.02090   -0.05624
 48 O    -0.00000    0.02225    1.17210
 49 Pt    0.00000   -0.02230   -0.37597
 50 Pt   -0.00000    0.02113   -0.43562
 51 O    -1.69111   -0.01397   -0.71794
 52 O     1.69111   -0.01397   -0.71794
 53 O     0.00000   -0.01171   -1.40459
 54 O     0.00000   -0.00200    1.77444
 55 Pt    0.00000   -0.01217    0.51646
 56 Pt   -0.00000    0.12409    0.64999
 57 O    -1.61391    0.01387    0.09193
 58 O     1.61391    0.01387    0.09193
 59 O     0.00000   -0.02117   -0.51660
 60 O     0.00000   -0.20480   -0.11123
 61 Pt   -0.00000    0.01611   -0.09153
 62 Pt   -0.00000    0.01714   -0.00706
 63 O    -0.01529   -0.00720    0.00309
 64 O     0.01529   -0.00720    0.00309
 65 O     0.00000    0.00018    0.00017
 66 O     0.00000   -0.01254   -0.00346
 67 Pt   -0.00000    0.00903    0.02230
 68 Pt   -0.00000    0.14938    0.01775
 69 O    -0.00840    0.00392   -0.03518
 70 O     0.00840    0.00392   -0.03518
 71 O    -0.00000    0.00799   -0.05174
 72 N     0.00000   -0.88339    0.05066
 73 N    -0.00000    0.87573    0.56635

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    3.637469   24.080603    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.552981   23.842851    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:15:25  -2.93   +inf  -414.121398    3      1      
iter:   2  08:17:33  -3.44  -3.00  -414.539532    3      1      
iter:   3  08:19:42  -3.75  -2.27  -414.100975    3      1      
iter:   4  08:21:48  -4.35  -3.32  -414.102201    3      1      
iter:   5  08:23:58  -4.85  -3.90  -414.099926    3      1      
iter:   6  08:26:05  -4.75  -3.96  -414.098878    3      1      
iter:   7  08:28:11  -5.39  -3.99  -414.099707    2      1      
iter:   8  08:30:17  -5.24  -4.19  -414.099925    3      1      
iter:   9  08:32:23  -5.55  -4.48  -414.100262    2      1      
iter:  10  08:34:29  -6.15  -3.90  -414.100319    2      1      
iter:  11  08:36:34  -6.33  -4.00  -414.099643    3      1      
iter:  12  08:38:40  -6.42  -4.44  -414.100181    2      1      
iter:  13  08:40:50  -6.60  -4.49  -414.100014    2      1      
iter:  14  08:42:47  -6.90  -4.82  -414.099956    2      1      
iter:  15  08:44:43  -6.93  -5.07  -414.099857    2      1      
iter:  16  08:46:40  -7.24  -4.58  -414.099836    2      1      
iter:  17  08:48:35  -7.78  -4.80  -414.099918    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962630, -32.545499, 0.037463) |e|*Ang

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

Kinetic:        +18.197298
Potential:     -136.842497
External:        +0.000000
XC:            -305.171700
Entropy (-ST):   -1.565304
Local:          +10.499632
--------------------------
Free energy:   -414.882570
Extrapolated:  -414.099918

Fermi level: -6.50305

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57367    0.14879
  0   340     -6.55750    0.14064
  0   341     -6.55634    0.14004
  0   342     -6.52617    0.12390

  1   339     -6.47792    0.19445
  1   340     -6.42938    0.14388
  1   341     -6.39598    0.11345
  1   342     -6.38339    0.10315



Forces in eV/Ang:
  0 O     0.00000   -0.01725    1.17359
  1 Pt    0.00000   -0.00253   -0.37464
  2 Pt    0.00000   -0.01900   -0.43473
  3 O    -1.68317    0.00026   -0.71886
  4 O     1.68317    0.00026   -0.71886
  5 O     0.00000   -0.01202   -1.38576
  6 O     0.00000   -0.00258    1.76703
  7 Pt   -0.00000    0.01387    0.45093
  8 Pt    0.00000   -0.03901    0.75093
  9 O    -1.58102    0.00050    0.05139
 10 O     1.58102    0.00050    0.05139
 11 O     0.00000   -0.00897   -0.56594
 12 O    -0.00000    0.00970    0.14035
 13 Pt   -0.00000    0.27790   -0.03951
 14 Pt    0.00000   -0.01940    0.00825
 15 O    -0.00127    0.00986    0.00326
 16 O     0.00127    0.00986    0.00326
 17 O    -0.00000    0.00609   -1.03871
 18 O    -0.00000    0.00328    0.02540
 19 Pt    0.00000   -0.02211    0.12926
 20 Pt    0.00000   -0.00970    0.17280
 21 O    -0.21019    0.37994    0.22594
 22 O     0.21019    0.37994    0.22594
 23 O     0.00000   -0.01714   -0.08571
 24 O     0.00000   -0.00113    1.14956
 25 Pt   -0.00000    0.01671   -0.37804
 26 Pt    0.00000   -0.00022   -0.43524
 27 O    -1.69181    0.01339   -0.71807
 28 O     1.69181    0.01339   -0.71807
 29 O    -0.00000    0.04658   -1.38682
 30 O     0.00000   -0.00468    1.83266
 31 Pt   -0.00000    0.01916    0.51024
 32 Pt    0.00000   -0.14374    0.57377
 33 O    -1.61451   -0.01897    0.07037
 34 O     1.61451   -0.01897    0.07037
 35 O     0.00000   -0.03239   -0.52491
 36 O    -0.00000    0.21457   -0.11178
 37 Pt    0.00000   -0.31272   -0.04117
 38 Pt    0.00000   -0.00437   -0.01040
 39 O     0.00933    0.01161    0.01503
 40 O    -0.00933    0.01161    0.01503
 41 O     0.00000   -0.00755    0.01392
 42 O    -0.00000    0.03157   -0.01756
 43 Pt    0.00000   -0.01213    0.05652
 44 Pt    0.00000   -0.07303   -0.00847
 45 O    -0.15247   -0.37358    0.08119
 46 O     0.15247   -0.37358    0.08119
 47 O     0.00000   -0.02202   -0.05466
 48 O    -0.00000    0.02226    1.17153
 49 Pt    0.00000   -0.02233   -0.37681
 50 Pt   -0.00000    0.02113   -0.43618
 51 O    -1.69101   -0.01397   -0.71840
 52 O     1.69101   -0.01397   -0.71840
 53 O     0.00000   -0.01155   -1.40470
 54 O     0.00000   -0.00199    1.77476
 55 Pt    0.00000   -0.01217    0.51637
 56 Pt   -0.00000    0.12362    0.65048
 57 O    -1.61401    0.01384    0.09150
 58 O     1.61401    0.01384    0.09150
 59 O     0.00000   -0.02118   -0.51636
 60 O     0.00000   -0.20659   -0.11232
 61 Pt   -0.00000    0.01642   -0.09276
 62 Pt   -0.00000    0.01710   -0.00708
 63 O    -0.01544   -0.00722    0.00264
 64 O     0.01544   -0.00722    0.00264
 65 O     0.00000    0.00031    0.00084
 66 O     0.00000   -0.01285   -0.00365
 67 Pt   -0.00000    0.00865    0.02634
 68 Pt   -0.00000    0.14984    0.02407
 69 O    -0.00789    0.00353   -0.03225
 70 O     0.00789    0.00353   -0.03225
 71 O    -0.00000    0.00812   -0.04986
 72 N     0.00000   -0.61431    0.11797
 73 N    -0.00000    0.56046    0.42226

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    3.641920   24.085013    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.553883   23.867090    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:57:26  -2.95   +inf  -414.106864    3      1      
iter:   2  08:59:33  -3.76  -3.72  -414.113739    2      1      
iter:   3  09:01:40  -4.24  -3.16  -414.108547    2      1      
iter:   4  09:03:46  -4.57  -3.67  -414.106083    3      1      
iter:   5  09:05:52  -4.73  -3.82  -414.107996    3      1      
iter:   6  09:07:57  -4.90  -3.87  -414.107062    3      1      
iter:   7  09:10:03  -5.36  -4.03  -414.107303    2      1      
iter:   8  09:12:11  -5.64  -4.53  -414.107296    2      1      
iter:   9  09:14:20  -6.02  -4.39  -414.107218    2      1      
iter:  10  09:16:28  -6.52  -4.78  -414.107127    2      1      
iter:  11  09:18:37  -7.05  -4.75  -414.107313    2      1      
iter:  12  09:20:45  -7.17  -4.52  -414.107139    2      1      
iter:  13  09:22:55  -7.30  -4.98  -414.107323    2      1      
iter:  14  09:24:51  -7.72  -4.86  -414.107164    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962633, -32.541603, 0.035846) |e|*Ang

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

Kinetic:        +18.286115
Potential:     -136.938552
External:        +0.000000
XC:            -305.170654
Entropy (-ST):   -1.565520
Local:          +10.498686
--------------------------
Free energy:   -414.889924
Extrapolated:  -414.107164

Fermi level: -6.50432

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57470    0.14867
  0   340     -6.55866    0.14058
  0   341     -6.55753    0.13999
  0   342     -6.52746    0.12391

  1   339     -6.47921    0.19446
  1   340     -6.43056    0.14379
  1   341     -6.39725    0.11345
  1   342     -6.38516    0.10354



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17378
  1 Pt    0.00000   -0.00257   -0.37392
  2 Pt    0.00000   -0.01902   -0.43399
  3 O    -1.68336    0.00021   -0.71869
  4 O     1.68336    0.00021   -0.71869
  5 O     0.00000   -0.01206   -1.38554
  6 O     0.00000   -0.00265    1.76678
  7 Pt   -0.00000    0.01405    0.45079
  8 Pt    0.00000   -0.03899    0.75071
  9 O    -1.58125    0.00068    0.05132
 10 O     1.58125    0.00068    0.05132
 11 O     0.00000   -0.00897   -0.56614
 12 O    -0.00000    0.01014    0.14031
 13 Pt   -0.00000    0.28051   -0.03983
 14 Pt    0.00000   -0.01930    0.00774
 15 O    -0.00139    0.01000    0.00316
 16 O     0.00139    0.01000    0.00316
 17 O    -0.00000    0.00831   -1.04966
 18 O    -0.00000    0.00334    0.02538
 19 Pt    0.00000   -0.02222    0.12817
 20 Pt    0.00000   -0.01701    0.17350
 21 O    -0.21126    0.38256    0.22508
 22 O     0.21126    0.38256    0.22508
 23 O     0.00000   -0.01807   -0.08710
 24 O     0.00000   -0.00109    1.14973
 25 Pt   -0.00000    0.01677   -0.37733
 26 Pt    0.00000   -0.00014   -0.43466
 27 O    -1.69199    0.01342   -0.71792
 28 O     1.69199    0.01342   -0.71792
 29 O    -0.00000    0.04648   -1.38689
 30 O     0.00000   -0.00459    1.83206
 31 Pt   -0.00000    0.01908    0.51025
 32 Pt    0.00000   -0.14331    0.57446
 33 O    -1.61472   -0.01912    0.07032
 34 O     1.61472   -0.01912    0.07032
 35 O     0.00000   -0.03236   -0.52505
 36 O    -0.00000    0.21583   -0.11247
 37 Pt    0.00000   -0.31681   -0.04196
 38 Pt    0.00000   -0.00434   -0.01089
 39 O     0.00899    0.01153    0.01506
 40 O    -0.00899    0.01153    0.01506
 41 O     0.00000   -0.00681    0.01337
 42 O    -0.00000    0.03214   -0.01789
 43 Pt    0.00000   -0.01199    0.05555
 44 Pt    0.00000   -0.07348   -0.01376
 45 O    -0.15635   -0.37917    0.08588
 46 O     0.15635   -0.37917    0.08588
 47 O     0.00000   -0.02084   -0.05637
 48 O    -0.00000    0.02223    1.17171
 49 Pt    0.00000   -0.02234   -0.37617
 50 Pt   -0.00000    0.02108   -0.43561
 51 O    -1.69125   -0.01395   -0.71821
 52 O     1.69125   -0.01395   -0.71821
 53 O     0.00000   -0.01144   -1.40470
 54 O     0.00000   -0.00201    1.77402
 55 Pt    0.00000   -0.01225    0.51621
 56 Pt   -0.00000    0.12323    0.65089
 57 O    -1.61421    0.01380    0.09140
 58 O     1.61421    0.01380    0.09140
 59 O     0.00000   -0.02120   -0.51663
 60 O     0.00000   -0.20817   -0.11255
 61 Pt   -0.00000    0.01720   -0.09407
 62 Pt   -0.00000    0.01697   -0.00721
 63 O    -0.01550   -0.00729    0.00257
 64 O     0.01550   -0.00729    0.00257
 65 O     0.00000    0.00029   -0.00127
 66 O     0.00000   -0.01345   -0.00387
 67 Pt   -0.00000    0.00895    0.02371
 68 Pt   -0.00000    0.14912    0.02100
 69 O    -0.00813    0.00375   -0.03407
 70 O     0.00813    0.00375   -0.03407
 71 O    -0.00000    0.00784   -0.05106
 72 N     0.00000   -0.55040    0.08227
 73 N    -0.00000    0.53141    0.29466

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    3.646322   24.089602    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.554668   23.890652    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:42:06  -2.96   +inf  -414.119578    3      1      
iter:   2  09:44:14  -3.68  -3.25  -414.229174    3      1      
iter:   3  09:46:18  -4.06  -2.55  -414.113731    3      1      
iter:   4  09:48:23  -4.58  -3.59  -414.115474    3      1      
iter:   5  09:50:29  -4.78  -3.87  -414.113090    3      1      
iter:   6  09:52:35  -4.79  -4.03  -414.113467    2      1      
iter:   7  09:54:40  -5.34  -4.15  -414.113737    2      1      
iter:   8  09:56:46  -5.58  -4.53  -414.113544    2      1      
iter:   9  09:58:51  -5.84  -4.49  -414.113603    2      1      
iter:  10  10:00:58  -6.52  -4.52  -414.113604    2      1      
iter:  11  10:03:03  -7.03  -4.57  -414.113506    2      1      
iter:  12  10:05:08  -7.24  -4.60  -414.113778    2      1      
iter:  13  10:07:10  -7.09  -4.76  -414.113575    2      1      
iter:  14  10:09:05  -7.30  -4.86  -414.113651    2      1      
iter:  15  10:11:02  -7.64  -5.14  -414.113613    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962660, -32.537674, 0.032823) |e|*Ang

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

Kinetic:        +18.265763
Potential:     -136.943311
External:        +0.000000
XC:            -305.151173
Entropy (-ST):   -1.565532
Local:          +10.497874
--------------------------
Free energy:   -414.896379
Extrapolated:  -414.113613

Fermi level: -6.50680

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57666    0.14842
  0   340     -6.56119    0.14060
  0   341     -6.56009    0.14003
  0   342     -6.52982    0.12384

  1   339     -6.48162    0.19439
  1   340     -6.43310    0.14385
  1   341     -6.39970    0.11343
  1   342     -6.38807    0.10388



Forces in eV/Ang:
  0 O     0.00000   -0.01724    1.17378
  1 Pt    0.00000   -0.00265   -0.37422
  2 Pt    0.00000   -0.01897   -0.43418
  3 O    -1.68326    0.00030   -0.71866
  4 O     1.68326    0.00030   -0.71866
  5 O     0.00000   -0.01205   -1.38567
  6 O     0.00000   -0.00271    1.76704
  7 Pt   -0.00000    0.01394    0.45106
  8 Pt    0.00000   -0.03905    0.75108
  9 O    -1.58104    0.00058    0.05145
 10 O     1.58104    0.00058    0.05145
 11 O     0.00000   -0.00898   -0.56592
 12 O    -0.00000    0.01037    0.14111
 13 Pt   -0.00000    0.28333   -0.03926
 14 Pt    0.00000   -0.01930    0.00854
 15 O    -0.00113    0.01016    0.00325
 16 O     0.00113    0.01016    0.00325
 17 O    -0.00000    0.01044   -1.06205
 18 O    -0.00000    0.00326    0.02556
 19 Pt    0.00000   -0.02174    0.12986
 20 Pt    0.00000   -0.02297    0.17279
 21 O    -0.21220    0.38445    0.22559
 22 O     0.21220    0.38445    0.22559
 23 O     0.00000   -0.01805   -0.08828
 24 O     0.00000   -0.00113    1.14975
 25 Pt   -0.00000    0.01685   -0.37764
 26 Pt    0.00000   -0.00023   -0.43474
 27 O    -1.69193    0.01336   -0.71791
 28 O     1.69193    0.01336   -0.71791
 29 O    -0.00000    0.04633   -1.38707
 30 O     0.00000   -0.00437    1.83285
 31 Pt   -0.00000    0.01917    0.51055
 32 Pt    0.00000   -0.14262    0.57527
 33 O    -1.61444   -0.01907    0.07046
 34 O     1.61444   -0.01907    0.07046
 35 O     0.00000   -0.03229   -0.52501
 36 O    -0.00000    0.21739   -0.11320
 37 Pt    0.00000   -0.32053   -0.04174
 38 Pt    0.00000   -0.00466   -0.01054
 39 O     0.00926    0.01144    0.01521
 40 O    -0.00926    0.01144    0.01521
 41 O     0.00000   -0.00656    0.01796
 42 O    -0.00000    0.03230   -0.01795
 43 Pt    0.00000   -0.01205    0.05899
 44 Pt    0.00000   -0.07569   -0.01269
 45 O    -0.16115   -0.38377    0.09554
 46 O     0.16115   -0.38377    0.09554
 47 O     0.00000   -0.02111   -0.05754
 48 O    -0.00000    0.02225    1.17174
 49 Pt    0.00000   -0.02233   -0.37635
 50 Pt   -0.00000    0.02112   -0.43564
 51 O    -1.69110   -0.01398   -0.71816
 52 O     1.69110   -0.01398   -0.71816
 53 O     0.00000   -0.01134   -1.40480
 54 O     0.00000   -0.00217    1.77504
 55 Pt    0.00000   -0.01223    0.51639
 56 Pt   -0.00000    0.12268    0.65152
 57 O    -1.61405    0.01384    0.09135
 58 O     1.61405    0.01384    0.09135
 59 O     0.00000   -0.02128   -0.51668
 60 O     0.00000   -0.20983   -0.11319
 61 Pt   -0.00000    0.01756   -0.09403
 62 Pt   -0.00000    0.01728   -0.00685
 63 O    -0.01521   -0.00736    0.00259
 64 O     0.01521   -0.00736    0.00259
 65 O     0.00000    0.00059    0.00184
 66 O     0.00000   -0.01350   -0.00403
 67 Pt   -0.00000    0.00878    0.02421
 68 Pt   -0.00000    0.14948    0.02149
 69 O    -0.00878    0.00383   -0.03440
 70 O     0.00878    0.00383   -0.03440
 71 O    -0.00000    0.00809   -0.05188
 72 N     0.00000   -0.55601    0.10933
 73 N    -0.00000    0.52807    0.33411

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    3.649261   24.094769    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.556590   23.915350    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:26:41  -2.91   +inf  -414.131242    3      1      
iter:   2  10:28:48  -3.60  -3.19  -414.269050    3      1      
iter:   3  10:30:55  -3.98  -2.50  -414.121367    3      1      
iter:   4  10:33:03  -4.49  -3.31  -414.121624    3      1      
iter:   5  10:35:09  -4.85  -3.96  -414.119788    3      1      
iter:   6  10:37:15  -4.70  -3.82  -414.119345    3      1      
iter:   7  10:39:21  -5.24  -4.02  -414.119867    2      1      
iter:   8  10:41:26  -5.39  -4.24  -414.119901    3      1      
iter:   9  10:43:31  -5.70  -4.41  -414.120392    2      1      
iter:  10  10:45:41  -6.17  -4.20  -414.120166    2      1      
iter:  11  10:47:49  -6.50  -3.95  -414.120070    2      1      
iter:  12  10:49:57  -6.85  -4.55  -414.120151    2      1      
iter:  13  10:51:54  -6.87  -4.63  -414.119903    2      1      
iter:  14  10:53:51  -7.39  -4.73  -414.119980    2      1      
iter:  15  10:55:48  -7.24  -4.93  -414.119888    2      1      
iter:  16  10:57:44  -7.67  -5.03  -414.119993    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962742, -32.533967, 0.030732) |e|*Ang

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

Kinetic:        +18.539256
Potential:     -137.172600
External:        +0.000000
XC:            -305.203212
Entropy (-ST):   -1.565594
Local:          +10.499359
--------------------------
Free energy:   -414.902790
Extrapolated:  -414.119993

Fermi level: -6.50926

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57900    0.14836
  0   340     -6.56340    0.14047
  0   341     -6.56226    0.13989
  0   342     -6.53239    0.12390

  1   339     -6.48379    0.19408
  1   340     -6.43538    0.14367
  1   341     -6.40207    0.11335
  1   342     -6.39108    0.10433



Forces in eV/Ang:
  0 O     0.00000   -0.01727    1.17373
  1 Pt    0.00000   -0.00270   -0.37540
  2 Pt    0.00000   -0.01900   -0.43536
  3 O    -1.68459    0.00026   -0.71874
  4 O     1.68459    0.00026   -0.71874
  5 O     0.00000   -0.01201   -1.38523
  6 O     0.00000   -0.00262    1.76149
  7 Pt   -0.00000    0.01385    0.44911
  8 Pt    0.00000   -0.03901    0.74926
  9 O    -1.58101    0.00052    0.05112
 10 O     1.58101    0.00052    0.05112
 11 O     0.00000   -0.00895   -0.56653
 12 O    -0.00000    0.01038    0.14118
 13 Pt   -0.00000    0.28633   -0.04061
 14 Pt    0.00000   -0.01959    0.00773
 15 O    -0.00081    0.00996    0.00289
 16 O     0.00081    0.00996    0.00289
 17 O    -0.00000    0.01215   -1.07573
 18 O    -0.00000    0.00299    0.02590
 19 Pt    0.00000   -0.02183    0.13392
 20 Pt    0.00000   -0.02905    0.17835
 21 O    -0.21220    0.38612    0.22819
 22 O     0.21220    0.38612    0.22819
 23 O     0.00000   -0.01696   -0.08582
 24 O     0.00000   -0.00112    1.14967
 25 Pt   -0.00000    0.01694   -0.37873
 26 Pt    0.00000   -0.00020   -0.43600
 27 O    -1.69322    0.01338   -0.71796
 28 O     1.69322    0.01338   -0.71796
 29 O    -0.00000    0.04612   -1.38682
 30 O     0.00000   -0.00464    1.82728
 31 Pt   -0.00000    0.01923    0.50851
 32 Pt    0.00000   -0.14227    0.57411
 33 O    -1.61444   -0.01902    0.07009
 34 O     1.61444   -0.01902    0.07009
 35 O     0.00000   -0.03238   -0.52550
 36 O    -0.00000    0.21900   -0.11439
 37 Pt    0.00000   -0.32429   -0.04327
 38 Pt    0.00000   -0.00421   -0.01143
 39 O     0.00989    0.01161    0.01475
 40 O    -0.00989    0.01161    0.01475
 41 O     0.00000   -0.00617    0.01599
 42 O    -0.00000    0.03260   -0.01766
 43 Pt    0.00000   -0.01149    0.06662
 44 Pt    0.00000   -0.07746   -0.00757
 45 O    -0.16529   -0.38769    0.10799
 46 O     0.16529   -0.38769    0.10799
 47 O     0.00000   -0.02239   -0.05576
 48 O    -0.00000    0.02228    1.17165
 49 Pt    0.00000   -0.02236   -0.37756
 50 Pt   -0.00000    0.02112   -0.43698
 51 O    -1.69246   -0.01396   -0.71823
 52 O     1.69246   -0.01396   -0.71823
 53 O     0.00000   -0.01119   -1.40455
 54 O     0.00000   -0.00200    1.76942
 55 Pt    0.00000   -0.01220    0.51457
 56 Pt   -0.00000    0.12234    0.65041
 57 O    -1.61409    0.01383    0.09099
 58 O     1.61409    0.01383    0.09099
 59 O     0.00000   -0.02121   -0.51693
 60 O     0.00000   -0.21135   -0.11426
 61 Pt   -0.00000    0.01777   -0.09643
 62 Pt   -0.00000    0.01714   -0.00777
 63 O    -0.01517   -0.00731    0.00235
 64 O     0.01517   -0.00731    0.00235
 65 O     0.00000    0.00076   -0.00269
 66 O     0.00000   -0.01354   -0.00384
 67 Pt   -0.00000    0.00858    0.02674
 68 Pt   -0.00000    0.15023    0.02621
 69 O    -0.00743    0.00349   -0.03220
 70 O     0.00743    0.00349   -0.03220
 71 O    -0.00000    0.00833   -0.05023
 72 N     0.00000   -0.23507    0.20286
 73 N    -0.00000    0.18186    0.20221

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    3.654343   24.102099    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.557224   23.941519    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:08:53  -2.83   +inf  -414.160810    3      1      
iter:   2  11:11:03  -3.18  -2.80  -415.212041    3      1      
iter:   3  11:13:08  -3.53  -2.09  -414.136764    3      1      
iter:   4  11:15:14  -4.13  -3.36  -414.127177    3      1      
iter:   5  11:17:19  -4.62  -3.76  -414.128087    3      1      
iter:   6  11:19:24  -4.63  -3.74  -414.125429    3      1      
iter:   7  11:21:28  -4.83  -3.99  -414.125212    2      1      
iter:   8  11:23:33  -5.28  -4.12  -414.125918    2      1      
iter:   9  11:25:36  -5.81  -4.33  -414.125557    2      1      
iter:  10  11:27:42  -6.50  -4.36  -414.126314    2      1      
iter:  11  11:29:47  -6.41  -4.27  -414.125701    2      1      
iter:  12  11:31:53  -6.91  -4.46  -414.125699    2      1      
iter:  13  11:33:54  -6.78  -4.27  -414.125836    2      1      
iter:  14  11:35:50  -6.92  -4.64  -414.125864    2      1      
iter:  15  11:37:45  -7.01  -4.88  -414.125906    2      1      
iter:  16  11:39:41  -7.31  -4.90  -414.125667    2      1      
iter:  17  11:41:37  -8.00  -4.95  -414.125809    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962705, -32.530432, 0.027921) |e|*Ang

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

Kinetic:        +18.368599
Potential:     -137.071239
External:        +0.000000
XC:            -305.138851
Entropy (-ST):   -1.565696
Local:          +10.498530
--------------------------
Free energy:   -414.908657
Extrapolated:  -414.125809

Fermi level: -6.51069

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57967    0.14799
  0   340     -6.56511    0.14062
  0   341     -6.56405    0.14007
  0   342     -6.53367    0.12382

  1   339     -6.48543    0.19430
  1   340     -6.43701    0.14387
  1   341     -6.40356    0.11340
  1   342     -6.39294    0.10467



Forces in eV/Ang:
  0 O     0.00000   -0.01727    1.17420
  1 Pt    0.00000   -0.00275   -0.37383
  2 Pt    0.00000   -0.01898   -0.43352
  3 O    -1.68302    0.00028   -0.71871
  4 O     1.68302    0.00028   -0.71871
  5 O     0.00000   -0.01201   -1.38600
  6 O     0.00000   -0.00265    1.76807
  7 Pt   -0.00000    0.01386    0.45102
  8 Pt    0.00000   -0.03907    0.75063
  9 O    -1.58095    0.00051    0.05086
 10 O     1.58095    0.00051    0.05086
 11 O     0.00000   -0.00895   -0.56628
 12 O    -0.00000    0.01060    0.14162
 13 Pt   -0.00000    0.28872   -0.03850
 14 Pt    0.00000   -0.01948    0.00933
 15 O    -0.00115    0.01009    0.00330
 16 O     0.00115    0.01009    0.00330
 17 O    -0.00000    0.01387   -1.08260
 18 O    -0.00000    0.00315    0.02561
 19 Pt    0.00000   -0.02196    0.13136
 20 Pt    0.00000   -0.03399    0.17266
 21 O    -0.21428    0.38842    0.22620
 22 O     0.21428    0.38842    0.22620
 23 O     0.00000   -0.01845   -0.09024
 24 O     0.00000   -0.00113    1.15014
 25 Pt   -0.00000    0.01700   -0.37718
 26 Pt    0.00000   -0.00021   -0.43417
 27 O    -1.69168    0.01336   -0.71795
 28 O     1.69168    0.01336   -0.71795
 29 O    -0.00000    0.04598   -1.38773
 30 O     0.00000   -0.00454    1.83396
 31 Pt   -0.00000    0.01925    0.51049
 32 Pt    0.00000   -0.14178    0.57598
 33 O    -1.61433   -0.01904    0.06986
 34 O     1.61433   -0.01904    0.06986
 35 O     0.00000   -0.03239   -0.52532
 36 O    -0.00000    0.22025   -0.11488
 37 Pt    0.00000   -0.32765   -0.04144
 38 Pt    0.00000   -0.00442   -0.00997
 39 O     0.00947    0.01156    0.01544
 40 O    -0.00947    0.01156    0.01544
 41 O     0.00000   -0.00566    0.02277
 42 O    -0.00000    0.03264   -0.01811
 43 Pt    0.00000   -0.01132    0.06358
 44 Pt    0.00000   -0.07886   -0.01466
 45 O    -0.17005   -0.39267    0.11214
 46 O     0.17005   -0.39267    0.11214
 47 O     0.00000   -0.02085   -0.06034
 48 O    -0.00000    0.02229    1.17212
 49 Pt    0.00000   -0.02236   -0.37598
 50 Pt   -0.00000    0.02111   -0.43512
 51 O    -1.69090   -0.01396   -0.71822
 52 O     1.69090   -0.01396   -0.71822
 53 O     0.00000   -0.01108   -1.40541
 54 O     0.00000   -0.00206    1.77620
 55 Pt    0.00000   -0.01222    0.51645
 56 Pt   -0.00000    0.12195    0.65206
 57 O    -1.61405    0.01385    0.09064
 58 O     1.61405    0.01385    0.09064
 59 O     0.00000   -0.02121   -0.51688
 60 O     0.00000   -0.21276   -0.11459
 61 Pt   -0.00000    0.01830   -0.09497
 62 Pt   -0.00000    0.01724   -0.00620
 63 O    -0.01547   -0.00740    0.00276
 64 O     0.01547   -0.00740    0.00276
 65 O     0.00000    0.00076    0.00293
 66 O     0.00000   -0.01374   -0.00425
 67 Pt   -0.00000    0.00879    0.02307
 68 Pt   -0.00000    0.15023    0.02017
 69 O    -0.00890    0.00385   -0.03503
 70 O     0.00890    0.00385   -0.03503
 71 O    -0.00000    0.00825   -0.05387
 72 N     0.00000   -0.48017    0.18441
 73 N    -0.00000    0.42118    0.30347

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    3.657227   24.110624    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.559709   23.970028    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:55:33  -2.76   +inf  -414.139371    3      1      
iter:   2  11:57:51  -3.60  -3.40  -414.144662    3      1      
iter:   3  12:00:00  -4.09  -3.02  -414.135632    3      1      
iter:   4  12:02:09  -4.52  -3.24  -414.135473    3      1      
iter:   5  12:04:18  -4.66  -3.82  -414.133527    3      1      
iter:   6  12:06:28  -4.61  -3.67  -414.133434    3      1      
iter:   7  12:08:38  -5.02  -3.90  -414.133694    2      1      
iter:   8  12:10:47  -5.36  -4.36  -414.134165    2      1      
iter:   9  12:12:56  -5.86  -4.15  -414.133674    2      1      
iter:  10  12:15:06  -6.36  -4.28  -414.133865    2      1      
iter:  11  12:17:16  -6.62  -4.41  -414.133517    2      1      
iter:  12  12:19:26  -7.13  -4.62  -414.133675    2      1      
iter:  13  12:21:22  -6.98  -4.77  -414.133493    2      1      
iter:  14  12:23:18  -7.13  -4.72  -414.133506    2      1      
iter:  15  12:25:13  -7.52  -5.00  -414.133646    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962832, -32.526705, 0.025865) |e|*Ang

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

Kinetic:        +18.572685
Potential:     -137.236197
External:        +0.000000
XC:            -305.185898
Entropy (-ST):   -1.565719
Local:          +10.498623
--------------------------
Free energy:   -414.916506
Extrapolated:  -414.133646

Fermi level: -6.51360

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58258    0.14798
  0   340     -6.56760    0.14040
  0   341     -6.56650    0.13983
  0   342     -6.53677    0.12392

  1   339     -6.48795    0.19388
  1   340     -6.43964    0.14359
  1   341     -6.40628    0.11324
  1   342     -6.39647    0.10516



Forces in eV/Ang:
  0 O     0.00000   -0.01730    1.17364
  1 Pt    0.00000   -0.00280   -0.37598
  2 Pt    0.00000   -0.01900   -0.43596
  3 O    -1.68516    0.00026   -0.71888
  4 O     1.68516    0.00026   -0.71888
  5 O     0.00000   -0.01197   -1.38500
  6 O     0.00000   -0.00265    1.75964
  7 Pt   -0.00000    0.01391    0.44827
  8 Pt    0.00000   -0.03908    0.74881
  9 O    -1.58083    0.00058    0.05094
 10 O     1.58083    0.00058    0.05094
 11 O     0.00000   -0.00892   -0.56681
 12 O    -0.00000    0.01079    0.14154
 13 Pt   -0.00000    0.29129   -0.04053
 14 Pt    0.00000   -0.01966    0.00797
 15 O    -0.00029    0.01010    0.00297
 16 O     0.00029    0.01010    0.00297
 17 O    -0.00000    0.01496   -1.09802
 18 O    -0.00000    0.00274    0.02663
 19 Pt    0.00000   -0.02141    0.13709
 20 Pt    0.00000   -0.03943    0.18091
 21 O    -0.21328    0.38993    0.23089
 22 O     0.21328    0.38993    0.23089
 23 O     0.00000   -0.01708   -0.08606
 24 O     0.00000   -0.00109    1.14957
 25 Pt   -0.00000    0.01707   -0.37927
 26 Pt    0.00000   -0.00017   -0.43669
 27 O    -1.69379    0.01338   -0.71811
 28 O     1.69379    0.01338   -0.71811
 29 O    -0.00000    0.04583   -1.38693
 30 O     0.00000   -0.00456    1.82538
 31 Pt   -0.00000    0.01924    0.50779
 32 Pt    0.00000   -0.14134    0.57480
 33 O    -1.61420   -0.01908    0.06994
 34 O     1.61420   -0.01908    0.06994
 35 O     0.00000   -0.03240   -0.52588
 36 O    -0.00000    0.22169   -0.11602
 37 Pt    0.00000   -0.33106   -0.04409
 38 Pt    0.00000   -0.00421   -0.01138
 39 O     0.01039    0.01155    0.01486
 40 O    -0.01039    0.01155    0.01486
 41 O     0.00000   -0.00500    0.01883
 42 O    -0.00000    0.03357   -0.01754
 43 Pt    0.00000   -0.01132    0.07360
 44 Pt    0.00000   -0.07927   -0.00690
 45 O    -0.17316   -0.39607    0.12698
 46 O     0.17316   -0.39607    0.12698
 47 O     0.00000   -0.02238   -0.05658
 48 O    -0.00000    0.02227    1.17156
 49 Pt    0.00000   -0.02238   -0.37814
 50 Pt   -0.00000    0.02108   -0.43772
 51 O    -1.69306   -0.01395   -0.71835
 52 O     1.69306   -0.01395   -0.71835
 53 O     0.00000   -0.01098   -1.40452
 54 O     0.00000   -0.00204    1.76751
 55 Pt    0.00000   -0.01226    0.51371
 56 Pt   -0.00000    0.12157    0.65071
 57 O    -1.61396    0.01382    0.09067
 58 O     1.61396    0.01382    0.09067
 59 O     0.00000   -0.02123   -0.51732
 60 O     0.00000   -0.21428   -0.11525
 61 Pt   -0.00000    0.01871   -0.09768
 62 Pt   -0.00000    0.01721   -0.00736
 63 O    -0.01458   -0.00740    0.00246
 64 O     0.01458   -0.00740    0.00246
 65 O     0.00000    0.00092   -0.00295
 66 O     0.00000   -0.01420   -0.00379
 67 Pt   -0.00000    0.00852    0.02731
 68 Pt   -0.00000    0.15009    0.02796
 69 O    -0.00743    0.00336   -0.03117
 70 O     0.00743    0.00336   -0.03117
 71 O    -0.00000    0.00844   -0.05056
 72 N     0.00000   -0.20604    0.22739
 73 N    -0.00000    0.11911    0.26878

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    3.661109   24.119198    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.561131   23.998653    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:40:09  -2.75   +inf  -414.248750    3      1      
iter:   2  12:42:19  -2.83  -2.58  -417.145192    3      1      
iter:   3  12:44:29  -3.19  -1.89  -414.158381    3      1      
iter:   4  12:46:40  -3.81  -3.12  -414.145608    2      1      
iter:   5  12:48:49  -4.23  -3.68  -414.145038    3      1      
iter:   6  12:50:59  -4.62  -3.70  -414.141245    3      1      
iter:   7  12:53:10  -4.90  -3.92  -414.141807    1      1      
iter:   8  12:55:19  -5.09  -3.92  -414.142561    3      1      
iter:   9  12:57:28  -5.52  -4.06  -414.142321    2      1      
iter:  10  12:59:37  -6.08  -3.96  -414.142325    2      1      
iter:  11  13:01:47  -6.43  -4.24  -414.142650    2      1      
iter:  12  13:03:56  -6.44  -4.39  -414.141954    2      1      
iter:  13  13:05:51  -6.64  -4.45  -414.142361    2      1      
iter:  14  13:07:48  -6.74  -4.72  -414.142307    2      1      
iter:  15  13:09:45  -6.94  -4.82  -414.142420    2      1      
iter:  16  13:11:41  -7.28  -4.37  -414.142325    2      1      
iter:  17  13:13:38  -7.47  -4.70  -414.142275    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962717, -32.523253, 0.022800) |e|*Ang

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

Kinetic:        +18.619086
Potential:     -137.304990
External:        +0.000000
XC:            -305.169263
Entropy (-ST):   -1.565891
Local:          +10.495838
--------------------------
Free energy:   -414.925220
Extrapolated:  -414.142275

Fermi level: -6.51509

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58325    0.14758
  0   340     -6.56937    0.14055
  0   341     -6.56836    0.14002
  0   342     -6.53817    0.12388

  1   339     -6.48971    0.19417
  1   340     -6.44133    0.14379
  1   341     -6.40781    0.11328
  1   342     -6.39841    0.10553



Forces in eV/Ang:
  0 O     0.00000   -0.01731    1.17411
  1 Pt    0.00000   -0.00282   -0.37396
  2 Pt    0.00000   -0.01901   -0.43334
  3 O    -1.68324    0.00027   -0.71829
  4 O     1.68324    0.00027   -0.71829
  5 O     0.00000   -0.01197   -1.38499
  6 O     0.00000   -0.00266    1.76759
  7 Pt   -0.00000    0.01385    0.45142
  8 Pt    0.00000   -0.03914    0.75132
  9 O    -1.58084    0.00055    0.05125
 10 O     1.58084    0.00055    0.05125
 11 O     0.00000   -0.00894   -0.56570
 12 O    -0.00000    0.01075    0.14256
 13 Pt   -0.00000    0.29379   -0.03809
 14 Pt    0.00000   -0.01964    0.00946
 15 O    -0.00096    0.01017    0.00327
 16 O     0.00096    0.01017    0.00327
 17 O    -0.00000    0.01631   -1.10295
 18 O    -0.00000    0.00295    0.02598
 19 Pt    0.00000   -0.02172    0.13515
 20 Pt    0.00000   -0.04267    0.17702
 21 O    -0.21540    0.39237    0.22810
 22 O     0.21540    0.39237    0.22810
 23 O     0.00000   -0.01764   -0.08953
 24 O     0.00000   -0.00109    1.15002
 25 Pt   -0.00000    0.01714   -0.37724
 26 Pt    0.00000   -0.00018   -0.43409
 27 O    -1.69187    0.01337   -0.71753
 28 O     1.69187    0.01337   -0.71753
 29 O    -0.00000    0.04568   -1.38701
 30 O     0.00000   -0.00455    1.83353
 31 Pt   -0.00000    0.01931    0.51093
 32 Pt    0.00000   -0.14088    0.57779
 33 O    -1.61418   -0.01907    0.07025
 34 O     1.61418   -0.01907    0.07025
 35 O     0.00000   -0.03238   -0.52473
 36 O    -0.00000    0.22306   -0.11602
 37 Pt    0.00000   -0.33415   -0.04171
 38 Pt    0.00000   -0.00423   -0.01014
 39 O     0.00980    0.01153    0.01545
 40 O    -0.00980    0.01153    0.01545
 41 O     0.00000   -0.00456    0.02679
 42 O    -0.00000    0.03321   -0.01821
 43 Pt    0.00000   -0.01095    0.07300
 44 Pt    0.00000   -0.08183   -0.01013
 45 O    -0.17918   -0.40092    0.13367
 46 O     0.17918   -0.40092    0.13367
 47 O     0.00000   -0.02193   -0.06057
 48 O    -0.00000    0.02229    1.17201
 49 Pt    0.00000   -0.02242   -0.37613
 50 Pt   -0.00000    0.02110   -0.43512
 51 O    -1.69114   -0.01396   -0.71777
 52 O     1.69114   -0.01396   -0.71777
 53 O     0.00000   -0.01085   -1.40456
 54 O     0.00000   -0.00203    1.77570
 55 Pt    0.00000   -0.01225    0.51692
 56 Pt   -0.00000    0.12122    0.65362
 57 O    -1.61399    0.01383    0.09092
 58 O     1.61399    0.01383    0.09092
 59 O     0.00000   -0.02124   -0.51613
 60 O     0.00000   -0.21553   -0.11513
 61 Pt   -0.00000    0.01898   -0.09596
 62 Pt   -0.00000    0.01723   -0.00615
 63 O    -0.01538   -0.00744    0.00282
 64 O     0.01538   -0.00744    0.00282
 65 O     0.00000    0.00101    0.00306
 66 O     0.00000   -0.01406   -0.00443
 67 Pt   -0.00000    0.00867    0.02423
 68 Pt   -0.00000    0.15065    0.02305
 69 O    -0.00860    0.00344   -0.03462
 70 O     0.00860    0.00344   -0.03462
 71 O    -0.00000    0.00856   -0.05404
 72 N     0.00000   -0.20450    0.24732
 73 N    -0.00000    0.11643    0.28991

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    3.664626   24.128437    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.562589   24.027884    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:19:25  -2.75   +inf  -414.152054    3      1      
iter:   2  13:21:34  -3.52  -3.25  -414.283888    2      1      
iter:   3  13:23:43  -3.96  -2.54  -414.150730    2      1      
iter:   4  13:25:52  -4.42  -3.72  -414.149982    2      1      
iter:   5  13:28:01  -4.34  -4.04  -414.148982    3      1      
iter:   6  13:30:10  -4.76  -3.99  -414.150207    2      1      
iter:   7  13:32:20  -5.26  -4.04  -414.149094    3      1      
iter:   8  13:34:29  -5.65  -4.31  -414.149575    2      1      
iter:   9  13:36:32  -5.88  -4.29  -414.149387    2      1      
iter:  10  13:38:38  -6.36  -4.19  -414.149515    2      1      
iter:  11  13:40:43  -6.84  -4.41  -414.149375    2      1      
iter:  12  13:42:48  -6.81  -4.53  -414.149460    2      1      
iter:  13  13:44:41  -7.24  -4.68  -414.149362    2      1      
iter:  14  13:46:34  -7.59  -5.10  -414.149517    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962872, -32.520079, 0.020869) |e|*Ang

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

Kinetic:        +18.551639
Potential:     -137.266132
External:        +0.000000
XC:            -305.147196
Entropy (-ST):   -1.565802
Local:          +10.495074
--------------------------
Free energy:   -414.932418
Extrapolated:  -414.149517

Fermi level: -6.51713

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58493    0.14740
  0   340     -6.57138    0.14053
  0   341     -6.57039    0.14002
  0   342     -6.54028    0.12392

  1   339     -6.49156    0.19397
  1   340     -6.44336    0.14378
  1   341     -6.40979    0.11323
  1   342     -6.40094    0.10592



Forces in eV/Ang:
  0 O     0.00000   -0.01731    1.17367
  1 Pt    0.00000   -0.00284   -0.37514
  2 Pt    0.00000   -0.01897   -0.43515
  3 O    -1.68343    0.00030   -0.71877
  4 O     1.68343    0.00030   -0.71877
  5 O     0.00000   -0.01197   -1.38553
  6 O     0.00000   -0.00274    1.76604
  7 Pt   -0.00000    0.01389    0.45129
  8 Pt    0.00000   -0.03927    0.75082
  9 O    -1.58075    0.00056    0.05214
 10 O     1.58075    0.00056    0.05214
 11 O     0.00000   -0.00893   -0.56575
 12 O    -0.00000    0.01105    0.14231
 13 Pt   -0.00000    0.29591   -0.03774
 14 Pt    0.00000   -0.01959    0.00984
 15 O    -0.00091    0.01029    0.00412
 16 O     0.00091    0.01029    0.00412
 17 O    -0.00000    0.01716   -1.11179
 18 O    -0.00000    0.00287    0.02616
 19 Pt    0.00000   -0.02164    0.13761
 20 Pt    0.00000   -0.04773    0.17737
 21 O    -0.21584    0.39376    0.23043
 22 O     0.21584    0.39376    0.23043
 23 O     0.00000   -0.01811   -0.08910
 24 O     0.00000   -0.00111    1.14957
 25 Pt   -0.00000    0.01718   -0.37843
 26 Pt    0.00000   -0.00020   -0.43592
 27 O    -1.69208    0.01336   -0.71800
 28 O     1.69208    0.01336   -0.71800
 29 O    -0.00000    0.04559   -1.38772
 30 O     0.00000   -0.00443    1.83198
 31 Pt   -0.00000    0.01929    0.51093
 32 Pt    0.00000   -0.14039    0.57781
 33 O    -1.61403   -0.01909    0.07117
 34 O     1.61403   -0.01909    0.07117
 35 O     0.00000   -0.03238   -0.52491
 36 O    -0.00000    0.22402   -0.11700
 37 Pt    0.00000   -0.33708   -0.04176
 38 Pt    0.00000   -0.00433   -0.00987
 39 O     0.00978    0.01149    0.01634
 40 O    -0.00978    0.01149    0.01634
 41 O     0.00000   -0.00396    0.02761
 42 O    -0.00000    0.03377   -0.01823
 43 Pt    0.00000   -0.01082    0.07616
 44 Pt    0.00000   -0.08064   -0.01309
 45 O    -0.18119   -0.40409    0.13963
 46 O     0.18119   -0.40409    0.13963
 47 O     0.00000   -0.02134   -0.06054
 48 O    -0.00000    0.02231    1.17155
 49 Pt    0.00000   -0.02244   -0.37729
 50 Pt   -0.00000    0.02109   -0.43693
 51 O    -1.69133   -0.01397   -0.71822
 52 O     1.69133   -0.01397   -0.71822
 53 O     0.00000   -0.01079   -1.40512
 54 O     0.00000   -0.00207    1.77433
 55 Pt    0.00000   -0.01228    0.51676
 56 Pt   -0.00000    0.12088    0.65338
 57 O    -1.61393    0.01384    0.09170
 58 O     1.61393    0.01384    0.09170
 59 O     0.00000   -0.02125   -0.51653
 60 O     0.00000   -0.21673   -0.11587
 61 Pt   -0.00000    0.01948   -0.09636
 62 Pt   -0.00000    0.01728   -0.00567
 63 O    -0.01527   -0.00752    0.00361
 64 O     0.01527   -0.00752    0.00361
 65 O     0.00000    0.00106    0.00311
 66 O     0.00000   -0.01450   -0.00447
 67 Pt   -0.00000    0.00871    0.02574
 68 Pt   -0.00000    0.15012    0.02467
 69 O    -0.00886    0.00348   -0.03287
 70 O     0.00886    0.00348   -0.03287
 71 O    -0.00000    0.00848   -0.05355
 72 N     0.00000   -0.19641    0.22825
 73 N    -0.00000    0.19104    0.20690

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    3.667841   24.138495    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.564515   24.056663    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:01:42  -2.76   +inf  -414.153285    3      1      
iter:   2  14:03:44  -3.62  -3.50  -414.175090    3      1      
iter:   3  14:05:46  -4.11  -3.04  -414.161136    3      1      
iter:   4  14:07:49  -4.55  -3.38  -414.156984    3      1      
iter:   5  14:09:51  -4.65  -3.73  -414.156244    3      1      
iter:   6  14:11:56  -4.60  -3.80  -414.156141    3      1      
iter:   7  14:14:02  -5.19  -4.23  -414.156097    2      1      
iter:   8  14:16:05  -5.44  -4.30  -414.156390    2      1      
iter:   9  14:18:05  -5.86  -4.20  -414.155836    2      1      
iter:  10  14:20:07  -6.46  -4.51  -414.156427    2      1      
iter:  11  14:22:08  -6.98  -4.50  -414.156091    2      1      
iter:  12  14:24:10  -7.05  -4.77  -414.156061    2      1      
iter:  13  14:26:04  -7.09  -4.75  -414.156096    2      1      
iter:  14  14:27:58  -7.44  -5.04  -414.156093    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962913, -32.517126, 0.018904) |e|*Ang

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

Kinetic:        +18.549969
Potential:     -137.281232
External:        +0.000000
XC:            -305.136417
Entropy (-ST):   -1.566112
Local:          +10.494643
--------------------------
Free energy:   -414.939150
Extrapolated:  -414.156093

Fermi level: -6.51883

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58658    0.14737
  0   340     -6.57287    0.14042
  0   341     -6.57189    0.13991
  0   342     -6.54224    0.12405

  1   339     -6.49326    0.19396
  1   340     -6.44486    0.14359
  1   341     -6.41147    0.11321
  1   342     -6.40321    0.10638



Forces in eV/Ang:
  0 O     0.00000   -0.01735    1.17385
  1 Pt    0.00000   -0.00288   -0.37473
  2 Pt    0.00000   -0.01903   -0.43446
  3 O    -1.68384    0.00025   -0.71882
  4 O     1.68384    0.00025   -0.71882
  5 O     0.00000   -0.01197   -1.38540
  6 O     0.00000   -0.00281    1.76435
  7 Pt   -0.00000    0.01411    0.45010
  8 Pt    0.00000   -0.03927    0.75007
  9 O    -1.58115    0.00079    0.05121
 10 O     1.58115    0.00079    0.05121
 11 O     0.00000   -0.00893   -0.56652
 12 O    -0.00000    0.01132    0.14159
 13 Pt   -0.00000    0.29759   -0.03987
 14 Pt    0.00000   -0.01955    0.00786
 15 O    -0.00111    0.01037    0.00319
 16 O     0.00111    0.01037    0.00319
 17 O    -0.00000    0.01754   -1.12222
 18 O    -0.00000    0.00282    0.02644
 19 Pt    0.00000   -0.02203    0.13770
 20 Pt    0.00000   -0.05023    0.17874
 21 O    -0.21564    0.39524    0.23154
 22 O     0.21564    0.39524    0.23154
 23 O     0.00000   -0.01791   -0.08811
 24 O     0.00000   -0.00101    1.14975
 25 Pt   -0.00000    0.01721   -0.37797
 26 Pt    0.00000   -0.00010   -0.43533
 27 O    -1.69247    0.01337   -0.71809
 28 O     1.69247    0.01337   -0.71809
 29 O    -0.00000    0.04548   -1.38784
 30 O     0.00000   -0.00437    1.83011
 31 Pt   -0.00000    0.01923    0.50990
 32 Pt    0.00000   -0.14014    0.57772
 33 O    -1.61442   -0.01921    0.07026
 34 O     1.61442   -0.01921    0.07026
 35 O     0.00000   -0.03237   -0.52556
 36 O    -0.00000    0.22496   -0.11827
 37 Pt    0.00000   -0.33959   -0.04462
 38 Pt    0.00000   -0.00419   -0.01178
 39 O     0.00937    0.01145    0.01531
 40 O    -0.00937    0.01145    0.01531
 41 O     0.00000   -0.00308    0.02382
 42 O    -0.00000    0.03421   -0.01815
 43 Pt    0.00000   -0.01052    0.07880
 44 Pt    0.00000   -0.08142   -0.01249
 45 O    -0.18460   -0.40730    0.14809
 46 O     0.18460   -0.40730    0.14809
 47 O     0.00000   -0.02131   -0.06009
 48 O    -0.00000    0.02226    1.17177
 49 Pt    0.00000   -0.02243   -0.37698
 50 Pt   -0.00000    0.02104   -0.43644
 51 O    -1.69177   -0.01394   -0.71827
 52 O     1.69177   -0.01394   -0.71827
 53 O     0.00000   -0.01069   -1.40515
 54 O     0.00000   -0.00207    1.77209
 55 Pt    0.00000   -0.01243    0.51556
 56 Pt   -0.00000    0.12066    0.65295
 57 O    -1.61427    0.01372    0.09082
 58 O     1.61427    0.01372    0.09082
 59 O     0.00000   -0.02126   -0.51730
 60 O     0.00000   -0.21793   -0.11640
 61 Pt   -0.00000    0.02008   -0.09921
 62 Pt   -0.00000    0.01709   -0.00680
 63 O    -0.01546   -0.00757    0.00285
 64 O     0.01546   -0.00757    0.00285
 65 O     0.00000    0.00102   -0.00226
 66 O     0.00000   -0.01481   -0.00433
 67 Pt   -0.00000    0.00900    0.02490
 68 Pt   -0.00000    0.14961    0.02459
 69 O    -0.00800    0.00338   -0.03257
 70 O     0.00800    0.00338   -0.03257
 71 O    -0.00000    0.00830   -0.05333
 72 N     0.00000   -0.16594    0.21699
 73 N    -0.00000    0.18132    0.17840

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     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    3.671067   24.148587    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.566171   24.084959    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:44:06  -2.78   +inf  -414.184650    3      1      
iter:   2  14:46:12  -3.32  -2.92  -414.802689    3      1      
iter:   3  14:48:18  -3.69  -2.20  -414.163731    3      1      
iter:   4  14:50:23  -4.38  -3.74  -414.163963    2      1      
iter:   5  14:52:28  -4.63  -3.88  -414.160475    3      1      
iter:   6  14:54:34  -4.63  -3.73  -414.161493    2      1      
iter:   7  14:56:40  -4.95  -3.93  -414.161963    3      1      
iter:   8  14:58:45  -5.48  -4.40  -414.161988    2      1      
iter:   9  15:00:49  -6.07  -3.96  -414.162020    2      1      
iter:  10  15:02:52  -6.27  -4.29  -414.162294    2      1      
iter:  11  15:04:56  -6.38  -4.42  -414.161662    2      1      
iter:  12  15:06:59  -6.69  -4.52  -414.162057    2      1      
iter:  13  15:08:52  -6.78  -4.68  -414.161987    2      1      
iter:  14  15:10:45  -6.84  -5.01  -414.162053    2      1      
iter:  15  15:12:38  -7.49  -4.58  -414.161985    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962899, -32.514322, 0.017800) |e|*Ang

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

Kinetic:        +18.453690
Potential:     -137.220598
External:        +0.000000
XC:            -305.107138
Entropy (-ST):   -1.566081
Local:          +10.495101
--------------------------
Free energy:   -414.945026
Extrapolated:  -414.161985

Fermi level: -6.52050

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58834    0.14742
  0   340     -6.57416    0.14023
  0   341     -6.57313    0.13969
  0   342     -6.54411    0.12417

  1   339     -6.49460    0.19361
  1   340     -6.44629    0.14336
  1   341     -6.41302    0.11311
  1   342     -6.40534    0.10676



Forces in eV/Ang:
  0 O     0.00000   -0.01741    1.17457
  1 Pt    0.00000   -0.00283   -0.37554
  2 Pt    0.00000   -0.01906   -0.43457
  3 O    -1.68641    0.00024   -0.71839
  4 O     1.68641    0.00024   -0.71839
  5 O     0.00000   -0.01192   -1.38441
  6 O     0.00000   -0.00268    1.75593
  7 Pt   -0.00000    0.01396    0.44773
  8 Pt    0.00000   -0.03925    0.74824
  9 O    -1.58110    0.00074    0.05062
 10 O     1.58110    0.00074    0.05062
 11 O     0.00000   -0.00892   -0.56677
 12 O    -0.00000    0.01085    0.14188
 13 Pt   -0.00000    0.30020   -0.04083
 14 Pt    0.00000   -0.01991    0.00689
 15 O    -0.00049    0.01029    0.00267
 16 O     0.00049    0.01029    0.00267
 17 O    -0.00000    0.01810   -1.13446
 18 O    -0.00000    0.00291    0.02723
 19 Pt    0.00000   -0.02189    0.13765
 20 Pt    0.00000   -0.05091    0.18213
 21 O    -0.21591    0.39638    0.23089
 22 O     0.21591    0.39638    0.23089
 23 O     0.00000   -0.01768   -0.08870
 24 O     0.00000   -0.00097    1.15045
 25 Pt   -0.00000    0.01724   -0.37867
 26 Pt    0.00000   -0.00005   -0.43553
 27 O    -1.69499    0.01337   -0.71764
 28 O     1.69499    0.01337   -0.71764
 29 O    -0.00000    0.04532   -1.38698
 30 O     0.00000   -0.00459    1.82170
 31 Pt   -0.00000    0.01931    0.50730
 32 Pt    0.00000   -0.13989    0.57630
 33 O    -1.61444   -0.01915    0.06958
 34 O     1.61444   -0.01915    0.06958
 35 O     0.00000   -0.03237   -0.52573
 36 O    -0.00000    0.22676   -0.11905
 37 Pt    0.00000   -0.34205   -0.04511
 38 Pt    0.00000   -0.00372   -0.01292
 39 O     0.01037    0.01149    0.01490
 40 O    -0.01037    0.01149    0.01490
 41 O     0.00000   -0.00280    0.02108
 42 O    -0.00000    0.03425   -0.01741
 43 Pt    0.00000   -0.01026    0.08118
 44 Pt    0.00000   -0.08345   -0.01128
 45 O    -0.18801   -0.40983    0.15708
 46 O     0.18801   -0.40983    0.15708
 47 O     0.00000   -0.02170   -0.06156
 48 O    -0.00000    0.02227    1.17245
 49 Pt    0.00000   -0.02251   -0.37781
 50 Pt   -0.00000    0.02103   -0.43674
 51 O    -1.69438   -0.01393   -0.71785
 52 O     1.69438   -0.01393   -0.71785
 53 O     0.00000   -0.01059   -1.40437
 54 O     0.00000   -0.00200    1.76361
 55 Pt    0.00000   -0.01236    0.51329
 56 Pt   -0.00000    0.12040    0.65184
 57 O    -1.61427    0.01370    0.09020
 58 O     1.61427    0.01370    0.09020
 59 O     0.00000   -0.02127   -0.51702
 60 O     0.00000   -0.21921   -0.11749
 61 Pt   -0.00000    0.01977   -0.10071
 62 Pt   -0.00000    0.01697   -0.00851
 63 O    -0.01505   -0.00751    0.00234
 64 O     0.01505   -0.00751    0.00234
 65 O     0.00000    0.00123   -0.00751
 66 O     0.00000   -0.01493   -0.00373
 67 Pt   -0.00000    0.00877    0.02364
 68 Pt   -0.00000    0.14963    0.02247
 69 O    -0.00767    0.00313   -0.03418
 70 O     0.00767    0.00313   -0.03418
 71 O    -0.00000    0.00843   -0.05444
 72 N     0.00000   -0.21220    0.24901
 73 N    -0.00000    0.16317    0.12038

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     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    3.673916   24.160865    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.568278   24.114384    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:26:09  -2.70   +inf  -414.480393    3      1      
iter:   2  15:28:13  -2.42  -2.36  -421.850103    4      1      
iter:   3  15:30:19  -2.83  -1.72  -414.248965    4      1      
iter:   4  15:32:24  -3.28  -2.66  -414.178792    3      1      
iter:   5  15:34:29  -3.90  -3.37  -414.171474    3      1      
iter:   6  15:36:34  -4.34  -3.50  -414.169751    3      1      
iter:   7  15:38:39  -4.58  -3.53  -414.168615    2      1      
iter:   8  15:40:44  -4.87  -3.97  -414.169459    3      1      
iter:   9  15:42:50  -5.18  -3.88  -414.168351    2      1      
iter:  10  15:44:56  -5.53  -4.10  -414.168572    2      1      
iter:  11  15:47:02  -6.07  -4.34  -414.167775    3      1      
iter:  12  15:49:06  -6.49  -4.24  -414.168559    2      1      
iter:  13  15:51:11  -6.67  -4.43  -414.168280    2      1      
iter:  14  15:53:04  -6.68  -4.63  -414.168229    2      1      
iter:  15  15:54:57  -7.15  -4.50  -414.168296    2      1      
iter:  16  15:56:50  -7.44  -4.81  -414.168283    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962830, -32.511943, 0.014859) |e|*Ang

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

Kinetic:        +18.493230
Potential:     -137.280478
External:        +0.000000
XC:            -305.093585
Entropy (-ST):   -1.566172
Local:          +10.495635
--------------------------
Free energy:   -414.951369
Extrapolated:  -414.168283

Fermi level: -6.52243

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58956    0.14707
  0   340     -6.57630    0.14033
  0   341     -6.57533    0.13983
  0   342     -6.54604    0.12417

  1   339     -6.49669    0.19378
  1   340     -6.44839    0.14352
  1   341     -6.41493    0.11309
  1   342     -6.40763    0.10705



Forces in eV/Ang:
  0 O     0.00000   -0.01736    1.17450
  1 Pt    0.00000   -0.00289   -0.37583
  2 Pt    0.00000   -0.01903   -0.43467
  3 O    -1.68449    0.00027   -0.71861
  4 O     1.68449    0.00027   -0.71861
  5 O     0.00000   -0.01188   -1.38531
  6 O     0.00000   -0.00263    1.76147
  7 Pt   -0.00000    0.01378    0.44931
  8 Pt    0.00000   -0.03937    0.75037
  9 O    -1.58088    0.00058    0.05057
 10 O     1.58088    0.00058    0.05057
 11 O     0.00000   -0.00891   -0.56694
 12 O    -0.00000    0.01096    0.14099
 13 Pt   -0.00000    0.30165   -0.03974
 14 Pt    0.00000   -0.01993    0.00762
 15 O    -0.00065    0.01027    0.00243
 16 O     0.00065    0.01027    0.00243
 17 O    -0.00000    0.01851   -1.13833
 18 O    -0.00000    0.00270    0.02723
 19 Pt    0.00000   -0.02141    0.13923
 20 Pt    0.00000   -0.05389    0.18111
 21 O    -0.21635    0.39786    0.23260
 22 O     0.21635    0.39786    0.23260
 23 O     0.00000   -0.01777   -0.08926
 24 O     0.00000   -0.00102    1.15038
 25 Pt   -0.00000    0.01731   -0.37896
 26 Pt    0.00000   -0.00013   -0.43556
 27 O    -1.69309    0.01335   -0.71787
 28 O     1.69309    0.01335   -0.71787
 29 O    -0.00000    0.04517   -1.38788
 30 O     0.00000   -0.00462    1.82753
 31 Pt   -0.00000    0.01941    0.50886
 32 Pt    0.00000   -0.13948    0.57864
 33 O    -1.61415   -0.01911    0.06956
 34 O     1.61415   -0.01911    0.06956
 35 O     0.00000   -0.03240   -0.52588
 36 O    -0.00000    0.22706   -0.12027
 37 Pt    0.00000   -0.34380   -0.04441
 38 Pt    0.00000   -0.00389   -0.01255
 39 O     0.01033    0.01156    0.01472
 40 O    -0.01033    0.01156    0.01472
 41 O     0.00000   -0.00261    0.02687
 42 O    -0.00000    0.03438   -0.01767
 43 Pt    0.00000   -0.01028    0.08444
 44 Pt    0.00000   -0.08286   -0.01202
 45 O    -0.19053   -0.41239    0.16464
 46 O     0.19053   -0.41239    0.16464
 47 O     0.00000   -0.02181   -0.06220
 48 O    -0.00000    0.02228    1.17236
 49 Pt    0.00000   -0.02252   -0.37804
 50 Pt   -0.00000    0.02107   -0.43675
 51 O    -1.69243   -0.01394   -0.71806
 52 O     1.69243   -0.01394   -0.71806
 53 O     0.00000   -0.01049   -1.40512
 54 O     0.00000   -0.00201    1.76976
 55 Pt    0.00000   -0.01227    0.51487
 56 Pt   -0.00000    0.12013    0.65392
 57 O    -1.61410    0.01382    0.09008
 58 O     1.61410    0.01382    0.09008
 59 O     0.00000   -0.02126   -0.51707
 60 O     0.00000   -0.21961   -0.11861
 61 Pt   -0.00000    0.01997   -0.09985
 62 Pt   -0.00000    0.01716   -0.00846
 63 O    -0.01530   -0.00756    0.00208
 64 O     0.01530   -0.00756    0.00208
 65 O     0.00000    0.00149   -0.00201
 66 O     0.00000   -0.01484   -0.00404
 67 Pt   -0.00000    0.00848    0.02486
 68 Pt   -0.00000    0.14959    0.02370
 69 O    -0.00836    0.00286   -0.03299
 70 O     0.00836    0.00286   -0.03299
 71 O    -0.00000    0.00863   -0.05468
 72 N     0.00000   -0.24662    0.18909
 73 N    -0.00000    0.24280    0.17728

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     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    3.675645   24.173987    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.570820   24.145375    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:08:20  -2.67   +inf  -414.270250    3      1      
iter:   2  16:10:26  -2.87  -2.62  -416.716255    3      1      
iter:   3  16:12:32  -3.23  -1.92  -414.179804    3      1      
iter:   4  16:14:37  -3.88  -3.23  -414.180805    3      1      
iter:   5  16:16:42  -4.42  -3.58  -414.176685    3      1      
iter:   6  16:18:47  -4.59  -3.72  -414.174625    2      1      
iter:   7  16:20:51  -4.69  -3.85  -414.174387    3      1      
iter:   8  16:22:56  -4.95  -3.88  -414.175097    3      1      
iter:   9  16:25:00  -5.64  -4.17  -414.175108    2      1      
iter:  10  16:27:05  -6.16  -4.48  -414.174947    2      1      
iter:  11  16:29:11  -6.44  -4.48  -414.175463    2      1      
iter:  12  16:31:17  -6.70  -4.43  -414.174922    2      1      
iter:  13  16:33:10  -6.85  -4.54  -414.175099    2      1      
iter:  14  16:35:03  -7.04  -4.87  -414.175119    2      1      
iter:  15  16:36:56  -7.27  -4.53  -414.175000    2      1      
iter:  16  16:38:49  -7.40  -4.42  -414.175025    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963051, -32.509860, 0.012810) |e|*Ang

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

Kinetic:        +18.598682
Potential:     -137.365484
External:        +0.000000
XC:            -305.120497
Entropy (-ST):   -1.566155
Local:          +10.495351
--------------------------
Free energy:   -414.958102
Extrapolated:  -414.175025

Fermi level: -6.52354

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58999    0.14672
  0   340     -6.57772    0.14049
  0   341     -6.57684    0.14004
  0   342     -6.54727    0.12423

  1   339     -6.49793    0.19392
  1   340     -6.44970    0.14371
  1   341     -6.41612    0.11315
  1   342     -6.40917    0.10739



Forces in eV/Ang:
  0 O     0.00000   -0.01741    1.17393
  1 Pt    0.00000   -0.00293   -0.37460
  2 Pt    0.00000   -0.01901   -0.43364
  3 O    -1.68303    0.00028   -0.71863
  4 O     1.68303    0.00028   -0.71863
  5 O     0.00000   -0.01184   -1.38582
  6 O     0.00000   -0.00270    1.76790
  7 Pt   -0.00000    0.01377    0.45092
  8 Pt    0.00000   -0.03951    0.75098
  9 O    -1.58095    0.00052    0.05083
 10 O     1.58095    0.00052    0.05083
 11 O     0.00000   -0.00892   -0.56675
 12 O    -0.00000    0.01122    0.14134
 13 Pt   -0.00000    0.30345   -0.03814
 14 Pt    0.00000   -0.01990    0.00943
 15 O    -0.00088    0.01035    0.00264
 16 O     0.00088    0.01035    0.00264
 17 O    -0.00000    0.01861   -1.14135
 18 O    -0.00000    0.00243    0.02572
 19 Pt    0.00000   -0.02174    0.14189
 20 Pt    0.00000   -0.05619    0.18501
 21 O    -0.21766    0.39917    0.23462
 22 O     0.21766    0.39917    0.23462
 23 O     0.00000   -0.01707   -0.08750
 24 O     0.00000   -0.00103    1.14982
 25 Pt   -0.00000    0.01737   -0.37775
 26 Pt    0.00000   -0.00016   -0.43451
 27 O    -1.69165    0.01334   -0.71790
 28 O     1.69165    0.01334   -0.71790
 29 O    -0.00000    0.04508   -1.38835
 30 O     0.00000   -0.00454    1.83406
 31 Pt   -0.00000    0.01941    0.51057
 32 Pt    0.00000   -0.13909    0.57948
 33 O    -1.61414   -0.01907    0.06987
 34 O     1.61414   -0.01907    0.06987
 35 O     0.00000   -0.03244   -0.52585
 36 O    -0.00000    0.22751   -0.12048
 37 Pt    0.00000   -0.34598   -0.04351
 38 Pt    0.00000   -0.00400   -0.01051
 39 O     0.01012    0.01156    0.01484
 40 O    -0.01012    0.01156    0.01484
 41 O     0.00000   -0.00185    0.03092
 42 O    -0.00000    0.03481   -0.01923
 43 Pt    0.00000   -0.00976    0.09016
 44 Pt    0.00000   -0.08352   -0.00868
 45 O    -0.19444   -0.41468    0.17258
 46 O     0.19444   -0.41468    0.17258
 47 O     0.00000   -0.02259   -0.06101
 48 O    -0.00000    0.02234    1.17181
 49 Pt    0.00000   -0.02253   -0.37679
 50 Pt   -0.00000    0.02108   -0.43569
 51 O    -1.69095   -0.01395   -0.71807
 52 O     1.69095   -0.01395   -0.71807
 53 O     0.00000   -0.01045   -1.40542
 54 O     0.00000   -0.00201    1.77644
 55 Pt    0.00000   -0.01226    0.51645
 56 Pt   -0.00000    0.11988    0.65447
 57 O    -1.61423    0.01384    0.09027
 58 O     1.61423    0.01384    0.09027
 59 O     0.00000   -0.02121   -0.51719
 60 O     0.00000   -0.22030   -0.11849
 61 Pt   -0.00000    0.02026   -0.09919
 62 Pt   -0.00000    0.01724   -0.00607
 63 O    -0.01548   -0.00764    0.00233
 64 O     0.01548   -0.00764    0.00233
 65 O     0.00000    0.00140    0.00230
 66 O     0.00000   -0.01495   -0.00562
 67 Pt   -0.00000    0.00843    0.02693
 68 Pt   -0.00000    0.15033    0.02740
 69 O    -0.00865    0.00260   -0.03049
 70 O     0.00865    0.00260   -0.03049
 71 O    -0.00000    0.00877   -0.05368
 72 N     0.00000   -0.08117    0.24642
 73 N    -0.00000    0.06563    0.09018

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  Pt            
          O Pt   O     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    3.678695   24.189364    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.572385   24.175596    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:57:51  -2.68   +inf  -414.201009    3      1      
iter:   2  16:59:57  -3.30  -2.92  -414.833294    3      1      
iter:   3  17:01:59  -3.65  -2.20  -414.189010    2      1      
iter:   4  17:04:00  -4.27  -3.45  -414.185146    3      1      
iter:   5  17:06:00  -4.51  -3.86  -414.187004    3      1      
iter:   6  17:08:02  -4.57  -3.66  -414.183434    3      1      
iter:   7  17:10:04  -4.80  -4.08  -414.183842    2      1      
iter:   8  17:12:05  -5.42  -4.22  -414.184032    2      1      
iter:   9  17:14:09  -5.87  -4.39  -414.183731    2      1      
iter:  10  17:16:10  -6.52  -3.89  -414.184297    2      1      
iter:  11  17:18:13  -6.63  -4.44  -414.183833    2      1      
iter:  12  17:20:15  -6.72  -4.47  -414.184167    2      1      
iter:  13  17:22:12  -6.93  -4.61  -414.184173    2      1      
iter:  14  17:24:05  -6.97  -4.60  -414.184159    1      1      
iter:  15  17:25:59  -7.09  -4.70  -414.184104    2      1      
iter:  16  17:27:53  -7.23  -4.80  -414.183985    2      1      
iter:  17  17:29:46  -8.20  -4.99  -414.184100    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963035, -32.507681, 0.010824) |e|*Ang

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

Kinetic:        +18.430503
Potential:     -137.254727
External:        +0.000000
XC:            -305.068639
Entropy (-ST):   -1.566083
Local:          +10.491804
--------------------------
Free energy:   -414.967141
Extrapolated:  -414.184100

Fermi level: -6.52548

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59175    0.14664
  0   340     -6.57956    0.14045
  0   341     -6.57870    0.14000
  0   342     -6.54938    0.12433

  1   339     -6.49973    0.19377
  1   340     -6.45159    0.14367
  1   341     -6.41802    0.11313
  1   342     -6.41148    0.10770



Forces in eV/Ang:
  0 O     0.00000   -0.01742    1.17396
  1 Pt    0.00000   -0.00296   -0.37512
  2 Pt    0.00000   -0.01902   -0.43459
  3 O    -1.68333    0.00027   -0.71853
  4 O     1.68333    0.00027   -0.71853
  5 O     0.00000   -0.01178   -1.38555
  6 O     0.00000   -0.00270    1.76633
  7 Pt   -0.00000    0.01383    0.45183
  8 Pt    0.00000   -0.03957    0.75157
  9 O    -1.58070    0.00057    0.05247
 10 O     1.58070    0.00057    0.05247
 11 O     0.00000   -0.00887   -0.56588
 12 O    -0.00000    0.01119    0.14228
 13 Pt   -0.00000    0.30484   -0.03658
 14 Pt    0.00000   -0.01987    0.01014
 15 O    -0.00089    0.01048    0.00462
 16 O     0.00089    0.01048    0.00462
 17 O    -0.00000    0.01867   -1.14635
 18 O    -0.00000    0.00252    0.02700
 19 Pt    0.00000   -0.02171    0.14051
 20 Pt    0.00000   -0.05648    0.18361
 21 O    -0.21809    0.40037    0.23345
 22 O     0.21809    0.40037    0.23345
 23 O     0.00000   -0.01788   -0.08979
 24 O     0.00000   -0.00102    1.14984
 25 Pt   -0.00000    0.01741   -0.37821
 26 Pt    0.00000   -0.00015   -0.43550
 27 O    -1.69193    0.01336   -0.71779
 28 O     1.69193    0.01336   -0.71779
 29 O    -0.00000    0.04496   -1.38824
 30 O     0.00000   -0.00452    1.83243
 31 Pt   -0.00000    0.01939    0.51155
 32 Pt    0.00000   -0.13883    0.58039
 33 O    -1.61386   -0.01910    0.07148
 34 O     1.61386   -0.01910    0.07148
 35 O     0.00000   -0.03244   -0.52505
 36 O    -0.00000    0.22838   -0.12006
 37 Pt    0.00000   -0.34752   -0.04210
 38 Pt    0.00000   -0.00401   -0.00990
 39 O     0.01009    0.01149    0.01698
 40 O    -0.01009    0.01149    0.01698
 41 O     0.00000   -0.00142    0.03217
 42 O    -0.00000    0.03519   -0.01822
 43 Pt    0.00000   -0.00977    0.08982
 44 Pt    0.00000   -0.08354   -0.01138
 45 O    -0.19719   -0.41691    0.17736
 46 O     0.19719   -0.41691    0.17736
 47 O     0.00000   -0.02167   -0.06384
 48 O    -0.00000    0.02233    1.17184
 49 Pt    0.00000   -0.02255   -0.37730
 50 Pt   -0.00000    0.02108   -0.43673
 51 O    -1.69125   -0.01395   -0.71796
 52 O     1.69125   -0.01395   -0.71796
 53 O     0.00000   -0.01038   -1.40527
 54 O     0.00000   -0.00203    1.77479
 55 Pt    0.00000   -0.01229    0.51736
 56 Pt   -0.00000    0.11968    0.65527
 57 O    -1.61399    0.01382    0.09189
 58 O     1.61399    0.01382    0.09189
 59 O     0.00000   -0.02126   -0.51634
 60 O     0.00000   -0.22115   -0.11780
 61 Pt   -0.00000    0.02040   -0.09782
 62 Pt   -0.00000    0.01723   -0.00537
 63 O    -0.01539   -0.00770    0.00435
 64 O     0.01539   -0.00770    0.00435
 65 O     0.00000    0.00142    0.00294
 66 O     0.00000   -0.01538   -0.00467
 67 Pt   -0.00000    0.00853    0.02488
 68 Pt   -0.00000    0.14942    0.02325
 69 O    -0.00917    0.00264   -0.03269
 70 O     0.00917    0.00264   -0.03269
 71 O    -0.00000    0.00862   -0.05608
 72 N     0.00000   -0.18625    0.23321
 73 N    -0.00000    0.20371    0.15181

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.680644   24.205397    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.574449   24.206913    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:42:11  -2.68   +inf  -414.191192    3      1      
iter:   2  17:44:14  -3.60  -3.64  -414.206031    3      1      
iter:   3  17:46:15  -4.15  -3.08  -414.194814    3      1      
iter:   4  17:48:17  -4.62  -3.75  -414.192651    3      1      
iter:   5  17:50:18  -4.65  -3.73  -414.192937    3      1      
iter:   6  17:52:20  -4.61  -3.76  -414.192116    3      1      
iter:   7  17:54:21  -5.19  -4.11  -414.192226    2      1      
iter:   8  17:56:23  -5.39  -4.51  -414.192485    2      1      
iter:   9  17:58:25  -5.99  -4.23  -414.191833    2      1      
iter:  10  18:00:25  -6.31  -4.20  -414.192360    2      1      
iter:  11  18:02:28  -6.94  -4.60  -414.192063    2      1      
iter:  12  18:04:31  -7.03  -4.44  -414.192233    2      1      
iter:  13  18:06:32  -7.14  -4.68  -414.192175    2      1      
iter:  14  18:08:33  -7.28  -4.99  -414.192164    2      1      
iter:  15  18:10:29  -7.54  -4.91  -414.192249    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963105, -32.505438, 0.007349) |e|*Ang

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

Kinetic:        +18.384403
Potential:     -137.226082
External:        +0.000000
XC:            -305.056483
Entropy (-ST):   -1.566117
Local:          +10.488971
--------------------------
Free energy:   -414.975308
Extrapolated:  -414.192249

Fermi level: -6.52831

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59427    0.14648
  0   340     -6.58239    0.14044
  0   341     -6.58156    0.14001
  0   342     -6.55239    0.12443

  1   339     -6.50255    0.19376
  1   340     -6.45443    0.14368
  1   341     -6.42085    0.11313
  1   342     -6.41467    0.10799



Forces in eV/Ang:
  0 O     0.00000   -0.01740    1.17395
  1 Pt    0.00000   -0.00296   -0.37552
  2 Pt    0.00000   -0.01900   -0.43460
  3 O    -1.68319    0.00030   -0.71877
  4 O     1.68319    0.00030   -0.71877
  5 O     0.00000   -0.01179   -1.38599
  6 O     0.00000   -0.00278    1.76655
  7 Pt   -0.00000    0.01381    0.45130
  8 Pt    0.00000   -0.03974    0.75178
  9 O    -1.58069    0.00052    0.05145
 10 O     1.58069    0.00052    0.05145
 11 O     0.00000   -0.00890   -0.56644
 12 O    -0.00000    0.01127    0.14133
 13 Pt   -0.00000    0.30610   -0.03756
 14 Pt    0.00000   -0.01984    0.00941
 15 O    -0.00070    0.01062    0.00342
 16 O     0.00070    0.01062    0.00342
 17 O    -0.00000    0.01863   -1.15227
 18 O    -0.00000    0.00225    0.02685
 19 Pt    0.00000   -0.02120    0.14286
 20 Pt    0.00000   -0.05687    0.18707
 21 O    -0.21808    0.40159    0.23557
 22 O     0.21808    0.40159    0.23557
 23 O     0.00000   -0.01705   -0.08828
 24 O     0.00000   -0.00102    1.14983
 25 Pt   -0.00000    0.01744   -0.37864
 26 Pt    0.00000   -0.00017   -0.43549
 27 O    -1.69181    0.01334   -0.71806
 28 O     1.69181    0.01334   -0.71806
 29 O    -0.00000    0.04491   -1.38872
 30 O     0.00000   -0.00436    1.83277
 31 Pt   -0.00000    0.01939    0.51112
 32 Pt    0.00000   -0.13842    0.58080
 33 O    -1.61378   -0.01909    0.07050
 34 O     1.61378   -0.01909    0.07050
 35 O     0.00000   -0.03240   -0.52567
 36 O    -0.00000    0.22890   -0.12143
 37 Pt    0.00000   -0.34885   -0.04373
 38 Pt    0.00000   -0.00416   -0.01065
 39 O     0.01022    0.01143    0.01572
 40 O    -0.01022    0.01143    0.01572
 41 O     0.00000   -0.00103    0.03300
 42 O    -0.00000    0.03576   -0.01869
 43 Pt    0.00000   -0.00987    0.09571
 44 Pt    0.00000   -0.08417   -0.00629
 45 O    -0.20068   -0.41877    0.18889
 46 O     0.20068   -0.41877    0.18889
 47 O     0.00000   -0.02249   -0.06270
 48 O    -0.00000    0.02232    1.17182
 49 Pt    0.00000   -0.02257   -0.37767
 50 Pt   -0.00000    0.02108   -0.43669
 51 O    -1.69111   -0.01395   -0.71819
 52 O     1.69111   -0.01395   -0.71819
 53 O     0.00000   -0.01033   -1.40553
 54 O     0.00000   -0.00211    1.77532
 55 Pt    0.00000   -0.01227    0.51674
 56 Pt   -0.00000    0.11944    0.65540
 57 O    -1.61401    0.01386    0.09083
 58 O     1.61401    0.01386    0.09083
 59 O     0.00000   -0.02127   -0.51707
 60 O     0.00000   -0.22176   -0.11884
 61 Pt   -0.00000    0.02046   -0.09903
 62 Pt   -0.00000    0.01734   -0.00597
 63 O    -0.01511   -0.00777    0.00311
 64 O     0.01511   -0.00777    0.00311
 65 O     0.00000    0.00148    0.00372
 66 O     0.00000   -0.01560   -0.00525
 67 Pt   -0.00000    0.00820    0.02669
 68 Pt   -0.00000    0.14920    0.02622
 69 O    -0.00917    0.00220   -0.03123
 70 O     0.00917    0.00220   -0.03123
 71 O    -0.00000    0.00868   -0.05516
 72 N     0.00000   -0.15029    0.29705
 73 N    -0.00000    0.12772    0.14238

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.682764   24.223180    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.576189   24.238939    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:29:09  -2.64   +inf  -414.203378    3      1      
iter:   2  18:31:12  -3.46  -3.13  -414.437416    3      1      
iter:   3  18:33:14  -3.92  -2.42  -414.203679    3      1      
iter:   4  18:35:14  -4.48  -3.64  -414.200313    3      1      
iter:   5  18:37:15  -4.72  -3.72  -414.200243    2      1      
iter:   6  18:39:16  -4.54  -3.81  -414.199516    3      1      
iter:   7  18:41:17  -5.09  -4.29  -414.199273    2      1      
iter:   8  18:43:18  -5.48  -4.28  -414.199431    2      1      
iter:   9  18:45:20  -5.78  -4.40  -414.199206    2      1      
iter:  10  18:47:24  -6.32  -4.55  -414.199518    2      1      
iter:  11  18:49:27  -6.79  -4.58  -414.199223    2      1      
iter:  12  18:51:30  -6.94  -4.47  -414.199369    2      1      
iter:  13  18:53:32  -7.04  -4.57  -414.199471    2      1      
iter:  14  18:55:33  -7.41  -4.88  -414.199363    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963119, -32.504037, 0.007104) |e|*Ang

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

Kinetic:        +18.278300
Potential:     -137.159572
External:        +0.000000
XC:            -305.024065
Entropy (-ST):   -1.566267
Local:          +10.489108
--------------------------
Free energy:   -414.982497
Extrapolated:  -414.199363

Fermi level: -6.52862

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59457    0.14648
  0   340     -6.58257    0.14038
  0   341     -6.58176    0.13996
  0   342     -6.55301    0.12459

  1   339     -6.50283    0.19372
  1   340     -6.45463    0.14356
  1   341     -6.42120    0.11316
  1   342     -6.41540    0.10834



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17398
  1 Pt    0.00000   -0.00304   -0.37537
  2 Pt    0.00000   -0.01911   -0.43461
  3 O    -1.68341    0.00020   -0.71883
  4 O     1.68341    0.00020   -0.71883
  5 O     0.00000   -0.01174   -1.38595
  6 O     0.00000   -0.00277    1.76594
  7 Pt   -0.00000    0.01416    0.45111
  8 Pt    0.00000   -0.03965    0.75166
  9 O    -1.58074    0.00089    0.05166
 10 O     1.58074    0.00089    0.05166
 11 O     0.00000   -0.00879   -0.56651
 12 O    -0.00000    0.01154    0.14073
 13 Pt   -0.00000    0.30682   -0.03827
 14 Pt    0.00000   -0.01980    0.00801
 15 O    -0.00112    0.01061    0.00360
 16 O     0.00112    0.01061    0.00360
 17 O    -0.00000    0.01797   -1.15609
 18 O    -0.00000    0.00259    0.02628
 19 Pt    0.00000   -0.02248    0.14219
 20 Pt    0.00000   -0.05650    0.18897
 21 O    -0.21835    0.40230    0.23538
 22 O     0.21835    0.40230    0.23538
 23 O     0.00000   -0.01776   -0.08825
 24 O     0.00000   -0.00089    1.14986
 25 Pt   -0.00000    0.01748   -0.37839
 26 Pt    0.00000   -0.00002   -0.43561
 27 O    -1.69197    0.01337   -0.71813
 28 O     1.69197    0.01337   -0.71813
 29 O    -0.00000    0.04480   -1.38892
 30 O     0.00000   -0.00443    1.83187
 31 Pt   -0.00000    0.01929    0.51116
 32 Pt    0.00000   -0.13848    0.58110
 33 O    -1.61389   -0.01923    0.07079
 34 O     1.61389   -0.01923    0.07079
 35 O     0.00000   -0.03254   -0.52571
 36 O    -0.00000    0.22922   -0.12209
 37 Pt    0.00000   -0.35010   -0.04493
 38 Pt    0.00000   -0.00397   -0.01183
 39 O     0.00952    0.01141    0.01600
 40 O    -0.00952    0.01141    0.01600
 41 O     0.00000    0.00010    0.03024
 42 O    -0.00000    0.03552   -0.01914
 43 Pt    0.00000   -0.00933    0.09610
 44 Pt    0.00000   -0.08471   -0.00835
 45 O    -0.20295   -0.42035    0.19048
 46 O     0.20295   -0.42035    0.19048
 47 O     0.00000   -0.02163   -0.06328
 48 O    -0.00000    0.02230    1.17189
 49 Pt    0.00000   -0.02254   -0.37763
 50 Pt   -0.00000    0.02104   -0.43702
 51 O    -1.69136   -0.01388   -0.71825
 52 O     1.69136   -0.01388   -0.71825
 53 O     0.00000   -0.01028   -1.40578
 54 O     0.00000   -0.00206    1.77365
 55 Pt    0.00000   -0.01252    0.51658
 56 Pt   -0.00000    0.11941    0.65544
 57 O    -1.61398    0.01363    0.09102
 58 O     1.61398    0.01363    0.09102
 59 O     0.00000   -0.02126   -0.51737
 60 O     0.00000   -0.22233   -0.11865
 61 Pt   -0.00000    0.02103   -0.10029
 62 Pt   -0.00000    0.01712   -0.00622
 63 O    -0.01554   -0.00776    0.00344
 64 O     0.01554   -0.00776    0.00344
 65 O     0.00000    0.00131   -0.00025
 66 O     0.00000   -0.01569   -0.00545
 67 Pt   -0.00000    0.00900    0.02567
 68 Pt   -0.00000    0.14882    0.02415
 69 O    -0.00885    0.00225   -0.03168
 70 O     0.00885    0.00225   -0.03168
 71 O    -0.00000    0.00848   -0.05586
 72 N     0.00000   -0.22288    0.15263
 73 N    -0.00000    0.22920    0.03619

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.682687   24.242435    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.579500   24.270918    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:11:15  -2.61   +inf  -414.247505    4      1      
iter:   2  19:13:20  -3.18  -2.85  -415.063603    3      1      
iter:   3  19:15:26  -3.56  -2.13  -414.210163    3      1      
iter:   4  19:17:32  -4.19  -3.13  -414.209723    3      1      
iter:   5  19:19:35  -4.84  -3.67  -414.206488    3      1      
iter:   6  19:21:36  -4.50  -3.78  -414.203120    3      1      
iter:   7  19:23:39  -5.28  -3.76  -414.204873    2      1      
iter:   8  19:25:42  -4.87  -3.93  -414.204704    3      1      
iter:   9  19:27:44  -5.49  -4.36  -414.204516    2      1      
iter:  10  19:29:46  -5.63  -4.33  -414.205136    2      1      
iter:  11  19:31:49  -6.05  -4.10  -414.204104    3      1      
iter:  12  19:33:53  -6.44  -4.17  -414.204805    3      1      
iter:  13  19:35:57  -6.65  -4.33  -414.204590    2      1      
iter:  14  19:38:00  -6.78  -4.66  -414.204473    2      1      
iter:  15  19:40:01  -7.04  -4.62  -414.204470    2      1      
iter:  16  19:41:55  -7.34  -4.83  -414.204417    2      1      
iter:  17  19:43:49  -7.21  -4.70  -414.204657    2      1      
iter:  18  19:45:43  -7.48  -4.87  -414.204354    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963178, -32.501860, 0.002686) |e|*Ang

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

Kinetic:        +18.725551
Potential:     -137.526922
External:        +0.000000
XC:            -305.111224
Entropy (-ST):   -1.566572
Local:          +10.491528
--------------------------
Free energy:   -414.987640
Extrapolated:  -414.204354

Fermi level: -6.53116

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59655    0.14620
  0   340     -6.58536    0.14051
  0   341     -6.58463    0.14013
  0   342     -6.55572    0.12469

  1   339     -6.50574    0.19413
  1   340     -6.45731    0.14371
  1   341     -6.42389    0.11329
  1   342     -6.41824    0.10858



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17397
  1 Pt    0.00000   -0.00299   -0.37337
  2 Pt    0.00000   -0.01902   -0.43182
  3 O    -1.68103    0.00028   -0.71821
  4 O     1.68103    0.00028   -0.71821
  5 O     0.00000   -0.01167   -1.38616
  6 O     0.00000   -0.00272    1.77453
  7 Pt   -0.00000    0.01383    0.45401
  8 Pt    0.00000   -0.03987    0.75392
  9 O    -1.58109    0.00052    0.05185
 10 O     1.58109    0.00052    0.05185
 11 O     0.00000   -0.00889   -0.56656
 12 O    -0.00000    0.01121    0.14066
 13 Pt   -0.00000    0.30858   -0.03711
 14 Pt    0.00000   -0.02003    0.00883
 15 O    -0.00160    0.01068    0.00317
 16 O     0.00160    0.01068    0.00317
 17 O    -0.00000    0.01802   -1.15923
 18 O    -0.00000    0.00198    0.02600
 19 Pt    0.00000   -0.02126    0.14302
 20 Pt    0.00000   -0.05669    0.19206
 21 O    -0.21892    0.40387    0.23591
 22 O     0.21892    0.40387    0.23591
 23 O     0.00000   -0.01595   -0.08732
 24 O     0.00000   -0.00098    1.14982
 25 Pt   -0.00000    0.01751   -0.37639
 26 Pt    0.00000   -0.00016   -0.43277
 27 O    -1.68962    0.01335   -0.71750
 28 O     1.68962    0.01335   -0.71750
 29 O    -0.00000    0.04468   -1.38900
 30 O     0.00000   -0.00444    1.84075
 31 Pt   -0.00000    0.01939    0.51383
 32 Pt    0.00000   -0.13803    0.58342
 33 O    -1.61414   -0.01909    0.07090
 34 O     1.61414   -0.01909    0.07090
 35 O     0.00000   -0.03245   -0.52579
 36 O    -0.00000    0.22973   -0.12268
 37 Pt    0.00000   -0.35121   -0.04401
 38 Pt    0.00000   -0.00391   -0.01115
 39 O     0.00944    0.01137    0.01545
 40 O    -0.00944    0.01137    0.01545
 41 O     0.00000    0.00011    0.03417
 42 O    -0.00000    0.03641   -0.01977
 43 Pt    0.00000   -0.00950    0.10205
 44 Pt    0.00000   -0.08505   -0.00370
 45 O    -0.20703   -0.42183    0.20283
 46 O     0.20703   -0.42183    0.20283
 47 O     0.00000   -0.02360   -0.06295
 48 O    -0.00000    0.02235    1.17183
 49 Pt    0.00000   -0.02262   -0.37555
 50 Pt   -0.00000    0.02109   -0.43409
 51 O    -1.68895   -0.01394   -0.71765
 52 O     1.68895   -0.01394   -0.71765
 53 O     0.00000   -0.01022   -1.40568
 54 O     0.00000   -0.00209    1.78324
 55 Pt    0.00000   -0.01228    0.51949
 56 Pt   -0.00000    0.11919    0.65780
 57 O    -1.61443    0.01385    0.09119
 58 O     1.61443    0.01385    0.09119
 59 O     0.00000   -0.02126   -0.51708
 60 O     0.00000   -0.22257   -0.11959
 61 Pt   -0.00000    0.02044   -0.09933
 62 Pt   -0.00000    0.01729   -0.00609
 63 O    -0.01604   -0.00778    0.00301
 64 O     0.01604   -0.00778    0.00301
 65 O     0.00000    0.00146    0.00468
 66 O     0.00000   -0.01591   -0.00645
 67 Pt   -0.00000    0.00798    0.02581
 68 Pt   -0.00000    0.14908    0.02488
 69 O    -0.00929    0.00133   -0.03143
 70 O     0.00929    0.00133   -0.03143
 71 O    -0.00000    0.00877   -0.05577
 72 N    -0.00000    0.22237    0.17396
 73 N     0.00000   -0.14902    0.06611

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.683721   24.262928    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.581508   24.304077    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:05:51  -2.56   +inf  -414.316835    3      1      
iter:   2  20:07:54  -2.84  -2.60  -416.820181    4      1      
iter:   3  20:09:54  -3.24  -1.92  -414.233044    3      1      
iter:   4  20:11:55  -3.68  -2.88  -414.216711    3      1      
iter:   5  20:13:55  -4.35  -3.44  -414.212186    3      1      
iter:   6  20:15:56  -4.44  -3.67  -414.209235    3      1      
iter:   7  20:17:57  -4.70  -3.75  -414.209932    3      1      
iter:   8  20:19:58  -4.96  -3.56  -414.209921    3      1      
iter:   9  20:21:59  -5.52  -4.13  -414.209499    2      1      
iter:  10  20:23:59  -6.04  -4.45  -414.209752    2      1      
iter:  11  20:26:01  -6.34  -4.43  -414.208892    3      1      
iter:  12  20:28:02  -6.59  -4.31  -414.209490    2      1      
iter:  13  20:30:04  -6.89  -4.63  -414.209450    2      1      
iter:  14  20:32:00  -6.94  -4.58  -414.209484    2      1      
iter:  15  20:33:56  -7.26  -4.40  -414.209459    2      1      
iter:  16  20:35:48  -7.39  -4.94  -414.209347    2      1      
iter:  17  20:37:40  -8.15  -5.07  -414.209448    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963246, -32.500815, 0.002519) |e|*Ang

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

Kinetic:        +18.782966
Potential:     -137.591142
External:        +0.000000
XC:            -305.111276
Entropy (-ST):   -1.566205
Local:          +10.493107
--------------------------
Free energy:   -414.992551
Extrapolated:  -414.209448

Fermi level: -6.53236

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59776    0.14620
  0   340     -6.58641    0.14043
  0   341     -6.58566    0.14004
  0   342     -6.55716    0.12482

  1   339     -6.50652    0.19367
  1   340     -6.45843    0.14363
  1   341     -6.42509    0.11329
  1   342     -6.41971    0.10880



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17375
  1 Pt    0.00000   -0.00299   -0.37535
  2 Pt    0.00000   -0.01903   -0.43422
  3 O    -1.68299    0.00026   -0.71869
  4 O     1.68299    0.00026   -0.71869
  5 O     0.00000   -0.01163   -1.38571
  6 O     0.00000   -0.00275    1.76976
  7 Pt   -0.00000    0.01384    0.45260
  8 Pt    0.00000   -0.03998    0.75271
  9 O    -1.58041    0.00060    0.05259
 10 O     1.58041    0.00060    0.05259
 11 O     0.00000   -0.00884   -0.56622
 12 O    -0.00000    0.01115    0.14089
 13 Pt   -0.00000    0.30966   -0.03604
 14 Pt    0.00000   -0.02002    0.00979
 15 O    -0.00078    0.01065    0.00399
 16 O     0.00078    0.01065    0.00399
 17 O    -0.00000    0.01779   -1.16416
 18 O    -0.00000    0.00213    0.02677
 19 Pt    0.00000   -0.02174    0.14495
 20 Pt    0.00000   -0.05819    0.19135
 21 O    -0.21900    0.40417    0.23801
 22 O     0.21900    0.40417    0.23801
 23 O     0.00000   -0.01689   -0.08740
 24 O     0.00000   -0.00095    1.14962
 25 Pt   -0.00000    0.01753   -0.37833
 26 Pt    0.00000   -0.00013   -0.43519
 27 O    -1.69156    0.01335   -0.71798
 28 O     1.69156    0.01335   -0.71798
 29 O    -0.00000    0.04461   -1.38869
 30 O     0.00000   -0.00445    1.83590
 31 Pt   -0.00000    0.01941    0.51246
 32 Pt    0.00000   -0.13781    0.58241
 33 O    -1.61345   -0.01913    0.07165
 34 O     1.61345   -0.01913    0.07165
 35 O     0.00000   -0.03246   -0.52548
 36 O    -0.00000    0.23051   -0.12286
 37 Pt    0.00000   -0.35216   -0.04294
 38 Pt    0.00000   -0.00390   -0.01030
 39 O     0.01026    0.01146    0.01638
 40 O    -0.01026    0.01146    0.01638
 41 O     0.00000    0.00045    0.03300
 42 O    -0.00000    0.03622   -0.01899
 43 Pt    0.00000   -0.00915    0.10354
 44 Pt    0.00000   -0.08340   -0.00552
 45 O    -0.20748   -0.42257    0.20647
 46 O     0.20748   -0.42257    0.20647
 47 O     0.00000   -0.02265   -0.06333
 48 O    -0.00000    0.02236    1.17163
 49 Pt    0.00000   -0.02264   -0.37754
 50 Pt   -0.00000    0.02107   -0.43657
 51 O    -1.69092   -0.01394   -0.71810
 52 O     1.69092   -0.01394   -0.71810
 53 O     0.00000   -0.01019   -1.40531
 54 O     0.00000   -0.00203    1.77835
 55 Pt    0.00000   -0.01231    0.51812
 56 Pt   -0.00000    0.11907    0.65671
 57 O    -1.61374    0.01381    0.09194
 58 O     1.61374    0.01381    0.09194
 59 O     0.00000   -0.02129   -0.51675
 60 O     0.00000   -0.22331   -0.11960
 61 Pt   -0.00000    0.02039   -0.09863
 62 Pt   -0.00000    0.01725   -0.00531
 63 O    -0.01528   -0.00781    0.00373
 64 O     0.01528   -0.00781    0.00373
 65 O     0.00000    0.00149    0.00352
 66 O     0.00000   -0.01584   -0.00570
 67 Pt   -0.00000    0.00820    0.02796
 68 Pt   -0.00000    0.14885    0.02668
 69 O    -0.00947    0.00127   -0.02961
 70 O     0.00947    0.00127   -0.02961
 71 O    -0.00000    0.00878   -0.05561
 72 N    -0.00000    0.35409    0.17445
 73 N     0.00000   -0.26086    0.10221

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.685563   24.283196    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.581809   24.336304    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:52:58  -2.58   +inf  -414.244204    3      1      
iter:   2  20:55:04  -3.16  -2.82  -415.230046    3      1      
iter:   3  20:57:07  -3.59  -2.11  -414.226479    3      1      
iter:   4  20:59:13  -4.22  -3.33  -414.218876    3      1      
iter:   5  21:01:14  -4.64  -3.65  -414.219388    3      1      
iter:   6  21:03:16  -4.59  -3.82  -414.216753    3      1      
iter:   7  21:05:17  -4.63  -3.96  -414.216434    3      1      
iter:   8  21:07:17  -5.23  -4.04  -414.216827    3      1      
iter:   9  21:09:18  -5.70  -4.35  -414.216505    2      1      
iter:  10  21:11:20  -6.58  -4.31  -414.217277    2      1      
iter:  11  21:13:24  -6.52  -4.29  -414.216590    2      1      
iter:  12  21:15:26  -6.62  -4.41  -414.216907    2      1      
iter:  13  21:17:27  -6.71  -4.29  -414.216871    2      1      
iter:  14  21:19:27  -6.90  -4.60  -414.216920    2      1      
iter:  15  21:21:20  -7.16  -4.59  -414.216938    2      1      
iter:  16  21:23:13  -7.03  -4.59  -414.216601    2      1      
iter:  17  21:25:06  -7.46  -4.71  -414.216868    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963226, -32.499610, 0.001103) |e|*Ang

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

Kinetic:        +18.473076
Potential:     -137.368029
External:        +0.000000
XC:            -305.031634
Entropy (-ST):   -1.566196
Local:          +10.492818
--------------------------
Free energy:   -414.999966
Extrapolated:  -414.216868

Fermi level: -6.53363

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59904    0.14621
  0   340     -6.58759    0.14038
  0   341     -6.58684    0.13999
  0   342     -6.55867    0.12495

  1   339     -6.50769    0.19356
  1   340     -6.45963    0.14356
  1   341     -6.42646    0.11337
  1   342     -6.42123    0.10901



Forces in eV/Ang:
  0 O     0.00000   -0.01748    1.17450
  1 Pt    0.00000   -0.00300   -0.37539
  2 Pt    0.00000   -0.01901   -0.43427
  3 O    -1.68346    0.00030   -0.71853
  4 O     1.68346    0.00030   -0.71853
  5 O     0.00000   -0.01162   -1.38610
  6 O     0.00000   -0.00282    1.76601
  7 Pt   -0.00000    0.01384    0.45129
  8 Pt    0.00000   -0.04011    0.75204
  9 O    -1.58061    0.00057    0.05172
 10 O     1.58061    0.00057    0.05172
 11 O     0.00000   -0.00886   -0.56658
 12 O    -0.00000    0.01129    0.14065
 13 Pt   -0.00000    0.31051   -0.03660
 14 Pt    0.00000   -0.01993    0.00958
 15 O    -0.00078    0.01073    0.00400
 16 O     0.00078    0.01073    0.00400
 17 O    -0.00000    0.01737   -1.16920
 18 O    -0.00000    0.00202    0.02730
 19 Pt    0.00000   -0.02187    0.14284
 20 Pt    0.00000   -0.05589    0.19493
 21 O    -0.21923    0.40466    0.23661
 22 O     0.21923    0.40466    0.23661
 23 O     0.00000   -0.01706   -0.08879
 24 O     0.00000   -0.00097    1.15037
 25 Pt   -0.00000    0.01756   -0.37842
 26 Pt    0.00000   -0.00016   -0.43523
 27 O    -1.69206    0.01334   -0.71783
 28 O     1.69206    0.01334   -0.71783
 29 O    -0.00000    0.04457   -1.38912
 30 O     0.00000   -0.00436    1.83226
 31 Pt   -0.00000    0.01942    0.51126
 32 Pt    0.00000   -0.13756    0.58185
 33 O    -1.61357   -0.01912    0.07082
 34 O     1.61357   -0.01912    0.07082
 35 O     0.00000   -0.03246   -0.52583
 36 O    -0.00000    0.23068   -0.12333
 37 Pt    0.00000   -0.35294   -0.04398
 38 Pt    0.00000   -0.00402   -0.01052
 39 O     0.01021    0.01146    0.01640
 40 O    -0.01021    0.01146    0.01640
 41 O     0.00000    0.00080    0.03134
 42 O    -0.00000    0.03644   -0.01857
 43 Pt    0.00000   -0.00900    0.10378
 44 Pt    0.00000   -0.08520   -0.00376
 45 O    -0.21040   -0.42355    0.21122
 46 O     0.21040   -0.42355    0.21122
 47 O     0.00000   -0.02254   -0.06520
 48 O    -0.00000    0.02235    1.17238
 49 Pt    0.00000   -0.02266   -0.37758
 50 Pt   -0.00000    0.02108   -0.43659
 51 O    -1.69139   -0.01395   -0.71794
 52 O     1.69139   -0.01395   -0.71794
 53 O     0.00000   -0.01016   -1.40557
 54 O     0.00000   -0.00206    1.77492
 55 Pt    0.00000   -0.01232    0.51678
 56 Pt   -0.00000    0.11894    0.65592
 57 O    -1.61395    0.01385    0.09101
 58 O     1.61395    0.01385    0.09101
 59 O     0.00000   -0.02127   -0.51726
 60 O     0.00000   -0.22368   -0.11983
 61 Pt   -0.00000    0.02038   -0.09935
 62 Pt   -0.00000    0.01727   -0.00532
 63 O    -0.01527   -0.00790    0.00378
 64 O     0.01527   -0.00790    0.00378
 65 O     0.00000    0.00156    0.00272
 66 O     0.00000   -0.01595   -0.00544
 67 Pt   -0.00000    0.00820    0.02560
 68 Pt   -0.00000    0.14847    0.02321
 69 O    -0.00959    0.00127   -0.03150
 70 O     0.00959    0.00127   -0.03150
 71 O    -0.00000    0.00884   -0.05757
 72 N    -0.00000    0.01844    0.13459
 73 N    -0.00000    0.06971    0.10487

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.683721   24.308382    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.584495   24.373290    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:37:42  -2.44   +inf  -414.265126    4      1      
iter:   2  21:39:46  -3.13  -2.87  -414.981053    3      1      
iter:   3  21:41:51  -3.53  -2.16  -414.232365    3      1      
iter:   4  21:43:56  -4.15  -3.09  -414.230275    3      1      
iter:   5  21:45:57  -4.78  -3.63  -414.226568    3      1      
iter:   6  21:48:00  -4.37  -3.69  -414.222190    3      1      
iter:   7  21:50:02  -5.11  -3.71  -414.223636    2      1      
iter:   8  21:52:03  -4.68  -3.90  -414.223860    3      1      
iter:   9  21:54:03  -5.38  -4.20  -414.223739    2      1      
iter:  10  21:56:05  -5.53  -4.19  -414.224784    2      1      
iter:  11  21:58:09  -6.05  -3.84  -414.223254    3      1      
iter:  12  22:00:11  -6.39  -4.16  -414.224132    2      1      
iter:  13  22:02:12  -6.35  -4.26  -414.223793    2      1      
iter:  14  22:04:12  -6.53  -4.53  -414.223696    2      1      
iter:  15  22:06:05  -6.80  -4.60  -414.223664    2      1      
iter:  16  22:07:58  -7.20  -4.83  -414.223622    2      1      
iter:  17  22:09:51  -7.27  -4.81  -414.223843    2      1      
iter:  18  22:11:43  -7.24  -4.87  -414.223652    2      1      
iter:  19  22:13:35  -7.57  -4.63  -414.223729    2      1      

Converged after 19 iterations.

Dipole moment: (-55.963289, -32.497606, -0.002112) |e|*Ang

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

Kinetic:        +19.004340
Potential:     -137.792872
External:        +0.000000
XC:            -305.144946
Entropy (-ST):   -1.566256
Local:          +10.492877
--------------------------
Free energy:   -415.006857
Extrapolated:  -414.223729

Fermi level: -6.53590

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60115    0.14613
  0   340     -6.58984    0.14037
  0   341     -6.58912    0.14000
  0   342     -6.56119    0.12509

  1   339     -6.50997    0.19357
  1   340     -6.46190    0.14355
  1   341     -6.42886    0.11348
  1   342     -6.42371    0.10918



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17481
  1 Pt    0.00000   -0.00298   -0.37469
  2 Pt    0.00000   -0.01904   -0.43198
  3 O    -1.68356    0.00027   -0.71788
  4 O     1.68356    0.00027   -0.71788
  5 O     0.00000   -0.01155   -1.38614
  6 O     0.00000   -0.00272    1.76600
  7 Pt   -0.00000    0.01380    0.45088
  8 Pt    0.00000   -0.04018    0.75184
  9 O    -1.58077    0.00053    0.05097
 10 O     1.58077    0.00053    0.05097
 11 O     0.00000   -0.00886   -0.56679
 12 O    -0.00000    0.01106    0.13969
 13 Pt   -0.00000    0.31185   -0.03682
 14 Pt    0.00000   -0.02015    0.00894
 15 O    -0.00090    0.01076    0.00327
 16 O     0.00090    0.01076    0.00327
 17 O    -0.00000    0.01688   -1.17220
 18 O    -0.00000    0.00179    0.02681
 19 Pt    0.00000   -0.02125    0.14372
 20 Pt    0.00000   -0.05517    0.19811
 21 O    -0.21944    0.40618    0.23698
 22 O     0.21944    0.40618    0.23698
 23 O     0.00000   -0.01554   -0.08742
 24 O     0.00000   -0.00093    1.15067
 25 Pt   -0.00000    0.01759   -0.37762
 26 Pt    0.00000   -0.00012   -0.43297
 27 O    -1.69212    0.01334   -0.71719
 28 O     1.69212    0.01334   -0.71719
 29 O    -0.00000    0.04446   -1.38922
 30 O     0.00000   -0.00446    1.83219
 31 Pt   -0.00000    0.01941    0.51075
 32 Pt    0.00000   -0.13739    0.58185
 33 O    -1.61374   -0.01908    0.07002
 34 O     1.61374   -0.01908    0.07002
 35 O     0.00000   -0.03248   -0.52611
 36 O    -0.00000    0.23132   -0.12460
 37 Pt    0.00000   -0.35380   -0.04449
 38 Pt    0.00000   -0.00375   -0.01099
 39 O     0.01026    0.01139    0.01555
 40 O    -0.01026    0.01139    0.01555
 41 O    -0.00000    0.00133    0.03120
 42 O    -0.00000    0.03720   -0.01924
 43 Pt    0.00000   -0.00903    0.10937
 44 Pt    0.00000   -0.08534   -0.00127
 45 O    -0.21385   -0.42468    0.22097
 46 O     0.21385   -0.42468    0.22097
 47 O     0.00000   -0.02398   -0.06470
 48 O    -0.00000    0.02234    1.17266
 49 Pt    0.00000   -0.02270   -0.37689
 50 Pt   -0.00000    0.02108   -0.43441
 51 O    -1.69150   -0.01392   -0.71729
 52 O     1.69150   -0.01392   -0.71729
 53 O     0.00000   -0.01011   -1.40559
 54 O     0.00000   -0.00206    1.77475
 55 Pt    0.00000   -0.01227    0.51637
 56 Pt   -0.00000    0.11883    0.65595
 57 O    -1.61416    0.01384    0.09027
 58 O     1.61416    0.01384    0.09027
 59 O     0.00000   -0.02126   -0.51728
 60 O     0.00000   -0.22412   -0.12102
 61 Pt   -0.00000    0.02002   -0.09984
 62 Pt   -0.00000    0.01723   -0.00590
 63 O    -0.01538   -0.00784    0.00312
 64 O     0.01538   -0.00784    0.00312
 65 O     0.00000    0.00155    0.00269
 66 O     0.00000   -0.01641   -0.00614
 67 Pt   -0.00000    0.00758    0.02565
 68 Pt   -0.00000    0.14817    0.02214
 69 O    -0.00953    0.00030   -0.03159
 70 O     0.00953    0.00030   -0.03159
 71 O    -0.00000    0.00882   -0.05737
 72 N    -0.00000    0.58723    0.13744
 73 N     0.00000   -0.52553    0.13773

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.687578   24.321257    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.578593   24.390678    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:20:02  -2.90   +inf  -414.417720    4      1      
iter:   2  22:22:07  -2.64  -2.46  -418.974272    4      1      
iter:   3  22:24:11  -3.04  -1.80  -414.292101    3      1      
iter:   4  22:26:16  -3.59  -2.84  -414.238415    3      1      
iter:   5  22:28:20  -4.07  -3.28  -414.236693    3      1      
iter:   6  22:30:25  -4.45  -3.47  -414.231242    3      1      
iter:   7  22:32:25  -4.70  -3.61  -414.230266    3      1      
iter:   8  22:34:26  -4.88  -3.54  -414.227686    3      1      
iter:   9  22:36:27  -4.61  -3.87  -414.226141    3      1      
iter:  10  22:38:27  -4.88  -3.90  -414.225263    3      1      
iter:  11  22:40:28  -5.57  -4.07  -414.225841    2      1      
iter:  12  22:42:29  -5.75  -4.07  -414.225101    2      1      
iter:  13  22:44:24  -6.04  -4.22  -414.225328    2      1      
iter:  14  22:46:16  -6.31  -4.11  -414.225449    2      1      
iter:  15  22:48:09  -6.49  -4.33  -414.225460    2      1      
iter:  16  22:50:02  -6.45  -4.48  -414.225628    3      1      
iter:  17  22:51:55  -6.36  -4.32  -414.225181    2      1      
iter:  18  22:53:47  -6.82  -4.38  -414.225333    2      1      
iter:  19  22:55:40  -6.95  -4.56  -414.225252    2      1      
iter:  20  22:57:33  -7.12  -4.69  -414.225195    2      1      
iter:  21  22:59:25  -8.04  -4.86  -414.225221    2      1      

Converged after 21 iterations.

Dipole moment: (-55.963213, -32.498140, -0.001500) |e|*Ang

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

Kinetic:        +17.457026
Potential:     -136.583872
External:        +0.000000
XC:            -304.806660
Entropy (-ST):   -1.566325
Local:          +10.491447
--------------------------
Free energy:   -415.008384
Extrapolated:  -414.225221

Fermi level: -6.53575

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60112    0.14619
  0   340     -6.58964    0.14034
  0   341     -6.58891    0.13997
  0   342     -6.56113    0.12513

  1   339     -6.50980    0.19355
  1   340     -6.46171    0.14352
  1   341     -6.42878    0.11353
  1   342     -6.42365    0.10925



Forces in eV/Ang:
  0 O     0.00000   -0.01752    1.17543
  1 Pt    0.00000   -0.00296   -0.37477
  2 Pt    0.00000   -0.01905   -0.43327
  3 O    -1.68329    0.00027   -0.71783
  4 O     1.68329    0.00027   -0.71783
  5 O     0.00000   -0.01153   -1.38617
  6 O     0.00000   -0.00270    1.76478
  7 Pt   -0.00000    0.01378    0.45114
  8 Pt    0.00000   -0.04018    0.75239
  9 O    -1.58101    0.00058    0.05141
 10 O     1.58101    0.00058    0.05141
 11 O     0.00000   -0.00884   -0.56693
 12 O    -0.00000    0.01075    0.14015
 13 Pt   -0.00000    0.31245   -0.03699
 14 Pt    0.00000   -0.02016    0.00912
 15 O    -0.00073    0.01074    0.00349
 16 O     0.00073    0.01074    0.00349
 17 O    -0.00000    0.01670   -1.17378
 18 O    -0.00000    0.00210    0.02758
 19 Pt    0.00000   -0.02174    0.13968
 20 Pt    0.00000   -0.05237    0.20299
 21 O    -0.21955    0.40593    0.23387
 22 O     0.21955    0.40593    0.23387
 23 O     0.00000   -0.01723   -0.09036
 24 O     0.00000   -0.00091    1.15127
 25 Pt   -0.00000    0.01758   -0.37768
 26 Pt    0.00000   -0.00010   -0.43428
 27 O    -1.69183    0.01334   -0.71713
 28 O     1.69183    0.01334   -0.71713
 29 O    -0.00000    0.04443   -1.38930
 30 O     0.00000   -0.00449    1.83099
 31 Pt   -0.00000    0.01943    0.51096
 32 Pt    0.00000   -0.13739    0.58250
 33 O    -1.61401   -0.01910    0.07045
 34 O     1.61401   -0.01910    0.07045
 35 O     0.00000   -0.03245   -0.52611
 36 O    -0.00000    0.23167   -0.12419
 37 Pt    0.00000   -0.35395   -0.04415
 38 Pt    0.00000   -0.00368   -0.01108
 39 O     0.01050    0.01145    0.01602
 40 O    -0.01050    0.01145    0.01602
 41 O    -0.00000    0.00132    0.03013
 42 O    -0.00000    0.03663   -0.01837
 43 Pt    0.00000   -0.00883    0.10500
 44 Pt    0.00000   -0.08709    0.00138
 45 O    -0.21348   -0.42485    0.21735
 46 O     0.21348   -0.42485    0.21735
 47 O     0.00000   -0.02225   -0.06758
 48 O    -0.00000    0.02234    1.17326
 49 Pt    0.00000   -0.02272   -0.37699
 50 Pt   -0.00000    0.02106   -0.43576
 51 O    -1.69123   -0.01393   -0.71724
 52 O     1.69123   -0.01393   -0.71724
 53 O     0.00000   -0.01010   -1.40573
 54 O     0.00000   -0.00205    1.77351
 55 Pt    0.00000   -0.01227    0.51668
 56 Pt   -0.00000    0.11882    0.65674
 57 O    -1.61435    0.01381    0.09071
 58 O     1.61435    0.01381    0.09071
 59 O     0.00000   -0.02129   -0.51721
 60 O     0.00000   -0.22414   -0.12083
 61 Pt   -0.00000    0.01954   -0.10013
 62 Pt   -0.00000    0.01717   -0.00635
 63 O    -0.01536   -0.00788    0.00329
 64 O     0.01536   -0.00788    0.00329
 65 O    -0.00000    0.00173    0.00155
 66 O     0.00000   -0.01619   -0.00542
 67 Pt   -0.00000    0.00792    0.02214
 68 Pt   -0.00000    0.14759    0.01864
 69 O    -0.00992    0.00085   -0.03483
 70 O     0.00992    0.00085   -0.03483
 71 O    -0.00000    0.00873   -0.06013
 72 N     0.00000   -0.83651    0.20478
 73 N    -0.00000    0.80864   -0.02513

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
                     Pt            
          O Pt   O     O           
                   Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  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    3.683189   24.352395    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.581519   24.430570    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:03:52  -2.33   +inf  -414.364345    4      1      
iter:   2  23:05:55  -2.78  -2.60  -416.637326    4      1      
iter:   3  23:07:56  -3.18  -1.93  -414.267533    3      1      
iter:   4  23:09:57  -3.81  -2.81  -414.252054    3      1      
iter:   5  23:11:58  -4.52  -3.24  -414.242682    3      1      
iter:   6  23:13:58  -4.39  -3.46  -414.237098    3      1      
iter:   7  23:16:00  -4.84  -3.65  -414.238217    3      1      
iter:   8  23:18:00  -4.59  -3.47  -414.237836    3      1      
iter:   9  23:20:00  -4.66  -3.70  -414.235181    3      1      
iter:  10  23:22:03  -5.04  -4.03  -414.235531    3      1      
iter:  11  23:24:06  -5.76  -4.08  -414.235316    2      1      
iter:  12  23:26:08  -6.07  -4.09  -414.235548    2      1      
iter:  13  23:28:04  -5.99  -4.27  -414.235370    3      1      
iter:  14  23:29:57  -6.11  -4.41  -414.235548    3      1      
iter:  15  23:31:51  -6.15  -4.38  -414.235104    3      1      
iter:  16  23:33:43  -6.72  -4.59  -414.235227    2      1      
iter:  17  23:35:36  -7.04  -4.55  -414.235421    2      1      
iter:  18  23:37:29  -6.96  -4.30  -414.235160    2      1      
iter:  19  23:39:22  -7.39  -4.96  -414.235159    2      1      
iter:  20  23:41:15  -7.61  -5.03  -414.235147    2      1      

Converged after 20 iterations.

Dipole moment: (-55.963341, -32.496249, -0.005025) |e|*Ang

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

Kinetic:        +18.352510
Potential:     -137.289390
External:        +0.000000
XC:            -305.005909
Entropy (-ST):   -1.566392
Local:          +10.490838
--------------------------
Free energy:   -415.018343
Extrapolated:  -414.235147

Fermi level: -6.53839

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60361    0.14611
  0   340     -6.59226    0.14034
  0   341     -6.59157    0.13998
  0   342     -6.56406    0.12530

  1   339     -6.51248    0.19360
  1   340     -6.46432    0.14349
  1   341     -6.43162    0.11371
  1   342     -6.42648    0.10941



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17443
  1 Pt    0.00000   -0.00295   -0.37498
  2 Pt    0.00000   -0.01905   -0.43284
  3 O    -1.68340    0.00027   -0.71812
  4 O     1.68340    0.00027   -0.71812
  5 O     0.00000   -0.01150   -1.38609
  6 O     0.00000   -0.00275    1.76634
  7 Pt   -0.00000    0.01379    0.45145
  8 Pt    0.00000   -0.04036    0.75280
  9 O    -1.58103    0.00059    0.05127
 10 O     1.58103    0.00059    0.05127
 11 O     0.00000   -0.00886   -0.56719
 12 O    -0.00000    0.01074    0.13942
 13 Pt   -0.00000    0.31328   -0.03755
 14 Pt    0.00000   -0.02022    0.00871
 15 O    -0.00075    0.01082    0.00318
 16 O     0.00075    0.01082    0.00318
 17 O    -0.00000    0.01612   -1.17758
 18 O    -0.00000    0.00167    0.02685
 19 Pt    0.00000   -0.02098    0.14543
 20 Pt    0.00000   -0.05365    0.20469
 21 O    -0.21923    0.40710    0.23874
 22 O     0.21923    0.40710    0.23874
 23 O     0.00000   -0.01496   -0.08531
 24 O     0.00000   -0.00089    1.15027
 25 Pt   -0.00000    0.01759   -0.37787
 26 Pt    0.00000   -0.00010   -0.43383
 27 O    -1.69196    0.01333   -0.71744
 28 O     1.69196    0.01333   -0.71744
 29 O    -0.00000    0.04436   -1.38927
 30 O     0.00000   -0.00444    1.83257
 31 Pt   -0.00000    0.01943    0.51133
 32 Pt    0.00000   -0.13710    0.58307
 33 O    -1.61395   -0.01912    0.07032
 34 O     1.61395   -0.01912    0.07032
 35 O     0.00000   -0.03244   -0.52639
 36 O    -0.00000    0.23199   -0.12511
 37 Pt    0.00000   -0.35445   -0.04546
 38 Pt    0.00000   -0.00361   -0.01154
 39 O     0.01043    0.01138    0.01549
 40 O    -0.01043    0.01138    0.01549
 41 O    -0.00000    0.00190    0.02876
 42 O    -0.00000    0.03731   -0.01928
 43 Pt    0.00000   -0.00895    0.11485
 44 Pt    0.00000   -0.08548    0.00440
 45 O    -0.21625   -0.42547    0.23046
 46 O     0.21625   -0.42547    0.23046
 47 O     0.00000   -0.02463   -0.06306
 48 O    -0.00000    0.02234    1.17227
 49 Pt    0.00000   -0.02274   -0.37721
 50 Pt   -0.00000    0.02107   -0.43536
 51 O    -1.69136   -0.01392   -0.71754
 52 O     1.69136   -0.01392   -0.71754
 53 O     0.00000   -0.01006   -1.40556
 54 O     0.00000   -0.00206    1.77517
 55 Pt    0.00000   -0.01228    0.51698
 56 Pt   -0.00000    0.11871    0.65712
 57 O    -1.61436    0.01382    0.09056
 58 O     1.61436    0.01382    0.09056
 59 O     0.00000   -0.02130   -0.51751
 60 O     0.00000   -0.22450   -0.12147
 61 Pt   -0.00000    0.01938   -0.10080
 62 Pt   -0.00000    0.01716   -0.00638
 63 O    -0.01529   -0.00790    0.00302
 64 O     0.01529   -0.00790    0.00302
 65 O    -0.00000    0.00164    0.00207
 66 O     0.00000   -0.01636   -0.00635
 67 Pt   -0.00000    0.00725    0.02761
 68 Pt   -0.00000    0.14764    0.02543
 69 O    -0.00964   -0.00032   -0.03008
 70 O     0.00964   -0.00032   -0.03008
 71 O    -0.00000    0.00894   -0.05604
 72 N    -0.00000    0.12943    0.16686
 73 N     0.00000   -0.04407    0.08145

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt 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    3.680488   24.384642    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.581298   24.470570    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:58:08  -2.32   +inf  -414.267943    4      1      
iter:   2  00:00:13  -3.19  -3.03  -414.472034    3      1      
iter:   3  00:02:17  -3.68  -2.40  -414.259410    3      1      
iter:   4  00:04:21  -4.23  -2.97  -414.248589    3      1      
iter:   5  00:06:23  -4.73  -3.71  -414.245471    3      1      
iter:   6  00:08:24  -4.32  -3.69  -414.241813    3      1      
iter:   7  00:10:25  -4.81  -3.89  -414.242907    3      1      
iter:   8  00:12:25  -4.94  -4.12  -414.243100    3      1      
iter:   9  00:14:29  -5.47  -4.23  -414.243192    2      1      
iter:  10  00:16:33  -5.94  -3.94  -414.243851    2      1      
iter:  11  00:18:36  -6.19  -3.98  -414.243253    2      1      
iter:  12  00:20:37  -6.35  -4.42  -414.243491    2      1      
iter:  13  00:22:38  -6.58  -4.36  -414.243063    3      1      
iter:  14  00:24:39  -7.16  -4.61  -414.243157    2      1      
iter:  15  00:26:40  -7.17  -4.79  -414.243110    2      1      
iter:  16  00:28:40  -7.61  -4.76  -414.243074    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963406, -32.495516, -0.007406) |e|*Ang

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

Kinetic:        +18.590361
Potential:     -137.494258
External:        +0.000000
XC:            -305.046409
Entropy (-ST):   -1.566528
Local:          +10.490496
--------------------------
Free energy:   -415.026338
Extrapolated:  -414.243074

Fermi level: -6.54031

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60525    0.14597
  0   340     -6.59434    0.14042
  0   341     -6.59372    0.14009
  0   342     -6.56619    0.12541

  1   339     -6.51455    0.19376
  1   340     -6.46636    0.14360
  1   341     -6.43383    0.11395
  1   342     -6.42851    0.10950



Forces in eV/Ang:
  0 O     0.00000   -0.01757    1.17326
  1 Pt    0.00000   -0.00296   -0.37570
  2 Pt    0.00000   -0.01906   -0.43484
  3 O    -1.68127    0.00028   -0.71886
  4 O     1.68127    0.00028   -0.71886
  5 O     0.00000   -0.01146   -1.38616
  6 O     0.00000   -0.00276    1.77252
  7 Pt   -0.00000    0.01381    0.45376
  8 Pt    0.00000   -0.04049    0.75485
  9 O    -1.58079    0.00058    0.05221
 10 O     1.58079    0.00058    0.05221
 11 O     0.00000   -0.00885   -0.56679
 12 O    -0.00000    0.01065    0.13948
 13 Pt   -0.00000    0.31394   -0.03639
 14 Pt    0.00000   -0.02018    0.00906
 15 O    -0.00111    0.01093    0.00301
 16 O     0.00111    0.01093    0.00301
 17 O    -0.00000    0.01574   -1.17869
 18 O    -0.00000    0.00159    0.02622
 19 Pt    0.00000   -0.02148    0.14833
 20 Pt    0.00000   -0.05478    0.20546
 21 O    -0.21991    0.40735    0.24071
 22 O     0.21991    0.40735    0.24071
 23 O     0.00000   -0.01588   -0.08453
 24 O     0.00000   -0.00089    1.14911
 25 Pt   -0.00000    0.01763   -0.37857
 26 Pt    0.00000   -0.00011   -0.43583
 27 O    -1.68982    0.01334   -0.71818
 28 O     1.68982    0.01334   -0.71818
 29 O    -0.00000    0.04431   -1.38932
 30 O     0.00000   -0.00441    1.83879
 31 Pt   -0.00000    0.01943    0.51370
 32 Pt    0.00000   -0.13691    0.58511
 33 O    -1.61368   -0.01910    0.07127
 34 O     1.61368   -0.01910    0.07127
 35 O     0.00000   -0.03248   -0.52608
 36 O    -0.00000    0.23198   -0.12509
 37 Pt    0.00000   -0.35469   -0.04455
 38 Pt    0.00000   -0.00378   -0.01112
 39 O     0.01009    0.01133    0.01544
 40 O    -0.01009    0.01133    0.01544
 41 O    -0.00000    0.00210    0.02978
 42 O    -0.00000    0.03726   -0.01991
 43 Pt    0.00000   -0.00852    0.11742
 44 Pt    0.00000   -0.08402    0.00630
 45 O    -0.21666   -0.42572    0.23342
 46 O     0.21666   -0.42572    0.23342
 47 O     0.00000   -0.02352   -0.06232
 48 O    -0.00000    0.02237    1.17111
 49 Pt    0.00000   -0.02277   -0.37789
 50 Pt   -0.00000    0.02108   -0.43737
 51 O    -1.68921   -0.01394   -0.71827
 52 O     1.68921   -0.01394   -0.71827
 53 O     0.00000   -0.01006   -1.40551
 54 O     0.00000   -0.00207    1.78144
 55 Pt    0.00000   -0.01229    0.51925
 56 Pt   -0.00000    0.11864    0.65902
 57 O    -1.61415    0.01381    0.09149
 58 O     1.61415    0.01381    0.09149
 59 O     0.00000   -0.02127   -0.51724
 60 O     0.00000   -0.22443   -0.12136
 61 Pt   -0.00000    0.01909   -0.09985
 62 Pt   -0.00000    0.01729   -0.00594
 63 O    -0.01566   -0.00796    0.00281
 64 O     0.01566   -0.00796    0.00281
 65 O    -0.00000    0.00168    0.00478
 66 O     0.00000   -0.01621   -0.00707
 67 Pt   -0.00000    0.00737    0.03125
 68 Pt   -0.00000    0.14795    0.03023
 69 O    -0.01010   -0.00042   -0.02794
 70 O     0.01010   -0.00042   -0.02794
 71 O    -0.00000    0.00882   -0.05459
 72 N    -0.00000    0.33980    0.16313
 73 N     0.00000   -0.29339    0.08849

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt 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    3.678448   24.416921    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.579399   24.508313    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:42:42  -2.34   +inf  -414.327432    3      1      
iter:   2  00:44:48  -2.89  -2.66  -416.264416    3      1      
iter:   3  00:46:52  -3.32  -1.97  -414.265600    3      1      
iter:   4  00:48:54  -3.80  -2.96  -414.256222    3      1      
iter:   5  00:50:56  -4.42  -3.47  -414.251956    3      1      
iter:   6  00:52:57  -4.32  -3.69  -414.248968    3      1      
iter:   7  00:54:56  -4.42  -3.56  -414.249362    3      1      
iter:   8  00:56:59  -4.94  -3.58  -414.249349    3      1      
iter:   9  00:59:02  -5.77  -4.22  -414.249115    2      1      
iter:  10  01:01:03  -6.05  -4.32  -414.249364    2      1      
iter:  11  01:03:05  -6.05  -4.37  -414.248559    3      1      
iter:  12  01:05:06  -6.61  -4.32  -414.249188    2      1      
iter:  13  01:07:07  -6.68  -4.60  -414.249175    2      1      
iter:  14  01:09:07  -6.59  -4.35  -414.249086    2      1      
iter:  15  01:11:10  -6.55  -3.89  -414.249106    2      1      
iter:  16  01:13:10  -7.08  -4.74  -414.249023    2      1      
iter:  17  01:15:10  -7.44  -5.02  -414.249063    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963414, -32.494711, -0.008848) |e|*Ang

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

Kinetic:        +18.566135
Potential:     -137.499594
External:        +0.000000
XC:            -305.024077
Entropy (-ST):   -1.566303
Local:          +10.491625
--------------------------
Free energy:   -415.032214
Extrapolated:  -414.249063

Fermi level: -6.54216

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60737    0.14611
  0   340     -6.59600    0.14032
  0   341     -6.59534    0.13998
  0   342     -6.56829    0.12555

  1   339     -6.51606    0.19339
  1   340     -6.46806    0.14346
  1   341     -6.43585    0.11410
  1   342     -6.43047    0.10960



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17394
  1 Pt    0.00000   -0.00297   -0.37583
  2 Pt    0.00000   -0.01903   -0.43482
  3 O    -1.68379    0.00029   -0.71823
  4 O     1.68379    0.00029   -0.71823
  5 O     0.00000   -0.01143   -1.38540
  6 O     0.00000   -0.00285    1.76615
  7 Pt   -0.00000    0.01375    0.45244
  8 Pt    0.00000   -0.04066    0.75406
  9 O    -1.58115    0.00049    0.05281
 10 O     1.58115    0.00049    0.05281
 11 O     0.00000   -0.00884   -0.56588
 12 O    -0.00000    0.01059    0.13986
 13 Pt   -0.00000    0.31484   -0.03607
 14 Pt    0.00000   -0.02006    0.00985
 15 O    -0.00073    0.01101    0.00413
 16 O     0.00073    0.01101    0.00413
 17 O    -0.00000    0.01536   -1.18365
 18 O    -0.00000    0.00151    0.02763
 19 Pt    0.00000   -0.02140    0.14613
 20 Pt    0.00000   -0.05343    0.20588
 21 O    -0.21960    0.40755    0.24018
 22 O     0.21960    0.40755    0.24018
 23 O     0.00000   -0.01636   -0.08658
 24 O     0.00000   -0.00090    1.14979
 25 Pt   -0.00000    0.01765   -0.37872
 26 Pt    0.00000   -0.00014   -0.43578
 27 O    -1.69234    0.01334   -0.71755
 28 O     1.69234    0.01334   -0.71755
 29 O    -0.00000    0.04426   -1.38860
 30 O     0.00000   -0.00434    1.83248
 31 Pt   -0.00000    0.01945    0.51247
 32 Pt    0.00000   -0.13666    0.58433
 33 O    -1.61396   -0.01907    0.07192
 34 O     1.61396   -0.01907    0.07192
 35 O     0.00000   -0.03246   -0.52522
 36 O    -0.00000    0.23241   -0.12510
 37 Pt    0.00000   -0.35502   -0.04440
 38 Pt    0.00000   -0.00393   -0.01038
 39 O     0.01048    0.01136    0.01661
 40 O    -0.01048    0.01136    0.01661
 41 O    -0.00000    0.00218    0.02593
 42 O    -0.00000    0.03753   -0.01856
 43 Pt    0.00000   -0.00841    0.11662
 44 Pt    0.00000   -0.08387    0.00591
 45 O    -0.21778   -0.42585    0.23718
 46 O     0.21778   -0.42585    0.23718
 47 O     0.00000   -0.02307   -0.06471
 48 O    -0.00000    0.02240    1.17180
 49 Pt    0.00000   -0.02279   -0.37800
 50 Pt   -0.00000    0.02109   -0.43730
 51 O    -1.69171   -0.01396   -0.71762
 52 O     1.69171   -0.01396   -0.71762
 53 O     0.00000   -0.01004   -1.40464
 54 O     0.00000   -0.00206    1.77531
 55 Pt    0.00000   -0.01226    0.51792
 56 Pt   -0.00000    0.11855    0.65809
 57 O    -1.61454    0.01387    0.09203
 58 O     1.61454    0.01387    0.09203
 59 O     0.00000   -0.02130   -0.51646
 60 O     0.00000   -0.22484   -0.12143
 61 Pt   -0.00000    0.01863   -0.09955
 62 Pt   -0.00000    0.01731   -0.00529
 63 O    -0.01533   -0.00806    0.00394
 64 O     0.01533   -0.00806    0.00394
 65 O    -0.00000    0.00178    0.00280
 66 O     0.00000   -0.01640   -0.00591
 67 Pt   -0.00000    0.00720    0.02908
 68 Pt   -0.00000    0.14719    0.02657
 69 O    -0.01024   -0.00055   -0.02895
 70 O     0.01024   -0.00055   -0.02895
 71 O    -0.00000    0.00879   -0.05684
 72 N    -0.00000    0.28841    0.07122
 73 N     0.00000   -0.24127    0.06610

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   NN                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt 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    3.676337   24.447637    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.576968   24.544194    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:29:42  -2.41   +inf  -414.255249    3      1      
iter:   2  01:31:48  -3.40  -3.70  -414.257773    2      1      
iter:   3  01:33:52  -4.05  -3.66  -414.259768    3      1      
iter:   4  01:35:56  -4.54  -3.28  -414.255029    3      1      
iter:   5  01:37:56  -4.56  -3.59  -414.257328    2      1      
iter:   6  01:39:56  -4.61  -3.76  -414.254093    3      1      
iter:   7  01:41:58  -5.31  -4.01  -414.254370    2      1      
iter:   8  01:44:02  -5.25  -4.40  -414.254520    2      1      
iter:   9  01:46:05  -5.60  -4.23  -414.254352    2      1      
iter:  10  01:48:07  -6.33  -4.61  -414.254207    2      1      
iter:  11  01:50:08  -6.68  -4.42  -414.254581    2      1      
iter:  12  01:52:08  -6.71  -4.14  -414.254248    2      1      
iter:  13  01:54:09  -7.01  -4.85  -414.254379    2      1      
iter:  14  01:56:12  -7.63  -4.89  -414.254250    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963443, -32.494175, -0.010726) |e|*Ang

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

Kinetic:        +18.401670
Potential:     -137.380265
External:        +0.000000
XC:            -304.984288
Entropy (-ST):   -1.566540
Local:          +10.491903
--------------------------
Free energy:   -415.037520
Extrapolated:  -414.254250

Fermi level: -6.54363

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60892    0.14615
  0   340     -6.59741    0.14029
  0   341     -6.59676    0.13996
  0   342     -6.57000    0.12568

  1   339     -6.51762    0.19349
  1   340     -6.46946    0.14339
  1   341     -6.43756    0.11430
  1   342     -6.43206    0.10969



Forces in eV/Ang:
  0 O     0.00000   -0.01760    1.17392
  1 Pt    0.00000   -0.00298   -0.37619
  2 Pt    0.00000   -0.01908   -0.43509
  3 O    -1.68295    0.00025   -0.71887
  4 O     1.68295    0.00025   -0.71887
  5 O     0.00000   -0.01141   -1.38623
  6 O     0.00000   -0.00284    1.76676
  7 Pt   -0.00000    0.01380    0.45163
  8 Pt    0.00000   -0.04076    0.75378
  9 O    -1.58106    0.00058    0.05143
 10 O     1.58106    0.00058    0.05143
 11 O     0.00000   -0.00890   -0.56723
 12 O    -0.00000    0.01033    0.13853
 13 Pt   -0.00000    0.31494   -0.03770
 14 Pt    0.00000   -0.02013    0.00821
 15 O    -0.00086    0.01089    0.00291
 16 O     0.00086    0.01089    0.00291
 17 O    -0.00000    0.01482   -1.18702
 18 O    -0.00000    0.00172    0.02715
 19 Pt    0.00000   -0.02195    0.14524
 20 Pt    0.00000   -0.05276    0.20430
 21 O    -0.21949    0.40769    0.23977
 22 O     0.21949    0.40769    0.23977
 23 O     0.00000   -0.01694   -0.08622
 24 O     0.00000   -0.00086    1.14975
 25 Pt   -0.00000    0.01766   -0.37905
 26 Pt    0.00000   -0.00008   -0.43607
 27 O    -1.69149    0.01334   -0.71824
 28 O     1.69149    0.01334   -0.71824
 29 O    -0.00000    0.04425   -1.38951
 30 O     0.00000   -0.00429    1.83299
 31 Pt   -0.00000    0.01942    0.51163
 32 Pt    0.00000   -0.13653    0.58419
 33 O    -1.61386   -0.01911    0.07049
 34 O     1.61386   -0.01911    0.07049
 35 O     0.00000   -0.03239   -0.52654
 36 O    -0.00000    0.23270   -0.12614
 37 Pt    0.00000   -0.35490   -0.04608
 38 Pt    0.00000   -0.00379   -0.01182
 39 O     0.01028    0.01140    0.01544
 40 O    -0.01028    0.01140    0.01544
 41 O    -0.00000    0.00266    0.02209
 42 O    -0.00000    0.03746   -0.01918
 43 Pt    0.00000   -0.00809    0.11615
 44 Pt    0.00000   -0.08368    0.00501
 45 O    -0.21822   -0.42592    0.23843
 46 O     0.21822   -0.42592    0.23843
 47 O     0.00000   -0.02229   -0.06443
 48 O    -0.00000    0.02237    1.17176
 49 Pt    0.00000   -0.02278   -0.37838
 50 Pt   -0.00000    0.02107   -0.43766
 51 O    -1.69089   -0.01391   -0.71826
 52 O     1.69089   -0.01391   -0.71826
 53 O     0.00000   -0.01004   -1.40553
 54 O     0.00000   -0.00212    1.77560
 55 Pt    0.00000   -0.01227    0.51713
 56 Pt   -0.00000    0.11852    0.65791
 57 O    -1.61444    0.01382    0.09069
 58 O     1.61444    0.01382    0.09069
 59 O     0.00000   -0.02132   -0.51783
 60 O     0.00000   -0.22492   -0.12215
 61 Pt   -0.00000    0.01849   -0.10125
 62 Pt   -0.00000    0.01724   -0.00656
 63 O    -0.01543   -0.00797    0.00273
 64 O     0.01543   -0.00797    0.00273
 65 O    -0.00000    0.00170   -0.00008
 66 O     0.00000   -0.01648   -0.00649
 67 Pt   -0.00000    0.00745    0.02881
 68 Pt   -0.00000    0.14691    0.02566
 69 O    -0.00992   -0.00067   -0.02911
 70 O     0.00992   -0.00067   -0.02911
 71 O    -0.00000    0.00853   -0.05636
 72 N    -0.00000    0.11720    0.17513
 73 N     0.00000   -0.16796    0.09965

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   NN                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt 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    3.673049   24.482872    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.575078   24.584150    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:16:22  -2.33   +inf  -414.287311    4      1      
iter:   2  02:18:20  -3.21  -3.01  -414.516305    3      1      
iter:   3  02:20:22  -3.70  -2.38  -414.277672    3      1      
iter:   4  02:22:24  -4.25  -2.95  -414.265732    3      1      
iter:   5  02:24:24  -4.76  -3.69  -414.262494    3      1      
iter:   6  02:26:25  -4.37  -3.71  -414.258867    3      1      
iter:   7  02:28:27  -4.99  -3.87  -414.260081    2      1      
iter:   8  02:30:27  -4.94  -4.13  -414.260167    3      1      
iter:   9  02:32:28  -5.38  -4.25  -414.260135    2      1      
iter:  10  02:34:30  -5.92  -3.87  -414.260959    3      1      
iter:  11  02:36:31  -6.14  -4.01  -414.260227    3      1      
iter:  12  02:38:34  -6.34  -4.58  -414.260509    2      1      
iter:  13  02:40:36  -6.43  -4.38  -414.260158    3      1      
iter:  14  02:42:38  -6.98  -4.51  -414.260162    2      1      
iter:  15  02:44:39  -6.87  -4.58  -414.260183    2      1      
iter:  16  02:46:40  -7.26  -4.70  -414.260118    2      1      
iter:  17  02:48:42  -7.32  -4.76  -414.260304    2      1      
iter:  18  02:50:44  -8.14  -5.08  -414.260193    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963493, -32.493204, -0.013023) |e|*Ang

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

Kinetic:        +18.470853
Potential:     -137.441512
External:        +0.000000
XC:            -304.998769
Entropy (-ST):   -1.566440
Local:          +10.492454
--------------------------
Free energy:   -415.043413
Extrapolated:  -414.260193

Fermi level: -6.54555

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61081    0.14613
  0   340     -6.59932    0.14029
  0   341     -6.59868    0.13995
  0   342     -6.57209    0.12577

  1   339     -6.51941    0.19335
  1   340     -6.47139    0.14340
  1   341     -6.43970    0.11449
  1   342     -6.43399    0.10971



Forces in eV/Ang:
  0 O     0.00000   -0.01761    1.17423
  1 Pt    0.00000   -0.00296   -0.37621
  2 Pt    0.00000   -0.01906   -0.43447
  3 O    -1.68330    0.00028   -0.71847
  4 O     1.68330    0.00028   -0.71847
  5 O     0.00000   -0.01134   -1.38606
  6 O     0.00000   -0.00279    1.76574
  7 Pt   -0.00000    0.01378    0.45132
  8 Pt    0.00000   -0.04080    0.75351
  9 O    -1.58087    0.00057    0.05139
 10 O     1.58087    0.00057    0.05139
 11 O     0.00000   -0.00884   -0.56721
 12 O    -0.00000    0.01033    0.13845
 13 Pt   -0.00000    0.31594   -0.03746
 14 Pt    0.00000   -0.02024    0.00818
 15 O    -0.00068    0.01095    0.00280
 16 O     0.00068    0.01095    0.00280
 17 O    -0.00000    0.01420   -1.18854
 18 O    -0.00000    0.00134    0.02703
 19 Pt    0.00000   -0.02139    0.14750
 20 Pt    0.00000   -0.05010    0.21529
 21 O    -0.21952    0.40846    0.24105
 22 O     0.21952    0.40846    0.24105
 23 O     0.00000   -0.01555   -0.08500
 24 O     0.00000   -0.00086    1.15008
 25 Pt   -0.00000    0.01767   -0.37903
 26 Pt    0.00000   -0.00011   -0.43545
 27 O    -1.69183    0.01333   -0.71781
 28 O     1.69183    0.01333   -0.71781
 29 O    -0.00000    0.04415   -1.38938
 30 O     0.00000   -0.00441    1.83202
 31 Pt   -0.00000    0.01944    0.51133
 32 Pt    0.00000   -0.13649    0.58398
 33 O    -1.61366   -0.01909    0.07049
 34 O     1.61366   -0.01909    0.07049
 35 O     0.00000   -0.03248   -0.52648
 36 O    -0.00000    0.23281   -0.12652
 37 Pt    0.00000   -0.35526   -0.04631
 38 Pt    0.00000   -0.00366   -0.01196
 39 O     0.01055    0.01140    0.01516
 40 O    -0.01055    0.01140    0.01516
 41 O    -0.00000    0.00303    0.02189
 42 O    -0.00000    0.03781   -0.01928
 43 Pt    0.00000   -0.00820    0.12281
 44 Pt    0.00000   -0.08562    0.01370
 45 O    -0.22098   -0.42628    0.24718
 46 O     0.22098   -0.42628    0.24718
 47 O     0.00000   -0.02392   -0.06382
 48 O    -0.00000    0.02238    1.17208
 49 Pt    0.00000   -0.02282   -0.37842
 50 Pt   -0.00000    0.02108   -0.43709
 51 O    -1.69124   -0.01393   -0.71788
 52 O     1.69124   -0.01393   -0.71788
 53 O     0.00000   -0.01001   -1.40531
 54 O     0.00000   -0.00205    1.77479
 55 Pt    0.00000   -0.01227    0.51682
 56 Pt   -0.00000    0.11850    0.65767
 57 O    -1.61425    0.01381    0.09064
 58 O     1.61425    0.01381    0.09064
 59 O     0.00000   -0.02129   -0.51766
 60 O     0.00000   -0.22504   -0.12252
 61 Pt   -0.00000    0.01796   -0.10115
 62 Pt   -0.00000    0.01722   -0.00659
 63 O    -0.01534   -0.00802    0.00263
 64 O     0.01534   -0.00802    0.00263
 65 O    -0.00000    0.00178    0.00094
 66 O     0.00000   -0.01645   -0.00678
 67 Pt   -0.00000    0.00690    0.03046
 68 Pt   -0.00000    0.14705    0.02751
 69 O    -0.01001   -0.00134   -0.02836
 70 O     0.01001   -0.00134   -0.02836
 71 O    -0.00000    0.00890   -0.05638
 72 N    -0.00000    0.28124    0.08232
 73 N     0.00000   -0.35620    0.11800

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.669386   24.518902    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.573861   24.624131    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:58:41  -2.32   +inf  -414.303088    4      1      
iter:   2  03:00:40  -3.11  -2.89  -414.874913    3      1      
iter:   3  03:02:42  -3.59  -2.20  -414.276145    3      1      
iter:   4  03:04:42  -4.21  -3.04  -414.271577    3      1      
iter:   5  03:06:43  -4.80  -3.64  -414.267685    3      1      
iter:   6  03:08:44  -4.36  -3.69  -414.262912    3      1      
iter:   7  03:10:44  -5.12  -3.71  -414.264464    1      1      
iter:   8  03:12:45  -4.64  -3.96  -414.264658    3      1      
iter:   9  03:14:48  -5.17  -4.24  -414.264873    3      1      
iter:  10  03:16:49  -5.82  -3.81  -414.265410    2      1      
iter:  11  03:18:51  -6.05  -3.85  -414.264055    3      1      
iter:  12  03:20:54  -6.16  -4.14  -414.264943    2      1      
iter:  13  03:22:55  -6.33  -4.32  -414.264688    2      1      
iter:  14  03:24:56  -6.54  -4.67  -414.264599    2      1      
iter:  15  03:26:57  -6.75  -4.68  -414.264559    2      1      
iter:  16  03:28:59  -7.07  -4.37  -414.264480    2      1      
iter:  17  03:31:01  -6.84  -4.69  -414.264807    2      1      
iter:  18  03:33:03  -7.07  -4.70  -414.264365    2      1      
iter:  19  03:34:59  -7.16  -4.73  -414.264612    2      1      
iter:  20  03:36:51  -7.36  -5.16  -414.264564    2      1      
iter:  21  03:38:44  -7.75  -5.44  -414.264583    2      1      

Converged after 21 iterations.

Dipole moment: (-55.963511, -32.492556, -0.014857) |e|*Ang

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

Kinetic:        +18.808652
Potential:     -137.728945
External:        +0.000000
XC:            -305.054810
Entropy (-ST):   -1.566381
Local:          +10.493711
--------------------------
Free energy:   -415.047774
Extrapolated:  -414.264583

Fermi level: -6.54687

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61213    0.14613
  0   340     -6.60067    0.14030
  0   341     -6.60005    0.13997
  0   342     -6.57359    0.12587

  1   339     -6.52070    0.19331
  1   340     -6.47272    0.14341
  1   341     -6.44127    0.11470
  1   342     -6.43534    0.10973



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17488
  1 Pt    0.00000   -0.00293   -0.37584
  2 Pt    0.00000   -0.01907   -0.43333
  3 O    -1.68339    0.00026   -0.71824
  4 O     1.68339    0.00026   -0.71824
  5 O     0.00000   -0.01130   -1.38655
  6 O     0.00000   -0.00275    1.76587
  7 Pt   -0.00000    0.01376    0.45110
  8 Pt    0.00000   -0.04087    0.75337
  9 O    -1.58079    0.00061    0.05100
 10 O     1.58079    0.00061    0.05100
 11 O     0.00000   -0.00884   -0.56767
 12 O    -0.00000    0.01015    0.13815
 13 Pt   -0.00000    0.31665   -0.03693
 14 Pt    0.00000   -0.02034    0.00885
 15 O    -0.00055    0.01091    0.00303
 16 O     0.00055    0.01091    0.00303
 17 O    -0.00000    0.01364   -1.18910
 18 O    -0.00000    0.00134    0.02750
 19 Pt    0.00000   -0.02122    0.14621
 20 Pt    0.00000   -0.04759    0.22084
 21 O    -0.21957    0.40925    0.24039
 22 O     0.21957    0.40925    0.24039
 23 O     0.00000   -0.01468   -0.08561
 24 O     0.00000   -0.00082    1.15072
 25 Pt   -0.00000    0.01767   -0.37861
 26 Pt    0.00000   -0.00008   -0.43434
 27 O    -1.69191    0.01333   -0.71758
 28 O     1.69191    0.01333   -0.71758
 29 O    -0.00000    0.04411   -1.38994
 30 O     0.00000   -0.00445    1.83210
 31 Pt   -0.00000    0.01944    0.51108
 32 Pt    0.00000   -0.13641    0.58399
 33 O    -1.61359   -0.01912    0.07008
 34 O     1.61359   -0.01912    0.07008
 35 O     0.00000   -0.03248   -0.52684
 36 O    -0.00000    0.23312   -0.12692
 37 Pt    0.00000   -0.35543   -0.04592
 38 Pt    0.00000   -0.00348   -0.01141
 39 O     0.01073    0.01143    0.01536
 40 O    -0.01073    0.01143    0.01536
 41 O    -0.00000    0.00344    0.02164
 42 O    -0.00000    0.03782   -0.01896
 43 Pt    0.00000   -0.00822    0.12504
 44 Pt    0.00000   -0.08718    0.01809
 45 O    -0.22327   -0.42675    0.25277
 46 O     0.22327   -0.42675    0.25277
 47 O     0.00000   -0.02503   -0.06495
 48 O    -0.00000    0.02236    1.17272
 49 Pt    0.00000   -0.02285   -0.37807
 50 Pt   -0.00000    0.02106   -0.43604
 51 O    -1.69135   -0.01392   -0.71764
 52 O     1.69135   -0.01392   -0.71764
 53 O     0.00000   -0.01000   -1.40582
 54 O     0.00000   -0.00204    1.77485
 55 Pt    0.00000   -0.01226    0.51665
 56 Pt   -0.00000    0.11848    0.65771
 57 O    -1.61414    0.01380    0.09026
 58 O     1.61414    0.01380    0.09026
 59 O     0.00000   -0.02128   -0.51794
 60 O     0.00000   -0.22520   -0.12282
 61 Pt   -0.00000    0.01750   -0.10079
 62 Pt   -0.00000    0.01714   -0.00604
 63 O    -0.01526   -0.00802    0.00282
 64 O     0.01526   -0.00802    0.00282
 65 O    -0.00000    0.00176    0.00137
 66 O     0.00000   -0.01646   -0.00664
 67 Pt   -0.00000    0.00669    0.02886
 68 Pt   -0.00000    0.14681    0.02488
 69 O    -0.01022   -0.00180   -0.02954
 70 O     0.01022   -0.00180   -0.02954
 71 O    -0.00000    0.00914   -0.05811
 72 N    -0.00000    0.56710    0.04427
 73 N     0.00000   -0.56658    0.04315

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   NN                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt 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    3.676927   24.479620    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.567162   24.601162    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:45:41  -2.34   +inf  -414.543721    4      1      
iter:   2  03:47:47  -2.45  -2.38  -420.447273    4      1      
iter:   3  03:49:52  -2.91  -1.75  -414.344923    3      1      
iter:   4  03:51:55  -3.56  -2.80  -414.278511    3      1      
iter:   5  03:53:57  -3.97  -3.15  -414.275641    3      1      
iter:   6  03:55:58  -4.23  -3.26  -414.264420    3      1      
iter:   7  03:57:59  -4.37  -3.46  -414.262398    3      1      
iter:   8  04:00:00  -4.53  -3.38  -414.256468    3      1      
iter:   9  04:01:57  -4.15  -3.67  -414.253292    3      1      
iter:  10  04:03:49  -4.64  -3.77  -414.252151    3      1      
iter:  11  04:05:40  -5.28  -3.90  -414.252818    3      1      
iter:  12  04:07:31  -5.37  -3.95  -414.251625    2      1      
iter:  13  04:09:21  -5.69  -4.05  -414.252302    3      1      
iter:  14  04:11:10  -5.99  -3.86  -414.252389    2      1      
iter:  15  04:12:58  -6.21  -4.18  -414.252347    3      1      
iter:  16  04:14:48  -6.10  -4.30  -414.252504    3      1      
iter:  17  04:16:37  -5.99  -4.19  -414.251998    3      1      
iter:  18  04:18:26  -6.46  -4.31  -414.252101    3      1      
iter:  19  04:20:15  -6.84  -4.48  -414.251944    2      1      
iter:  20  04:22:04  -6.81  -4.54  -414.251878    2      1      
iter:  21  04:23:52  -7.81  -4.72  -414.251927    2      1      

Converged after 21 iterations.

Dipole moment: (-55.963353, -32.493743, -0.012039) |e|*Ang

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

Kinetic:        +16.457433
Potential:     -135.860917
External:        +0.000000
XC:            -304.555716
Entropy (-ST):   -1.566351
Local:          +10.490449
--------------------------
Free energy:   -415.035102
Extrapolated:  -414.251927

Fermi level: -6.54460

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60980    0.14610
  0   340     -6.59840    0.14030
  0   341     -6.59777    0.13997
  0   342     -6.57111    0.12575

  1   339     -6.51845    0.19333
  1   340     -6.47048    0.14344
  1   341     -6.43877    0.11450
  1   342     -6.43302    0.10969



Forces in eV/Ang:
  0 O     0.00000   -0.01761    1.17679
  1 Pt    0.00000   -0.00293   -0.37462
  2 Pt    0.00000   -0.01906   -0.43241
  3 O    -1.68338    0.00027   -0.71726
  4 O     1.68338    0.00027   -0.71726
  5 O     0.00000   -0.01134   -1.38659
  6 O     0.00000   -0.00273    1.76401
  7 Pt   -0.00000    0.01376    0.45117
  8 Pt    0.00000   -0.04073    0.75351
  9 O    -1.58107    0.00060    0.05123
 10 O     1.58107    0.00060    0.05123
 11 O     0.00000   -0.00882   -0.56722
 12 O    -0.00000    0.01032    0.13878
 13 Pt   -0.00000    0.31649   -0.03629
 14 Pt    0.00000   -0.02026    0.00909
 15 O    -0.00058    0.01091    0.00344
 16 O     0.00058    0.01091    0.00344
 17 O    -0.00000    0.01397   -1.18658
 18 O    -0.00000    0.00171    0.02798
 19 Pt    0.00000   -0.02173    0.13897
 20 Pt    0.00000   -0.04508    0.21922
 21 O    -0.22033    0.40886    0.23392
 22 O     0.22033    0.40886    0.23392
 23 O     0.00000   -0.01640   -0.09095
 24 O     0.00000   -0.00084    1.15261
 25 Pt   -0.00000    0.01767   -0.37741
 26 Pt    0.00000   -0.00008   -0.43343
 27 O    -1.69191    0.01333   -0.71659
 28 O     1.69191    0.01333   -0.71659
 29 O    -0.00000    0.04414   -1.38996
 30 O     0.00000   -0.00444    1.83026
 31 Pt   -0.00000    0.01944    0.51111
 32 Pt    0.00000   -0.13653    0.58411
 33 O    -1.61392   -0.01910    0.07031
 34 O     1.61392   -0.01910    0.07031
 35 O     0.00000   -0.03246   -0.52644
 36 O    -0.00000    0.23307   -0.12629
 37 Pt    0.00000   -0.35590   -0.04480
 38 Pt    0.00000   -0.00358   -0.01115
 39 O     0.01070    0.01142    0.01596
 40 O    -0.01070    0.01142    0.01596
 41 O    -0.00000    0.00334    0.02562
 42 O    -0.00000    0.03745   -0.01822
 43 Pt    0.00000   -0.00798    0.11639
 44 Pt    0.00000   -0.09028    0.01433
 45 O    -0.22300   -0.42730    0.24208
 46 O     0.22300   -0.42730    0.24208
 47 O     0.00000   -0.02322   -0.07075
 48 O    -0.00000    0.02235    1.17461
 49 Pt    0.00000   -0.02284   -0.37686
 50 Pt   -0.00000    0.02106   -0.43509
 51 O    -1.69133   -0.01392   -0.71666
 52 O     1.69133   -0.01392   -0.71666
 53 O     0.00000   -0.00999   -1.40591
 54 O     0.00000   -0.00208    1.77296
 55 Pt    0.00000   -0.01226    0.51670
 56 Pt   -0.00000    0.11846    0.65791
 57 O    -1.61444    0.01380    0.09049
 58 O     1.61444    0.01380    0.09049
 59 O     0.00000   -0.02131   -0.51751
 60 O     0.00000   -0.22527   -0.12222
 61 Pt   -0.00000    0.01796   -0.10024
 62 Pt   -0.00000    0.01716   -0.00605
 63 O    -0.01525   -0.00801    0.00324
 64 O     0.01525   -0.00801    0.00324
 65 O    -0.00000    0.00185    0.00214
 66 O     0.00000   -0.01652   -0.00596
 67 Pt   -0.00000    0.00703    0.02133
 68 Pt   -0.00000    0.14629    0.01523
 69 O    -0.01078   -0.00079   -0.03616
 70 O     0.01078   -0.00079   -0.03616
 71 O    -0.00000    0.00894   -0.06365
 72 N     0.00000   -1.56860    0.28499
 73 N    -0.00000    1.58650   -0.11615

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.670334   24.515765    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.571360   24.620057    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:38:04  -2.47   +inf  -414.598324    4      1      
iter:   2  04:39:54  -2.45  -2.39  -420.394893    4      1      
iter:   3  04:41:42  -2.82  -1.76  -414.349435    4      1      
iter:   4  04:43:31  -3.42  -2.60  -414.308219    4      1      
iter:   5  04:45:21  -4.13  -2.95  -414.281847    3      1      
iter:   6  04:47:12  -4.20  -3.23  -414.272419    3      1      
iter:   7  04:49:03  -4.53  -3.56  -414.271896    3      1      
iter:   8  04:50:54  -4.50  -3.35  -414.276763    3      1      
iter:   9  04:52:43  -4.42  -3.23  -414.266158    3      1      
iter:  10  04:54:32  -4.51  -3.79  -414.266407    3      1      
iter:  11  04:56:23  -5.15  -3.92  -414.265607    3      1      
iter:  12  04:58:13  -5.55  -3.94  -414.266046    3      1      
iter:  13  05:00:02  -5.69  -4.05  -414.265414    3      1      
iter:  14  05:01:50  -5.95  -4.08  -414.265707    3      1      
iter:  15  05:03:39  -5.91  -3.85  -414.265522    2      1      
iter:  16  05:05:28  -6.07  -4.31  -414.265234    3      1      
iter:  17  05:07:17  -6.36  -4.46  -414.265392    2      1      
iter:  18  05:09:06  -6.75  -4.59  -414.265243    2      1      
iter:  19  05:10:55  -6.96  -4.62  -414.265377    2      1      
iter:  20  05:12:44  -7.14  -4.71  -414.265368    2      1      
iter:  21  05:14:34  -7.23  -4.27  -414.265349    2      1      
iter:  22  05:16:23  -7.56  -4.73  -414.265399    2      1      

Converged after 22 iterations.

Dipole moment: (-55.963428, -32.490902, -0.019732) |e|*Ang

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

Kinetic:        +18.282961
Potential:     -137.307142
External:        +0.000000
XC:            -304.952145
Entropy (-ST):   -1.566353
Local:          +10.494103
--------------------------
Free energy:   -415.048576
Extrapolated:  -414.265399

Fermi level: -6.55063

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61591    0.14614
  0   340     -6.60442    0.14030
  0   341     -6.60380    0.13997
  0   342     -6.57732    0.12585

  1   339     -6.52445    0.19330
  1   340     -6.47648    0.14341
  1   341     -6.44498    0.11466
  1   342     -6.43910    0.10973



Forces in eV/Ang:
  0 O     0.00000   -0.01761    1.17517
  1 Pt    0.00000   -0.00293   -0.37566
  2 Pt    0.00000   -0.01907   -0.43282
  3 O    -1.68391    0.00027   -0.71816
  4 O     1.68391    0.00027   -0.71816
  5 O     0.00000   -0.01132   -1.38642
  6 O     0.00000   -0.00279    1.76466
  7 Pt   -0.00000    0.01381    0.45125
  8 Pt    0.00000   -0.04088    0.75320
  9 O    -1.58117    0.00062    0.05094
 10 O     1.58117    0.00062    0.05094
 11 O     0.00000   -0.00884   -0.56709
 12 O    -0.00000    0.01012    0.13815
 13 Pt   -0.00000    0.31649   -0.03684
 14 Pt    0.00000   -0.02028    0.00883
 15 O    -0.00092    0.01101    0.00326
 16 O     0.00092    0.01101    0.00326
 17 O    -0.00000    0.01364   -1.18792
 18 O    -0.00000    0.00142    0.02743
 19 Pt    0.00000   -0.02068    0.14588
 20 Pt    0.00000   -0.04726    0.21564
 21 O    -0.21990    0.40960    0.23968
 22 O     0.21990    0.40960    0.23968
 23 O     0.00000   -0.01478   -0.08755
 24 O     0.00000   -0.00083    1.15101
 25 Pt   -0.00000    0.01767   -0.37843
 26 Pt    0.00000   -0.00008   -0.43382
 27 O    -1.69244    0.01333   -0.71751
 28 O     1.69244    0.01333   -0.71751
 29 O    -0.00000    0.04412   -1.38983
 30 O     0.00000   -0.00438    1.83087
 31 Pt   -0.00000    0.01941    0.51126
 32 Pt    0.00000   -0.13640    0.58383
 33 O    -1.61396   -0.01912    0.07001
 34 O     1.61396   -0.01912    0.07001
 35 O     0.00000   -0.03245   -0.52633
 36 O    -0.00000    0.23330   -0.12699
 37 Pt    0.00000   -0.35543   -0.04595
 38 Pt    0.00000   -0.00353   -0.01134
 39 O     0.01028    0.01133    0.01563
 40 O    -0.01028    0.01133    0.01563
 41 O    -0.00000    0.00346    0.02196
 42 O    -0.00000    0.03808   -0.01899
 43 Pt    0.00000   -0.00847    0.12434
 44 Pt    0.00000   -0.08717    0.01275
 45 O    -0.22393   -0.42703    0.25272
 46 O     0.22393   -0.42703    0.25272
 47 O     0.00000   -0.02466   -0.06717
 48 O    -0.00000    0.02235    1.17301
 49 Pt    0.00000   -0.02285   -0.37789
 50 Pt   -0.00000    0.02107   -0.43551
 51 O    -1.69186   -0.01392   -0.71757
 52 O     1.69186   -0.01392   -0.71757
 53 O     0.00000   -0.01000   -1.40572
 54 O     0.00000   -0.00207    1.77361
 55 Pt    0.00000   -0.01228    0.51676
 56 Pt   -0.00000    0.11848    0.65752
 57 O    -1.61451    0.01379    0.09020
 58 O     1.61451    0.01379    0.09020
 59 O     0.00000   -0.02131   -0.51744
 60 O     0.00000   -0.22533   -0.12293
 61 Pt   -0.00000    0.01764   -0.10066
 62 Pt   -0.00000    0.01712   -0.00584
 63 O    -0.01553   -0.00802    0.00311
 64 O     0.01553   -0.00802    0.00311
 65 O    -0.00000    0.00172    0.00218
 66 O     0.00000   -0.01679   -0.00646
 67 Pt   -0.00000    0.00638    0.02813
 68 Pt   -0.00000    0.14646    0.02242
 69 O    -0.01052   -0.00192   -0.03039
 70 O     0.01052   -0.00192   -0.03039
 71 O    -0.00000    0.00888   -0.05954
 72 N    -0.00000    0.10826    0.12987
 73 N     0.00000   -0.10384    0.00780

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.669338   24.526049    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.570728   24.625329    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:27:17  -3.61   +inf  -414.271929    3      1      
iter:   2  05:29:07  -4.08  -3.27  -414.393042    3      1      
iter:   3  05:30:58  -4.26  -2.54  -414.265890    3      1      
iter:   4  05:32:49  -5.08  -4.00  -414.266753    2      1      
iter:   5  05:34:41  -5.56  -4.32  -414.265795    3      1      
iter:   6  05:36:31  -5.47  -4.25  -414.265890    3      1      
iter:   7  05:38:20  -5.99  -4.42  -414.266178    2      1      
iter:   8  05:40:09  -6.16  -4.84  -414.266103    2      1      
iter:   9  05:41:58  -6.53  -4.83  -414.266179    2      1      
iter:  10  05:43:46  -6.99  -4.79  -414.266169    2      1      
iter:  11  05:45:35  -7.62  -4.66  -414.266113    2      1      

Converged after 11 iterations.

Dipole moment: (-55.963462, -32.492295, -0.016212) |e|*Ang

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

Kinetic:        +18.440038
Potential:     -137.444023
External:        +0.000000
XC:            -304.973216
Entropy (-ST):   -1.566443
Local:          +10.494309
--------------------------
Free energy:   -415.049335
Extrapolated:  -414.266113

Fermi level: -6.54784

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61321    0.14619
  0   340     -6.60160    0.14028
  0   341     -6.60096    0.13995
  0   342     -6.57459    0.12589

  1   339     -6.52162    0.19326
  1   340     -6.47364    0.14337
  1   341     -6.44225    0.11471
  1   342     -6.43635    0.10976



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17566
  1 Pt    0.00000   -0.00294   -0.37529
  2 Pt    0.00000   -0.01906   -0.43238
  3 O    -1.68347    0.00026   -0.71815
  4 O     1.68347    0.00026   -0.71815
  5 O     0.00000   -0.01130   -1.38625
  6 O     0.00000   -0.00276    1.76614
  7 Pt   -0.00000    0.01371    0.45156
  8 Pt    0.00000   -0.04090    0.75387
  9 O    -1.58076    0.00057    0.05165
 10 O     1.58076    0.00057    0.05165
 11 O     0.00000   -0.00884   -0.56662
 12 O    -0.00000    0.01007    0.13929
 13 Pt   -0.00000    0.31659   -0.03642
 14 Pt    0.00000   -0.02032    0.00906
 15 O    -0.00045    0.01086    0.00367
 16 O     0.00045    0.01086    0.00367
 17 O    -0.00000    0.01359   -1.18964
 18 O    -0.00000    0.00139    0.02861
 19 Pt    0.00000   -0.02116    0.14391
 20 Pt    0.00000   -0.04590    0.22133
 21 O    -0.21938    0.40899    0.23988
 22 O     0.21938    0.40899    0.23988
 23 O     0.00000   -0.01505   -0.08912
 24 O     0.00000   -0.00083    1.15150
 25 Pt   -0.00000    0.01769   -0.37806
 26 Pt    0.00000   -0.00009   -0.43339
 27 O    -1.69199    0.01334   -0.71748
 28 O     1.69199    0.01334   -0.71748
 29 O    -0.00000    0.04410   -1.38963
 30 O     0.00000   -0.00451    1.83239
 31 Pt   -0.00000    0.01947    0.51155
 32 Pt    0.00000   -0.13642    0.58439
 33 O    -1.61355   -0.01910    0.07073
 34 O     1.61355   -0.01910    0.07073
 35 O     0.00000   -0.03250   -0.52574
 36 O    -0.00000    0.23306   -0.12570
 37 Pt    0.00000   -0.35518   -0.04540
 38 Pt    0.00000   -0.00352   -0.01126
 39 O     0.01085    0.01150    0.01607
 40 O    -0.01085    0.01150    0.01607
 41 O    -0.00000    0.00336    0.01987
 42 O    -0.00000    0.03755   -0.01777
 43 Pt    0.00000   -0.00819    0.12315
 44 Pt    0.00000   -0.08860    0.01745
 45 O    -0.22367   -0.42639    0.25432
 46 O     0.22367   -0.42639    0.25432
 47 O     0.00000   -0.02474   -0.06854
 48 O    -0.00000    0.02236    1.17350
 49 Pt    0.00000   -0.02286   -0.37752
 50 Pt   -0.00000    0.02107   -0.43508
 51 O    -1.69142   -0.01393   -0.71754
 52 O     1.69142   -0.01393   -0.71754
 53 O     0.00000   -0.01000   -1.40550
 54 O     0.00000   -0.00198    1.77519
 55 Pt    0.00000   -0.01223    0.51716
 56 Pt   -0.00000    0.11852    0.65814
 57 O    -1.61412    0.01382    0.09091
 58 O     1.61412    0.01382    0.09091
 59 O     0.00000   -0.02126   -0.51681
 60 O     0.00000   -0.22507   -0.12168
 61 Pt   -0.00000    0.01730   -0.10024
 62 Pt   -0.00000    0.01716   -0.00597
 63 O    -0.01523   -0.00803    0.00349
 64 O     0.01523   -0.00803    0.00349
 65 O    -0.00000    0.00180    0.00043
 66 O     0.00000   -0.01625   -0.00542
 67 Pt   -0.00000    0.00657    0.02651
 68 Pt   -0.00000    0.14687    0.02070
 69 O    -0.01021   -0.00179   -0.03004
 70 O     0.01021   -0.00179   -0.03004
 71 O    -0.00000    0.00919   -0.06127
 72 N    -0.00000    0.16978    0.02336
 73 N     0.00000   -0.22858   -0.02300

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.668408   24.538065    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.568514   24.628336    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:57:13  -3.52   +inf  -414.269709    2      1      
iter:   2  05:59:03  -4.17  -3.42  -414.327703    2      1      
iter:   3  06:00:52  -4.48  -2.70  -414.268680    2      1      
iter:   4  06:02:40  -5.09  -4.14  -414.267490    3      1      
iter:   5  06:04:28  -5.35  -4.18  -414.268026    2      1      
iter:   6  06:06:17  -5.36  -4.31  -414.267806    2      1      
iter:   7  06:08:06  -5.83  -4.56  -414.267785    2      1      
iter:   8  06:09:56  -6.25  -4.63  -414.267673    2      1      
iter:   9  06:11:47  -6.65  -4.39  -414.267633    2      1      
iter:  10  06:13:38  -7.00  -4.78  -414.267859    2      1      
iter:  11  06:15:30  -7.36  -4.79  -414.267643    2      1      
iter:  12  06:17:21  -7.79  -4.98  -414.267774    2      1      

Converged after 12 iterations.

Dipole moment: (-55.963513, -32.493154, -0.015440) |e|*Ang

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

Kinetic:        +18.260990
Potential:     -137.291793
External:        +0.000000
XC:            -304.947039
Entropy (-ST):   -1.566311
Local:          +10.493223
--------------------------
Free energy:   -415.050930
Extrapolated:  -414.267774

Fermi level: -6.54742

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61267    0.14613
  0   340     -6.60127    0.14033
  0   341     -6.60065    0.14000
  0   342     -6.57413    0.12586

  1   339     -6.52118    0.19323
  1   340     -6.47333    0.14347
  1   341     -6.44183    0.11471
  1   342     -6.43590    0.10973



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17504
  1 Pt    0.00000   -0.00292   -0.37595
  2 Pt    0.00000   -0.01907   -0.43339
  3 O    -1.68316    0.00026   -0.71830
  4 O     1.68316    0.00026   -0.71830
  5 O     0.00000   -0.01125   -1.38621
  6 O     0.00000   -0.00268    1.76686
  7 Pt   -0.00000    0.01375    0.45212
  8 Pt    0.00000   -0.04084    0.75413
  9 O    -1.58038    0.00065    0.05154
 10 O     1.58038    0.00065    0.05154
 11 O     0.00000   -0.00880   -0.56680
 12 O    -0.00000    0.00998    0.13873
 13 Pt   -0.00000    0.31653   -0.03553
 14 Pt    0.00000   -0.02049    0.00941
 15 O    -0.00033    0.01077    0.00351
 16 O     0.00033    0.01077    0.00351
 17 O    -0.00000    0.01337   -1.18570
 18 O    -0.00000    0.00142    0.02778
 19 Pt    0.00000   -0.02120    0.14638
 20 Pt    0.00000   -0.04515    0.22739
 21 O    -0.21974    0.40921    0.23988
 22 O     0.21974    0.40921    0.23988
 23 O     0.00000   -0.01450   -0.08650
 24 O     0.00000   -0.00080    1.15087
 25 Pt   -0.00000    0.01768   -0.37864
 26 Pt    0.00000   -0.00009   -0.43439
 27 O    -1.69168    0.01334   -0.71762
 28 O     1.69168    0.01334   -0.71762
 29 O    -0.00000    0.04407   -1.38962
 30 O     0.00000   -0.00456    1.83314
 31 Pt   -0.00000    0.01946    0.51200
 32 Pt    0.00000   -0.13652    0.58468
 33 O    -1.61320   -0.01912    0.07060
 34 O     1.61320   -0.01912    0.07060
 35 O     0.00000   -0.03253   -0.52591
 36 O    -0.00000    0.23313   -0.12620
 37 Pt    0.00000   -0.35488   -0.04438
 38 Pt    0.00000   -0.00329   -0.01093
 39 O     0.01102    0.01149    0.01587
 40 O    -0.01102    0.01149    0.01587
 41 O    -0.00000    0.00364    0.02274
 42 O    -0.00000    0.03764   -0.01869
 43 Pt    0.00000   -0.00844    0.12720
 44 Pt    0.00000   -0.08928    0.02409
 45 O    -0.22440   -0.42633    0.25511
 46 O     0.22440   -0.42633    0.25511
 47 O     0.00000   -0.02517   -0.06558
 48 O    -0.00000    0.02235    1.17287
 49 Pt    0.00000   -0.02286   -0.37819
 50 Pt   -0.00000    0.02107   -0.43613
 51 O    -1.69111   -0.01392   -0.71770
 52 O     1.69111   -0.01392   -0.71770
 53 O     0.00000   -0.01000   -1.40555
 54 O     0.00000   -0.00200    1.77588
 55 Pt    0.00000   -0.01226    0.51772
 56 Pt   -0.00000    0.11855    0.65858
 57 O    -1.61370    0.01376    0.09082
 58 O     1.61370    0.01376    0.09082
 59 O     0.00000   -0.02128   -0.51688
 60 O     0.00000   -0.22504   -0.12199
 61 Pt   -0.00000    0.01709   -0.09935
 62 Pt   -0.00000    0.01711   -0.00551
 63 O    -0.01507   -0.00792    0.00326
 64 O     0.01507   -0.00792    0.00326
 65 O    -0.00000    0.00168    0.00268
 66 O     0.00000   -0.01637   -0.00637
 67 Pt   -0.00000    0.00680    0.02916
 68 Pt   -0.00000    0.14717    0.02370
 69 O    -0.01048   -0.00198   -0.02968
 70 O     0.01048   -0.00198   -0.02968
 71 O    -0.00000    0.00909   -0.05950
 72 N    -0.00000    0.10982    0.11200
 73 N     0.00000   -0.17708   -0.03429

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.665032   24.577922    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.562528   24.639642    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:29:32  -2.49   +inf  -414.274977    3      1      
iter:   2  06:31:21  -3.27  -3.13  -414.489051    3      1      
iter:   3  06:33:10  -3.73  -2.44  -414.277251    3      1      
iter:   4  06:34:59  -4.21  -3.55  -414.272687    3      1      
iter:   5  06:36:49  -4.30  -3.66  -414.272164    2      1      
iter:   6  06:38:39  -4.40  -3.61  -414.272186    3      1      
iter:   7  06:40:31  -4.98  -4.13  -414.271684    3      1      
iter:   8  06:42:23  -5.18  -4.19  -414.271832    3      1      
iter:   9  06:44:14  -5.41  -4.39  -414.271613    2      1      
iter:  10  06:46:05  -6.06  -4.47  -414.272023    2      1      
iter:  11  06:47:57  -6.61  -4.51  -414.271639    2      1      
iter:  12  06:49:48  -6.90  -4.43  -414.271780    2      1      
iter:  13  06:51:39  -6.78  -4.24  -414.272046    2      1      
iter:  14  06:53:31  -6.92  -4.58  -414.271904    2      1      
iter:  15  06:55:22  -7.14  -4.95  -414.271874    2      1      
iter:  16  06:57:13  -7.63  -5.21  -414.271829    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963525, -32.493754, -0.017183) |e|*Ang

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

Kinetic:        +18.173137
Potential:     -137.237008
External:        +0.000000
XC:            -304.918095
Entropy (-ST):   -1.566463
Local:          +10.493369
--------------------------
Free energy:   -415.055061
Extrapolated:  -414.271829

Fermi level: -6.54888

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61443    0.14628
  0   340     -6.60269    0.14031
  0   341     -6.60207    0.13998
  0   342     -6.57573    0.12594

  1   339     -6.52272    0.19332
  1   340     -6.47471    0.14340
  1   341     -6.44344    0.11484
  1   342     -6.43746    0.10982



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17470
  1 Pt    0.00000   -0.00293   -0.37586
  2 Pt    0.00000   -0.01902   -0.43403
  3 O    -1.68308    0.00031   -0.71851
  4 O     1.68308    0.00031   -0.71851
  5 O     0.00000   -0.01128   -1.38665
  6 O     0.00000   -0.00291    1.76613
  7 Pt   -0.00000    0.01373    0.45137
  8 Pt    0.00000   -0.04118    0.75386
  9 O    -1.58108    0.00048    0.05119
 10 O     1.58108    0.00048    0.05119
 11 O     0.00000   -0.00889   -0.56734
 12 O    -0.00000    0.00986    0.13819
 13 Pt   -0.00000    0.31647   -0.03686
 14 Pt    0.00000   -0.02005    0.00907
 15 O    -0.00067    0.01110    0.00336
 16 O     0.00067    0.01110    0.00336
 17 O    -0.00000    0.01356   -1.18861
 18 O    -0.00000    0.00132    0.02762
 19 Pt    0.00000   -0.02103    0.14531
 20 Pt    0.00000   -0.04725    0.21970
 21 O    -0.21973    0.40887    0.23988
 22 O     0.21973    0.40887    0.23988
 23 O     0.00000   -0.01582   -0.08770
 24 O     0.00000   -0.00088    1.15054
 25 Pt   -0.00000    0.01768   -0.37874
 26 Pt    0.00000   -0.00016   -0.43499
 27 O    -1.69165    0.01333   -0.71788
 28 O     1.69165    0.01333   -0.71788
 29 O    -0.00000    0.04413   -1.38999
 30 O     0.00000   -0.00429    1.83242
 31 Pt   -0.00000    0.01943    0.51148
 32 Pt    0.00000   -0.13621    0.58426
 33 O    -1.61376   -0.01906    0.07034
 34 O     1.61376   -0.01906    0.07034
 35 O     0.00000   -0.03243   -0.52657
 36 O    -0.00000    0.23288   -0.12676
 37 Pt    0.00000   -0.35396   -0.04577
 38 Pt    0.00000   -0.00378   -0.01108
 39 O     0.01049    0.01138    0.01591
 40 O    -0.01049    0.01138    0.01591
 41 O    -0.00000    0.00316    0.01659
 42 O    -0.00000    0.03779   -0.01869
 43 Pt    0.00000   -0.00861    0.12322
 44 Pt    0.00000   -0.08613    0.01800
 45 O    -0.22328   -0.42577    0.25351
 46 O     0.22328   -0.42577    0.25351
 47 O     0.00000   -0.02377   -0.06599
 48 O    -0.00000    0.02238    1.17255
 49 Pt    0.00000   -0.02286   -0.37806
 50 Pt   -0.00000    0.02109   -0.43661
 51 O    -1.69102   -0.01396   -0.71791
 52 O     1.69102   -0.01396   -0.71791
 53 O     0.00000   -0.01004   -1.40567
 54 O     0.00000   -0.00205    1.77556
 55 Pt    0.00000   -0.01221    0.51689
 56 Pt   -0.00000    0.11857    0.65786
 57 O    -1.61444    0.01389    0.09045
 58 O     1.61444    0.01389    0.09045
 59 O     0.00000   -0.02128   -0.51795
 60 O     0.00000   -0.22471   -0.12299
 61 Pt   -0.00000    0.01631   -0.10030
 62 Pt   -0.00000    0.01717   -0.00592
 63 O    -0.01538   -0.00816    0.00315
 64 O     0.01538   -0.00816    0.00315
 65 O    -0.00000    0.00163    0.00208
 66 O     0.00000   -0.01641   -0.00638
 67 Pt   -0.00000    0.00676    0.02823
 68 Pt   -0.00000    0.14723    0.02388
 69 O    -0.01046   -0.00186   -0.02980
 70 O     0.01046   -0.00186   -0.02980
 71 O    -0.00000    0.00898   -0.05909
 72 N    -0.00000    0.14197    0.07931
 73 N     0.00000   -0.08758    0.00454

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.661604   24.617775    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.556387   24.650449    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:11:28  -2.50   +inf  -414.277688    3      1      
iter:   2  07:13:17  -3.28  -3.19  -414.442001    3      1      
iter:   3  07:15:04  -3.75  -2.49  -414.277513    2      1      
iter:   4  07:16:52  -4.17  -3.77  -414.273926    3      1      
iter:   5  07:18:39  -4.33  -3.61  -414.276084    3      1      
iter:   6  07:20:28  -4.41  -3.80  -414.274697    3      1      
iter:   7  07:22:16  -4.97  -4.17  -414.274317    2      1      
iter:   8  07:24:04  -5.15  -4.35  -414.274601    2      1      
iter:   9  07:25:53  -5.53  -4.05  -414.274146    2      1      
iter:  10  07:27:42  -6.01  -4.22  -414.274282    2      1      
iter:  11  07:29:31  -6.46  -4.59  -414.274357    2      1      
iter:  12  07:31:18  -6.84  -4.67  -414.274171    2      1      
iter:  13  07:33:06  -6.85  -4.50  -414.274671    2      1      
iter:  14  07:34:53  -6.92  -4.63  -414.274335    2      1      
iter:  15  07:36:41  -6.99  -4.97  -414.274434    2      1      
iter:  16  07:38:28  -7.42  -4.89  -414.274397    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963537, -32.494688, -0.018141) |e|*Ang

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

Kinetic:        +17.930703
Potential:     -137.055356
External:        +0.000000
XC:            -304.860984
Entropy (-ST):   -1.566435
Local:          +10.494458
--------------------------
Free energy:   -415.057615
Extrapolated:  -414.274397

Fermi level: -6.54985

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61565    0.14640
  0   340     -6.60361    0.14028
  0   341     -6.60296    0.13994
  0   342     -6.57681    0.12600

  1   339     -6.52359    0.19321
  1   340     -6.47564    0.14335
  1   341     -6.44450    0.11491
  1   342     -6.43849    0.10986



Forces in eV/Ang:
  0 O     0.00000   -0.01757    1.17493
  1 Pt    0.00000   -0.00286   -0.37619
  2 Pt    0.00000   -0.01901   -0.43393
  3 O    -1.68353    0.00031   -0.71838
  4 O     1.68353    0.00031   -0.71838
  5 O     0.00000   -0.01125   -1.38671
  6 O     0.00000   -0.00285    1.76449
  7 Pt   -0.00000    0.01370    0.45061
  8 Pt    0.00000   -0.04124    0.75351
  9 O    -1.58086    0.00050    0.05106
 10 O     1.58086    0.00050    0.05106
 11 O     0.00000   -0.00892   -0.56781
 12 O    -0.00000    0.00954    0.13798
 13 Pt   -0.00000    0.31624   -0.03716
 14 Pt    0.00000   -0.02019    0.00903
 15 O    -0.00029    0.01097    0.00332
 16 O     0.00029    0.01097    0.00332
 17 O    -0.00000    0.01323   -1.18890
 18 O    -0.00000    0.00124    0.02784
 19 Pt    0.00000   -0.02088    0.14476
 20 Pt    0.00000   -0.04651    0.21984
 21 O    -0.21961    0.40888    0.23923
 22 O     0.21961    0.40888    0.23923
 23 O     0.00000   -0.01605   -0.08873
 24 O     0.00000   -0.00088    1.15077
 25 Pt   -0.00000    0.01766   -0.37903
 26 Pt    0.00000   -0.00015   -0.43489
 27 O    -1.69208    0.01333   -0.71774
 28 O     1.69208    0.01333   -0.71774
 29 O    -0.00000    0.04413   -1.39010
 30 O     0.00000   -0.00435    1.83074
 31 Pt   -0.00000    0.01942    0.51061
 32 Pt    0.00000   -0.13623    0.58386
 33 O    -1.61352   -0.01907    0.07013
 34 O     1.61352   -0.01907    0.07013
 35 O     0.00000   -0.03239   -0.52697
 36 O    -0.00000    0.23299   -0.12684
 37 Pt    0.00000   -0.35304   -0.04595
 38 Pt    0.00000   -0.00360   -0.01109
 39 O     0.01092    0.01143    0.01584
 40 O    -0.01092    0.01143    0.01584
 41 O    -0.00000    0.00323    0.01280
 42 O    -0.00000    0.03776   -0.01850
 43 Pt    0.00000   -0.00893    0.12329
 44 Pt    0.00000   -0.08613    0.01880
 45 O    -0.22368   -0.42525    0.25450
 46 O     0.22368   -0.42525    0.25450
 47 O     0.00000   -0.02360   -0.06636
 48 O    -0.00000    0.02236    1.17277
 49 Pt    0.00000   -0.02291   -0.37840
 50 Pt   -0.00000    0.02108   -0.43656
 51 O    -1.69148   -0.01396   -0.71779
 52 O     1.69148   -0.01396   -0.71779
 53 O     0.00000   -0.01007   -1.40578
 54 O     0.00000   -0.00204    1.77380
 55 Pt    0.00000   -0.01218    0.51615
 56 Pt   -0.00000    0.11866    0.65756
 57 O    -1.61420    0.01387    0.09034
 58 O     1.61420    0.01387    0.09034
 59 O     0.00000   -0.02129   -0.51813
 60 O     0.00000   -0.22452   -0.12297
 61 Pt   -0.00000    0.01572   -0.10036
 62 Pt   -0.00000    0.01709   -0.00600
 63 O    -0.01505   -0.00805    0.00312
 64 O     0.01505   -0.00805    0.00312
 65 O    -0.00000    0.00157    0.00040
 66 O     0.00000   -0.01633   -0.00636
 67 Pt   -0.00000    0.00687    0.02784
 68 Pt   -0.00000    0.14751    0.02236
 69 O    -0.01037   -0.00219   -0.03037
 70 O     0.01037   -0.00219   -0.03037
 71 O    -0.00000    0.00896   -0.05970
 72 N     0.00000   -0.15207    0.04371
 73 N    -0.00000    0.11627    0.07241

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.657831   24.657597    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.550635   24.662826    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:58:18  -2.49   +inf  -414.275595    3      1      
iter:   2  08:00:05  -3.36  -3.53  -414.284494    3      1      
iter:   3  08:01:52  -3.87  -3.32  -414.283745    3      1      
iter:   4  08:03:40  -4.29  -3.25  -414.277394    3      1      
iter:   5  08:05:29  -4.33  -3.72  -414.278313    2      1      
iter:   6  08:07:18  -4.37  -3.85  -414.277048    3      1      
iter:   7  08:09:05  -4.94  -4.12  -414.277349    2      1      
iter:   8  08:10:53  -5.16  -4.16  -414.276790    3      1      
iter:   9  08:12:40  -5.72  -4.20  -414.277567    2      1      
iter:  10  08:14:28  -6.10  -3.97  -414.276969    2      1      
iter:  11  08:16:16  -6.60  -4.50  -414.276864    2      1      
iter:  12  08:18:05  -6.74  -4.43  -414.277257    2      1      
iter:  13  08:19:53  -7.03  -4.63  -414.276940    2      1      
iter:  14  08:21:41  -7.11  -4.68  -414.277037    2      1      
iter:  15  08:23:29  -7.23  -5.06  -414.276977    2      1      
iter:  16  08:25:17  -7.97  -5.05  -414.277042    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963557, -32.495539, -0.019000) |e|*Ang

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

Kinetic:        +17.646104
Potential:     -136.834080
External:        +0.000000
XC:            -304.800644
Entropy (-ST):   -1.566338
Local:          +10.494747
--------------------------
Free energy:   -415.060211
Extrapolated:  -414.277042

Fermi level: -6.55101

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61711    0.14655
  0   340     -6.60465    0.14022
  0   341     -6.60396    0.13986
  0   342     -6.57808    0.12606

  1   339     -6.52456    0.19300
  1   340     -6.47671    0.14326
  1   341     -6.44574    0.11498
  1   342     -6.43968    0.10989



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17518
  1 Pt    0.00000   -0.00290   -0.37662
  2 Pt    0.00000   -0.01906   -0.43429
  3 O    -1.68479    0.00027   -0.71823
  4 O     1.68479    0.00027   -0.71823
  5 O     0.00000   -0.01118   -1.38612
  6 O     0.00000   -0.00276    1.76080
  7 Pt   -0.00000    0.01374    0.44976
  8 Pt    0.00000   -0.04119    0.75285
  9 O    -1.58080    0.00058    0.05095
 10 O     1.58080    0.00058    0.05095
 11 O     0.00000   -0.00882   -0.56762
 12 O    -0.00000    0.00941    0.13781
 13 Pt   -0.00000    0.31618   -0.03773
 14 Pt    0.00000   -0.02034    0.00844
 15 O    -0.00016    0.01092    0.00304
 16 O     0.00016    0.01092    0.00304
 17 O    -0.00000    0.01278   -1.18932
 18 O    -0.00000    0.00120    0.02798
 19 Pt    0.00000   -0.02077    0.14548
 20 Pt    0.00000   -0.04534    0.22343
 21 O    -0.21948    0.40874    0.23931
 22 O     0.21948    0.40874    0.23931
 23 O     0.00000   -0.01578   -0.08857
 24 O     0.00000   -0.00082    1.15103
 25 Pt   -0.00000    0.01768   -0.37936
 26 Pt    0.00000   -0.00011   -0.43525
 27 O    -1.69331    0.01334   -0.71757
 28 O     1.69331    0.01334   -0.71757
 29 O    -0.00000    0.04409   -1.38956
 30 O     0.00000   -0.00448    1.82699
 31 Pt   -0.00000    0.01941    0.50975
 32 Pt    0.00000   -0.13636    0.58314
 33 O    -1.61350   -0.01909    0.07007
 34 O     1.61350   -0.01909    0.07007
 35 O     0.00000   -0.03251   -0.52680
 36 O    -0.00000    0.23301   -0.12700
 37 Pt    0.00000   -0.35236   -0.04663
 38 Pt    0.00000   -0.00341   -0.01159
 39 O     0.01113    0.01146    0.01547
 40 O    -0.01113    0.01146    0.01547
 41 O    -0.00000    0.00346    0.00927
 42 O    -0.00000    0.03784   -0.01839
 43 Pt    0.00000   -0.00926    0.12539
 44 Pt    0.00000   -0.08673    0.02279
 45 O    -0.22439   -0.42467    0.25710
 46 O     0.22439   -0.42467    0.25710
 47 O     0.00000   -0.02383   -0.06568
 48 O    -0.00000    0.02236    1.17302
 49 Pt    0.00000   -0.02289   -0.37884
 50 Pt   -0.00000    0.02108   -0.43698
 51 O    -1.69273   -0.01393   -0.71764
 52 O     1.69273   -0.01393   -0.71764
 53 O     0.00000   -0.01008   -1.40533
 54 O     0.00000   -0.00202    1.76998
 55 Pt    0.00000   -0.01221    0.51530
 56 Pt   -0.00000    0.11873    0.65692
 57 O    -1.61412    0.01380    0.09024
 58 O     1.61412    0.01380    0.09024
 59 O     0.00000   -0.02127   -0.51795
 60 O     0.00000   -0.22441   -0.12301
 61 Pt   -0.00000    0.01514   -0.10081
 62 Pt   -0.00000    0.01705   -0.00639
 63 O    -0.01497   -0.00803    0.00279
 64 O     0.01497   -0.00803    0.00279
 65 O    -0.00000    0.00156   -0.00158
 66 O     0.00000   -0.01638   -0.00634
 67 Pt   -0.00000    0.00699    0.02865
 68 Pt   -0.00000    0.14777    0.02288
 69 O    -0.01024   -0.00246   -0.03010
 70 O     0.01024   -0.00246   -0.03010
 71 O    -0.00000    0.00893   -0.05956
 72 N     0.00000   -0.37655    0.05675
 73 N    -0.00000    0.34965    0.05314

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.653575   24.697370    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.545471   24.674565    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:40:47  -2.48   +inf  -414.317712    3      1      
iter:   2  08:42:47  -3.04  -2.78  -415.443060    3      1      
iter:   3  08:44:49  -3.43  -2.07  -414.289799    3      1      
iter:   4  08:46:49  -3.99  -3.40  -414.281175    3      1      
iter:   5  08:48:50  -4.44  -3.67  -414.282624    3      1      
iter:   6  08:50:50  -4.30  -3.72  -414.278746    3      1      
iter:   7  08:52:52  -4.62  -3.85  -414.279042    3      1      
iter:   8  08:54:53  -5.05  -4.07  -414.279760    3      1      
iter:   9  08:56:55  -5.52  -4.40  -414.279370    3      1      
iter:  10  08:58:57  -6.01  -4.05  -414.280607    3      1      
iter:  11  09:00:58  -6.15  -4.14  -414.279293    3      1      
iter:  12  09:03:01  -6.38  -3.95  -414.279664    2      1      
iter:  13  09:05:01  -6.86  -4.68  -414.279753    2      1      
iter:  14  09:07:04  -6.90  -4.64  -414.279760    2      1      
iter:  15  09:09:04  -7.07  -4.81  -414.279751    2      1      
iter:  16  09:11:07  -7.42  -4.93  -414.279660    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963586, -32.496509, -0.020776) |e|*Ang

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

Kinetic:        +17.438284
Potential:     -136.673835
External:        +0.000000
XC:            -304.755175
Entropy (-ST):   -1.566502
Local:          +10.494318
--------------------------
Free energy:   -415.062911
Extrapolated:  -414.279660

Fermi level: -6.55185

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61781    0.14648
  0   340     -6.60569    0.14032
  0   341     -6.60507    0.14000
  0   342     -6.57895    0.12607

  1   339     -6.52566    0.19329
  1   340     -6.47768    0.14339
  1   341     -6.44673    0.11511
  1   342     -6.44056    0.10992



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17493
  1 Pt    0.00000   -0.00289   -0.37568
  2 Pt    0.00000   -0.01904   -0.43363
  3 O    -1.68321    0.00029   -0.71864
  4 O     1.68321    0.00029   -0.71864
  5 O     0.00000   -0.01119   -1.38690
  6 O     0.00000   -0.00284    1.76640
  7 Pt   -0.00000    0.01378    0.45092
  8 Pt    0.00000   -0.04134    0.75391
  9 O    -1.58105    0.00056    0.05012
 10 O     1.58105    0.00056    0.05012
 11 O     0.00000   -0.00885   -0.56767
 12 O    -0.00000    0.00937    0.13732
 13 Pt   -0.00000    0.31591   -0.03695
 14 Pt    0.00000   -0.02014    0.00889
 15 O    -0.00059    0.01100    0.00277
 16 O     0.00059    0.01100    0.00277
 17 O    -0.00000    0.01254   -1.18596
 18 O    -0.00000    0.00124    0.02751
 19 Pt    0.00000   -0.02081    0.14589
 20 Pt    0.00000   -0.04476    0.22397
 21 O    -0.22008    0.40868    0.23980
 22 O     0.22008    0.40868    0.23980
 23 O     0.00000   -0.01591   -0.08868
 24 O     0.00000   -0.00083    1.15077
 25 Pt   -0.00000    0.01768   -0.37847
 26 Pt    0.00000   -0.00013   -0.43457
 27 O    -1.69175    0.01333   -0.71801
 28 O     1.69175    0.01333   -0.71801
 29 O    -0.00000    0.04412   -1.39029
 30 O     0.00000   -0.00437    1.83259
 31 Pt   -0.00000    0.01940    0.51099
 32 Pt    0.00000   -0.13629    0.58407
 33 O    -1.61372   -0.01907    0.06925
 34 O     1.61372   -0.01907    0.06925
 35 O     0.00000   -0.03250   -0.52684
 36 O    -0.00000    0.23261   -0.12721
 37 Pt    0.00000   -0.35158   -0.04599
 38 Pt    0.00000   -0.00364   -0.01104
 39 O     0.01056    0.01144    0.01525
 40 O    -0.01056    0.01144    0.01525
 41 O    -0.00000    0.00368    0.01003
 42 O    -0.00000    0.03765   -0.01875
 43 Pt    0.00000   -0.00948    0.12619
 44 Pt    0.00000   -0.08728    0.02368
 45 O    -0.22531   -0.42447    0.25854
 46 O     0.22531   -0.42447    0.25854
 47 O     0.00000   -0.02380   -0.06516
 48 O    -0.00000    0.02238    1.17278
 49 Pt    0.00000   -0.02290   -0.37790
 50 Pt   -0.00000    0.02108   -0.43628
 51 O    -1.69115   -0.01393   -0.71807
 52 O     1.69115   -0.01393   -0.71807
 53 O     0.00000   -0.01011   -1.40595
 54 O     0.00000   -0.00203    1.77562
 55 Pt    0.00000   -0.01223    0.51643
 56 Pt   -0.00000    0.11880    0.65777
 57 O    -1.61438    0.01381    0.08942
 58 O     1.61438    0.01381    0.08942
 59 O     0.00000   -0.02124   -0.51817
 60 O     0.00000   -0.22397   -0.12319
 61 Pt   -0.00000    0.01470   -0.09987
 62 Pt   -0.00000    0.01709   -0.00562
 63 O    -0.01537   -0.00812    0.00256
 64 O     0.01537   -0.00812    0.00256
 65 O     0.00000    0.00134    0.00179
 66 O     0.00000   -0.01625   -0.00661
 67 Pt   -0.00000    0.00717    0.02896
 68 Pt   -0.00000    0.14854    0.02295
 69 O    -0.01067   -0.00250   -0.02940
 70 O     0.01067   -0.00250   -0.02940
 71 O    -0.00000    0.00900   -0.05940
 72 N     0.00000   -0.49565    0.07509
 73 N    -0.00000    0.49519    0.05523

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    3.649095   24.737118    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.540703   24.686193    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:23:00  -2.47   +inf  -414.286390    3      1      
iter:   2  09:25:04  -3.26  -3.17  -414.471090    2      1      
iter:   3  09:27:07  -3.72  -2.46  -414.284605    2      1      
iter:   4  09:29:09  -4.15  -3.83  -414.282215    3      1      
iter:   5  09:31:09  -4.24  -3.83  -414.285892    3      1      
iter:   6  09:33:09  -4.40  -3.60  -414.282292    3      1      
iter:   7  09:35:10  -4.98  -4.17  -414.282176    2      1      
iter:   8  09:37:15  -5.26  -4.34  -414.282328    2      1      
iter:   9  09:39:20  -5.66  -4.19  -414.282048    2      1      
iter:  10  09:41:25  -6.05  -4.01  -414.282390    2      1      
iter:  11  09:43:29  -6.46  -4.56  -414.281878    2      1      
iter:  12  09:45:31  -6.73  -4.42  -414.282404    2      1      
iter:  13  09:47:36  -6.96  -4.62  -414.282292    2      1      
iter:  14  09:49:38  -7.04  -4.61  -414.282222    2      1      
iter:  15  09:51:40  -7.33  -5.03  -414.282276    2      1      
iter:  16  09:53:34  -7.46  -4.80  -414.282187    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963601, -32.497371, -0.021293) |e|*Ang

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

Kinetic:        +17.193805
Potential:     -136.480620
External:        +0.000000
XC:            -304.706203
Entropy (-ST):   -1.566589
Local:          +10.494126
--------------------------
Free energy:   -415.065481
Extrapolated:  -414.282187

Fermi level: -6.55255

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61885    0.14665
  0   340     -6.60624    0.14024
  0   341     -6.60556    0.13989
  0   342     -6.57980    0.12615

  1   339     -6.52625    0.19316
  1   340     -6.47823    0.14325
  1   341     -6.44754    0.11520
  1   342     -6.44131    0.10996



Forces in eV/Ang:
  0 O     0.00000   -0.01759    1.17507
  1 Pt    0.00000   -0.00288   -0.37617
  2 Pt    0.00000   -0.01900   -0.43368
  3 O    -1.68385    0.00031   -0.71825
  4 O     1.68385    0.00031   -0.71825
  5 O     0.00000   -0.01116   -1.38658
  6 O     0.00000   -0.00288    1.76348
  7 Pt   -0.00000    0.01371    0.45033
  8 Pt    0.00000   -0.04149    0.75377
  9 O    -1.58104    0.00046    0.05102
 10 O     1.58104    0.00046    0.05102
 11 O     0.00000   -0.00890   -0.56800
 12 O    -0.00000    0.00922    0.13755
 13 Pt   -0.00000    0.31601   -0.03800
 14 Pt    0.00000   -0.02016    0.00827
 15 O    -0.00023    0.01108    0.00322
 16 O     0.00023    0.01108    0.00322
 17 O    -0.00000    0.01232   -1.18872
 18 O    -0.00000    0.00099    0.02808
 19 Pt    0.00000   -0.02017    0.14521
 20 Pt    0.00000   -0.04328    0.22905
 21 O    -0.21924    0.40867    0.23964
 22 O     0.21924    0.40867    0.23964
 23 O     0.00000   -0.01533   -0.08880
 24 O     0.00000   -0.00087    1.15091
 25 Pt   -0.00000    0.01768   -0.37900
 26 Pt    0.00000   -0.00017   -0.43462
 27 O    -1.69242    0.01334   -0.71763
 28 O     1.69242    0.01334   -0.71763
 29 O    -0.00000    0.04411   -1.38997
 30 O     0.00000   -0.00432    1.82962
 31 Pt   -0.00000    0.01937    0.51037
 32 Pt    0.00000   -0.13617    0.58391
 33 O    -1.61363   -0.01906    0.07013
 34 O     1.61363   -0.01906    0.07013
 35 O     0.00000   -0.03243   -0.52719
 36 O    -0.00000    0.23264   -0.12707
 37 Pt    0.00000   -0.35104   -0.04711
 38 Pt    0.00000   -0.00360   -0.01162
 39 O     0.01097    0.01139    0.01564
 40 O    -0.01097    0.01139    0.01564
 41 O    -0.00000    0.00365    0.00455
 42 O    -0.00000    0.03807   -0.01818
 43 Pt    0.00000   -0.00991    0.12761
 44 Pt    0.00000   -0.08787    0.02821
 45 O    -0.22530   -0.42397    0.26186
 46 O     0.22530   -0.42397    0.26186
 47 O     0.00000   -0.02428   -0.06495
 48 O    -0.00000    0.02237    1.17290
 49 Pt    0.00000   -0.02291   -0.37838
 50 Pt   -0.00000    0.02109   -0.43629
 51 O    -1.69180   -0.01397   -0.71767
 52 O     1.69180   -0.01397   -0.71767
 53 O     0.00000   -0.01012   -1.40547
 54 O     0.00000   -0.00205    1.77299
 55 Pt    0.00000   -0.01213    0.51583
 56 Pt   -0.00000    0.11882    0.65758
 57 O    -1.61438    0.01390    0.09032
 58 O     1.61438    0.01390    0.09032
 59 O     0.00000   -0.02126   -0.51850
 60 O     0.00000   -0.22389   -0.12314
 61 Pt   -0.00000    0.01411   -0.10077
 62 Pt   -0.00000    0.01706   -0.00645
 63 O    -0.01500   -0.00813    0.00299
 64 O     0.01500   -0.00813    0.00299
 65 O     0.00000    0.00140   -0.00166
 66 O     0.00000   -0.01639   -0.00626
 67 Pt   -0.00000    0.00687    0.02815
 68 Pt   -0.00000    0.14844    0.02265
 69 O    -0.00998   -0.00289   -0.02951
 70 O     0.00998   -0.00289   -0.02951
 71 O    -0.00000    0.00887   -0.05979
 72 N     0.00000   -0.65992   -0.00254
 73 N    -0.00000    0.66256    0.09942

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    3.645702   24.755066    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.539553   24.691711    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:07:19  -3.13   +inf  -414.345253    3      1      
iter:   2  10:09:23  -3.14  -2.74  -415.816806    3      1      
iter:   3  10:11:24  -3.44  -2.02  -414.284495    3      1      
iter:   4  10:13:26  -4.14  -3.30  -414.287900    3      1      
iter:   5  10:15:26  -4.77  -3.70  -414.284832    3      1      
iter:   6  10:17:26  -4.93  -3.90  -414.283292    3      1      
iter:   7  10:19:27  -5.24  -4.12  -414.283945    3      1      
iter:   8  10:21:30  -5.18  -4.09  -414.286320    3      1      
iter:   9  10:23:33  -5.55  -3.49  -414.283754    3      1      
iter:  10  10:25:36  -6.30  -4.50  -414.283942    2      1      
iter:  11  10:27:38  -6.60  -4.54  -414.283500    2      1      
iter:  12  10:29:39  -6.72  -4.42  -414.283886    2      1      
iter:  13  10:31:39  -6.91  -4.71  -414.283810    2      1      
iter:  14  10:33:32  -7.15  -4.90  -414.283896    2      1      
iter:  15  10:35:24  -7.11  -4.48  -414.283690    2      1      
iter:  16  10:37:17  -7.53  -4.64  -414.283734    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963638, -32.497860, -0.022230) |e|*Ang

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

Kinetic:        +17.379406
Potential:     -136.623364
External:        +0.000000
XC:            -304.752151
Entropy (-ST):   -1.566501
Local:          +10.495625
--------------------------
Free energy:   -415.066985
Extrapolated:  -414.283734

Fermi level: -6.55307

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61914    0.14653
  0   340     -6.60689    0.14031
  0   341     -6.60625    0.13998
  0   342     -6.58026    0.12613

  1   339     -6.52681    0.19321
  1   340     -6.47889    0.14338
  1   341     -6.44808    0.11522
  1   342     -6.44178    0.10992



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17486
  1 Pt    0.00000   -0.00292   -0.37669
  2 Pt    0.00000   -0.01907   -0.43380
  3 O    -1.68314    0.00026   -0.71867
  4 O     1.68314    0.00026   -0.71867
  5 O     0.00000   -0.01111   -1.38671
  6 O     0.00000   -0.00276    1.76645
  7 Pt   -0.00000    0.01375    0.45044
  8 Pt    0.00000   -0.04137    0.75423
  9 O    -1.58052    0.00059    0.05071
 10 O     1.58052    0.00059    0.05071
 11 O     0.00000   -0.00883   -0.56816
 12 O    -0.00000    0.00915    0.13718
 13 Pt   -0.00000    0.31589   -0.03723
 14 Pt    0.00000   -0.02030    0.00897
 15 O     0.00002    0.01091    0.00275
 16 O    -0.00002    0.01091    0.00275
 17 O    -0.00000    0.01199   -1.18666
 18 O    -0.00000    0.00103    0.02750
 19 Pt    0.00000   -0.02025    0.14731
 20 Pt    0.00000   -0.04265    0.23161
 21 O    -0.21939    0.40851    0.24174
 22 O     0.21939    0.40851    0.24174
 23 O     0.00000   -0.01447   -0.08869
 24 O     0.00000   -0.00081    1.15070
 25 Pt   -0.00000    0.01769   -0.37939
 26 Pt    0.00000   -0.00010   -0.43473
 27 O    -1.69166    0.01334   -0.71804
 28 O     1.69166    0.01334   -0.71804
 29 O    -0.00000    0.04405   -1.39007
 30 O     0.00000   -0.00446    1.83264
 31 Pt   -0.00000    0.01941    0.51049
 32 Pt    0.00000   -0.13632    0.58427
 33 O    -1.61319   -0.01907    0.06982
 34 O     1.61319   -0.01907    0.06982
 35 O     0.00000   -0.03252   -0.52728
 36 O    -0.00000    0.23261   -0.12733
 37 Pt    0.00000   -0.35067   -0.04653
 38 Pt    0.00000   -0.00350   -0.01109
 39 O     0.01124    0.01149    0.01501
 40 O    -0.01124    0.01149    0.01501
 41 O    -0.00000    0.00407    0.00731
 42 O    -0.00000    0.03743   -0.01880
 43 Pt    0.00000   -0.00998    0.13145
 44 Pt    0.00000   -0.08958    0.03304
 45 O    -0.22627   -0.42352    0.26621
 46 O     0.22627   -0.42352    0.26621
 47 O     0.00000   -0.02553   -0.06418
 48 O    -0.00000    0.02237    1.17271
 49 Pt    0.00000   -0.02288   -0.37890
 50 Pt   -0.00000    0.02108   -0.43654
 51 O    -1.69108   -0.01391   -0.71809
 52 O     1.69108   -0.01391   -0.71809
 53 O     0.00000   -0.01012   -1.40575
 54 O     0.00000   -0.00202    1.77554
 55 Pt    0.00000   -0.01222    0.51598
 56 Pt   -0.00000    0.11885    0.65806
 57 O    -1.61382    0.01378    0.09001
 58 O     1.61382    0.01378    0.09001
 59 O     0.00000   -0.02124   -0.51850
 60 O     0.00000   -0.22377   -0.12328
 61 Pt   -0.00000    0.01390   -0.10001
 62 Pt   -0.00000    0.01710   -0.00556
 63 O    -0.01477   -0.00806    0.00241
 64 O     0.01477   -0.00806    0.00241
 65 O     0.00000    0.00125    0.00108
 66 O     0.00000   -0.01581   -0.00682
 67 Pt   -0.00000    0.00700    0.03083
 68 Pt   -0.00000    0.14965    0.02508
 69 O    -0.01004   -0.00323   -0.02680
 70 O     0.01004   -0.00323   -0.02680
 71 O    -0.00000    0.00926   -0.05951
 72 N     0.00000   -0.37360   -0.00129
 73 N    -0.00000    0.44090    0.09388

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    3.642692   24.762044    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.539705   24.693359    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:51:34  -3.84   +inf  -414.305395    3      1      
iter:   2  10:53:40  -3.84  -3.08  -414.549396    3      1      
iter:   3  10:55:45  -4.03  -2.38  -414.288470    3      1      
iter:   4  10:57:50  -4.65  -3.19  -414.286543    3      1      
iter:   5  10:59:55  -5.44  -4.05  -414.285231    3      1      
iter:   6  11:02:00  -5.35  -4.04  -414.284423    3      1      
iter:   7  11:04:05  -5.63  -4.13  -414.284940    3      1      
iter:   8  11:06:10  -5.71  -4.27  -414.284930    3      1      
iter:   9  11:08:15  -5.93  -4.35  -414.285088    2      1      
iter:  10  11:10:20  -6.05  -4.41  -414.285276    3      1      
iter:  11  11:12:24  -6.64  -3.91  -414.284919    2      1      
iter:  12  11:14:17  -7.19  -4.62  -414.285102    2      1      
iter:  13  11:16:09  -6.99  -4.73  -414.285008    2      1      
iter:  14  11:18:02  -7.37  -4.97  -414.285007    2      1      
iter:  15  11:19:55  -7.08  -4.94  -414.285022    3      1      
iter:  16  11:21:47  -7.77  -5.19  -414.285016    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963633, -32.497686, -0.022985) |e|*Ang

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

Kinetic:        +17.841094
Potential:     -136.995051
External:        +0.000000
XC:            -304.844214
Entropy (-ST):   -1.566411
Local:          +10.496361
--------------------------
Free energy:   -415.068221
Extrapolated:  -414.285016

Fermi level: -6.55376

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61986    0.14655
  0   340     -6.60757    0.14031
  0   341     -6.60693    0.13998
  0   342     -6.58095    0.12613

  1   339     -6.52747    0.19318
  1   340     -6.47957    0.14338
  1   341     -6.44876    0.11522
  1   342     -6.44246    0.10992



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17504
  1 Pt    0.00000   -0.00289   -0.37680
  2 Pt    0.00000   -0.01909   -0.43471
  3 O    -1.68333    0.00025   -0.71880
  4 O     1.68333    0.00025   -0.71880
  5 O     0.00000   -0.01112   -1.38681
  6 O     0.00000   -0.00277    1.76562
  7 Pt   -0.00000    0.01378    0.45122
  8 Pt    0.00000   -0.04136    0.75416
  9 O    -1.58086    0.00060    0.05098
 10 O     1.58086    0.00060    0.05098
 11 O     0.00000   -0.00884   -0.56773
 12 O    -0.00000    0.00911    0.13702
 13 Pt   -0.00000    0.31595   -0.03762
 14 Pt    0.00000   -0.02042    0.00802
 15 O    -0.00072    0.01099    0.00257
 16 O     0.00072    0.01099    0.00257
 17 O    -0.00000    0.01191   -1.18376
 18 O    -0.00000    0.00083    0.02754
 19 Pt    0.00000   -0.01980    0.14917
 20 Pt    0.00000   -0.04271    0.23519
 21 O    -0.21977    0.40933    0.24223
 22 O     0.21977    0.40933    0.24223
 23 O     0.00000   -0.01395   -0.08815
 24 O     0.00000   -0.00079    1.15088
 25 Pt   -0.00000    0.01769   -0.37949
 26 Pt    0.00000   -0.00007   -0.43565
 27 O    -1.69184    0.01334   -0.71817
 28 O     1.69184    0.01334   -0.71817
 29 O    -0.00000    0.04408   -1.39023
 30 O     0.00000   -0.00445    1.83174
 31 Pt   -0.00000    0.01937    0.51127
 32 Pt    0.00000   -0.13636    0.58431
 33 O    -1.61355   -0.01908    0.07009
 34 O     1.61355   -0.01908    0.07009
 35 O     0.00000   -0.03251   -0.52687
 36 O    -0.00000    0.23252   -0.12742
 37 Pt    0.00000   -0.35062   -0.04700
 38 Pt    0.00000   -0.00329   -0.01191
 39 O     0.01057    0.01141    0.01481
 40 O    -0.01057    0.01141    0.01481
 41 O    -0.00000    0.00403    0.00763
 42 O    -0.00000    0.03818   -0.01884
 43 Pt    0.00000   -0.01028    0.13410
 44 Pt    0.00000   -0.08882    0.03610
 45 O    -0.22713   -0.42414    0.26821
 46 O     0.22713   -0.42414    0.26821
 47 O     0.00000   -0.02555   -0.06377
 48 O    -0.00000    0.02237    1.17288
 49 Pt    0.00000   -0.02291   -0.37901
 50 Pt   -0.00000    0.02108   -0.43748
 51 O    -1.69128   -0.01392   -0.71821
 52 O     1.69128   -0.01392   -0.71821
 53 O     0.00000   -0.01014   -1.40588
 54 O     0.00000   -0.00203    1.77462
 55 Pt    0.00000   -0.01221    0.51674
 56 Pt   -0.00000    0.11888    0.65813
 57 O    -1.61416    0.01378    0.09029
 58 O     1.61416    0.01378    0.09029
 59 O     0.00000   -0.02124   -0.51802
 60 O     0.00000   -0.22363   -0.12335
 61 Pt   -0.00000    0.01379   -0.10051
 62 Pt   -0.00000    0.01702   -0.00638
 63 O    -0.01551   -0.00806    0.00232
 64 O     0.01551   -0.00806    0.00232
 65 O     0.00000    0.00135    0.00170
 66 O     0.00000   -0.01635   -0.00695
 67 Pt   -0.00000    0.00682    0.03237
 68 Pt   -0.00000    0.14902    0.02754
 69 O    -0.01045   -0.00347   -0.02668
 70 O     0.01045   -0.00347   -0.02668
 71 O    -0.00000    0.00880   -0.05912
 72 N    -0.00000    0.00172    0.09448
 73 N    -0.00000    0.04175    0.07617

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      O           
                  Pt Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        O            O             
         PtO PO      O             
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.632240   24.800654    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.537551   24.703669    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:30:53  -2.47   +inf  -414.366978    4      1      
iter:   2  11:32:58  -2.93  -2.71  -415.810790    4      1      
iter:   3  11:35:03  -3.30  -2.02  -414.304234    3      1      
iter:   4  11:37:08  -3.88  -2.92  -414.295472    3      1      
iter:   5  11:39:10  -4.44  -3.42  -414.289473    3      1      
iter:   6  11:41:13  -4.34  -3.59  -414.285232    3      1      
iter:   7  11:43:18  -4.94  -3.67  -414.286555    3      1      
iter:   8  11:45:23  -4.55  -3.68  -414.286361    3      1      
iter:   9  11:47:25  -4.98  -4.07  -414.285453    3      1      
iter:  10  11:49:27  -5.16  -4.14  -414.286108    3      1      
iter:  11  11:51:29  -5.60  -4.07  -414.285670    3      1      
iter:  12  11:53:29  -6.05  -3.79  -414.285575    2      1      
iter:  13  11:55:29  -6.13  -4.24  -414.285654    2      1      
iter:  14  11:57:34  -6.41  -4.40  -414.285283    2      1      
iter:  15  11:59:39  -6.74  -4.32  -414.285476    1      1      
iter:  16  12:01:44  -6.80  -4.49  -414.285205    2      1      
iter:  17  12:03:50  -6.80  -4.46  -414.285445    2      1      
iter:  18  12:05:55  -6.87  -4.26  -414.285378    2      1      
iter:  19  12:07:49  -7.17  -4.80  -414.285382    2      1      
iter:  20  12:09:42  -7.19  -4.96  -414.285533    2      1      
iter:  21  12:11:35  -7.17  -4.70  -414.285408    2      1      
iter:  22  12:13:28  -7.63  -5.01  -414.285448    2      1      

Converged after 22 iterations.

Dipole moment: (-55.963612, -32.498393, -0.024052) |e|*Ang

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

Kinetic:        +18.909186
Potential:     -137.860986
External:        +0.000000
XC:            -305.047483
Entropy (-ST):   -1.566369
Local:          +10.497019
--------------------------
Free energy:   -415.068632
Extrapolated:  -414.285448

Fermi level: -6.55424

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62038    0.14657
  0   340     -6.60813    0.14035
  0   341     -6.60752    0.14003
  0   342     -6.58148    0.12615

  1   339     -6.52800    0.19323
  1   340     -6.48011    0.14343
  1   341     -6.44937    0.11532
  1   342     -6.44294    0.10992



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17542
  1 Pt    0.00000   -0.00287   -0.37573
  2 Pt    0.00000   -0.01909   -0.43291
  3 O    -1.68326    0.00027   -0.71819
  4 O     1.68326    0.00027   -0.71819
  5 O     0.00000   -0.01110   -1.38693
  6 O     0.00000   -0.00279    1.76704
  7 Pt   -0.00000    0.01379    0.45223
  8 Pt    0.00000   -0.04145    0.75489
  9 O    -1.58100    0.00062    0.05109
 10 O     1.58100    0.00062    0.05109
 11 O     0.00000   -0.00884   -0.56744
 12 O    -0.00000    0.00901    0.13681
 13 Pt   -0.00000    0.31575   -0.03666
 14 Pt    0.00000   -0.02032    0.00875
 15 O    -0.00092    0.01108    0.00317
 16 O     0.00092    0.01108    0.00317
 17 O    -0.00000    0.01171   -1.18056
 18 O    -0.00000    0.00094    0.02743
 19 Pt    0.00000   -0.01957    0.14627
 20 Pt    0.00000   -0.04211    0.23211
 21 O    -0.22020    0.40973    0.23935
 22 O     0.22020    0.40973    0.23935
 23 O     0.00000   -0.01379   -0.08915
 24 O     0.00000   -0.00079    1.15125
 25 Pt   -0.00000    0.01768   -0.37842
 26 Pt    0.00000   -0.00008   -0.43383
 27 O    -1.69177    0.01334   -0.71757
 28 O     1.69177    0.01334   -0.71757
 29 O    -0.00000    0.04407   -1.39040
 30 O     0.00000   -0.00439    1.83318
 31 Pt   -0.00000    0.01935    0.51229
 32 Pt    0.00000   -0.13633    0.58507
 33 O    -1.61366   -0.01910    0.07021
 34 O     1.61366   -0.01910    0.07021
 35 O     0.00000   -0.03247   -0.52651
 36 O    -0.00000    0.23248   -0.12754
 37 Pt    0.00000   -0.34995   -0.04597
 38 Pt    0.00000   -0.00339   -0.01132
 39 O     0.01030    0.01134    0.01552
 40 O    -0.01030    0.01134    0.01552
 41 O    -0.00000    0.00417    0.00838
 42 O    -0.00000    0.03814   -0.01890
 43 Pt    0.00000   -0.01076    0.13206
 44 Pt    0.00000   -0.08858    0.03324
 45 O    -0.22800   -0.42431    0.26732
 46 O     0.22800   -0.42431    0.26732
 47 O     0.00000   -0.02551   -0.06418
 48 O    -0.00000    0.02236    1.17325
 49 Pt    0.00000   -0.02292   -0.37796
 50 Pt   -0.00000    0.02108   -0.43567
 51 O    -1.69121   -0.01392   -0.71761
 52 O     1.69121   -0.01392   -0.71761
 53 O     0.00000   -0.01014   -1.40601
 54 O     0.00000   -0.00207    1.77609
 55 Pt    0.00000   -0.01221    0.51776
 56 Pt   -0.00000    0.11892    0.65887
 57 O    -1.61425    0.01378    0.09042
 58 O     1.61425    0.01378    0.09042
 59 O     0.00000   -0.02128   -0.51768
 60 O     0.00000   -0.22350   -0.12343
 61 Pt   -0.00000    0.01337   -0.09935
 62 Pt   -0.00000    0.01702   -0.00586
 63 O    -0.01564   -0.00810    0.00286
 64 O     0.01564   -0.00810    0.00286
 65 O     0.00000    0.00127    0.00374
 66 O     0.00000   -0.01642   -0.00698
 67 Pt   -0.00000    0.00701    0.02959
 68 Pt   -0.00000    0.14868    0.02171
 69 O    -0.01127   -0.00362   -0.02960
 70 O     0.01127   -0.00362   -0.02960
 71 O    -0.00000    0.00857   -0.06061
 72 N    -0.00000    0.88173    0.06589
 73 N     0.00000   -0.85959   -0.06687

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.623709   24.835688    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.533919   24.710117    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:20:02  -2.57   +inf  -414.289084    3      1      
iter:   2  12:22:06  -3.38  -3.44  -414.292407    3      1      
iter:   3  12:24:07  -3.86  -3.08  -414.286780    3      1      
iter:   4  12:26:08  -4.26  -3.25  -414.286981    3      1      
iter:   5  12:28:09  -4.30  -3.78  -414.284214    3      1      
iter:   6  12:30:10  -4.39  -3.63  -414.284168    3      1      
iter:   7  12:32:12  -4.87  -3.91  -414.284617    2      1      
iter:   8  12:34:16  -5.24  -4.25  -414.285067    3      1      
iter:   9  12:36:19  -5.81  -4.17  -414.284634    2      1      
iter:  10  12:38:21  -6.12  -4.08  -414.284674    2      1      
iter:  11  12:40:23  -6.50  -4.51  -414.284342    2      1      
iter:  12  12:42:23  -6.75  -4.50  -414.284953    2      1      
iter:  13  12:44:25  -6.73  -4.24  -414.284324    2      1      
iter:  14  12:46:27  -7.17  -4.71  -414.284403    2      1      
iter:  15  12:48:31  -7.28  -5.08  -414.284528    2      1      
iter:  16  12:50:32  -7.62  -4.67  -414.284439    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963665, -32.500046, -0.023620) |e|*Ang

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

Kinetic:        +19.146767
Potential:     -138.045539
External:        +0.000000
XC:            -305.101436
Entropy (-ST):   -1.566427
Local:          +10.498982
--------------------------
Free energy:   -415.067652
Extrapolated:  -414.284439

Fermi level: -6.55429

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62048    0.14660
  0   340     -6.60815    0.14033
  0   341     -6.60752    0.14001
  0   342     -6.58157    0.12618

  1   339     -6.52803    0.19321
  1   340     -6.48014    0.14341
  1   341     -6.44947    0.11536
  1   342     -6.44298    0.10991



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17457
  1 Pt    0.00000   -0.00288   -0.37666
  2 Pt    0.00000   -0.01907   -0.43437
  3 O    -1.68295    0.00027   -0.71855
  4 O     1.68295    0.00027   -0.71855
  5 O     0.00000   -0.01107   -1.38658
  6 O     0.00000   -0.00278    1.76697
  7 Pt   -0.00000    0.01373    0.45168
  8 Pt    0.00000   -0.04152    0.75483
  9 O    -1.58072    0.00056    0.05105
 10 O     1.58072    0.00056    0.05105
 11 O     0.00000   -0.00886   -0.56743
 12 O    -0.00000    0.00889    0.13687
 13 Pt   -0.00000    0.31563   -0.03698
 14 Pt    0.00000   -0.02036    0.00816
 15 O    -0.00068    0.01097    0.00279
 16 O     0.00068    0.01097    0.00279
 17 O    -0.00000    0.01163   -1.18082
 18 O    -0.00000    0.00087    0.02722
 19 Pt    0.00000   -0.01975    0.14970
 20 Pt    0.00000   -0.04268    0.23546
 21 O    -0.22011    0.40909    0.24150
 22 O     0.22011    0.40909    0.24150
 23 O     0.00000   -0.01418   -0.08743
 24 O     0.00000   -0.00080    1.15042
 25 Pt   -0.00000    0.01769   -0.37936
 26 Pt    0.00000   -0.00010   -0.43531
 27 O    -1.69147    0.01336   -0.71792
 28 O     1.69147    0.01336   -0.71792
 29 O    -0.00000    0.04406   -1.38999
 30 O     0.00000   -0.00448    1.83305
 31 Pt   -0.00000    0.01936    0.51169
 32 Pt    0.00000   -0.13632    0.58486
 33 O    -1.61336   -0.01907    0.07015
 34 O     1.61336   -0.01907    0.07015
 35 O     0.00000   -0.03253   -0.52649
 36 O    -0.00000    0.23240   -0.12748
 37 Pt    0.00000   -0.34940   -0.04619
 38 Pt    0.00000   -0.00335   -0.01179
 39 O     0.01066    0.01143    0.01515
 40 O    -0.01066    0.01143    0.01515
 41 O    -0.00000    0.00423    0.00685
 42 O    -0.00000    0.03784   -0.01917
 43 Pt    0.00000   -0.01087    0.13468
 44 Pt    0.00000   -0.08895    0.03735
 45 O    -0.22731   -0.42352    0.26861
 46 O     0.22731   -0.42352    0.26861
 47 O     0.00000   -0.02558   -0.06190
 48 O    -0.00000    0.02236    1.17241
 49 Pt    0.00000   -0.02292   -0.37888
 50 Pt   -0.00000    0.02108   -0.43713
 51 O    -1.69089   -0.01394   -0.71797
 52 O     1.69089   -0.01394   -0.71797
 53 O     0.00000   -0.01017   -1.40558
 54 O     0.00000   -0.00198    1.77614
 55 Pt    0.00000   -0.01215    0.51721
 56 Pt   -0.00000    0.11900    0.65867
 57 O    -1.61400    0.01382    0.09036
 58 O     1.61400    0.01382    0.09036
 59 O     0.00000   -0.02122   -0.51766
 60 O     0.00000   -0.22330   -0.12345
 61 Pt   -0.00000    0.01298   -0.09954
 62 Pt   -0.00000    0.01702   -0.00646
 63 O    -0.01548   -0.00805    0.00249
 64 O     0.01548   -0.00805    0.00249
 65 O     0.00000    0.00116    0.00339
 66 O     0.00000   -0.01606   -0.00730
 67 Pt   -0.00000    0.00728    0.03264
 68 Pt   -0.00000    0.15003    0.02704
 69 O    -0.01085   -0.00365   -0.02721
 70 O     0.01085   -0.00365   -0.02721
 71 O    -0.00000    0.00904   -0.05830
 72 N    -0.00000    1.14211    0.13481
 73 N     0.00000   -1.18685   -0.06285

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N   Pt            
          O Pt   O     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    3.615630   24.873312    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.528133   24.716817    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:01:54  -2.50   +inf  -414.302728    3      1      
iter:   2  13:03:59  -3.14  -2.93  -414.897562    3      1      
iter:   3  13:06:02  -3.54  -2.22  -414.294359    2      1      
iter:   4  13:08:05  -4.07  -3.55  -414.289089    3      1      
iter:   5  13:10:05  -4.35  -3.66  -414.290094    3      1      
iter:   6  13:12:07  -4.31  -3.63  -414.288524    2      1      
iter:   7  13:14:07  -4.63  -3.91  -414.288260    2      1      
iter:   8  13:16:08  -5.08  -4.12  -414.288376    3      1      
iter:   9  13:18:13  -5.46  -4.34  -414.287831    2      1      
iter:  10  13:20:16  -5.96  -4.19  -414.289236    3      1      
iter:  11  13:22:19  -6.17  -4.12  -414.288158    3      1      
iter:  12  13:24:21  -6.56  -4.16  -414.288279    2      1      
iter:  13  13:26:23  -6.83  -4.45  -414.288447    2      1      
iter:  14  13:28:24  -6.71  -4.54  -414.288478    2      1      
iter:  15  13:30:27  -6.99  -4.55  -414.288450    2      1      
iter:  16  13:32:31  -7.20  -4.71  -414.288280    2      1      
iter:  17  13:34:33  -7.86  -5.00  -414.288467    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963627, -32.501381, -0.024244) |e|*Ang

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

Kinetic:        +18.938926
Potential:     -137.898940
External:        +0.000000
XC:            -305.044315
Entropy (-ST):   -1.566225
Local:          +10.498973
--------------------------
Free energy:   -415.071580
Extrapolated:  -414.288467

Fermi level: -6.55511

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62152    0.14671
  0   340     -6.60893    0.14031
  0   341     -6.60828    0.13998
  0   342     -6.58245    0.12621

  1   339     -6.52868    0.19303
  1   340     -6.48092    0.14338
  1   341     -6.45036    0.11542
  1   342     -6.44382    0.10992



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17517
  1 Pt    0.00000   -0.00287   -0.37672
  2 Pt    0.00000   -0.01908   -0.43448
  3 O    -1.68377    0.00026   -0.71840
  4 O     1.68377    0.00026   -0.71840
  5 O     0.00000   -0.01107   -1.38690
  6 O     0.00000   -0.00281    1.76391
  7 Pt   -0.00000    0.01379    0.45081
  8 Pt    0.00000   -0.04157    0.75400
  9 O    -1.58067    0.00059    0.05127
 10 O     1.58067    0.00059    0.05127
 11 O     0.00000   -0.00883   -0.56736
 12 O    -0.00000    0.00881    0.13727
 13 Pt   -0.00000    0.31539   -0.03597
 14 Pt    0.00000   -0.02022    0.00951
 15 O    -0.00033    0.01105    0.00391
 16 O     0.00033    0.01105    0.00391
 17 O    -0.00000    0.01145   -1.18045
 18 O    -0.00000    0.00097    0.02813
 19 Pt    0.00000   -0.01983    0.14634
 20 Pt    0.00000   -0.04235    0.23097
 21 O    -0.22024    0.40893    0.23918
 22 O     0.22024    0.40893    0.23918
 23 O     0.00000   -0.01512   -0.09051
 24 O     0.00000   -0.00079    1.15102
 25 Pt   -0.00000    0.01769   -0.37942
 26 Pt    0.00000   -0.00009   -0.43540
 27 O    -1.69228    0.01334   -0.71777
 28 O     1.69228    0.01334   -0.71777
 29 O    -0.00000    0.04408   -1.39036
 30 O     0.00000   -0.00441    1.82999
 31 Pt   -0.00000    0.01935    0.51093
 32 Pt    0.00000   -0.13631    0.58396
 33 O    -1.61328   -0.01907    0.07040
 34 O     1.61328   -0.01907    0.07040
 35 O     0.00000   -0.03252   -0.52648
 36 O    -0.00000    0.23242   -0.12711
 37 Pt    0.00000   -0.34886   -0.04523
 38 Pt    0.00000   -0.00344   -0.01032
 39 O     0.01089    0.01143    0.01628
 40 O    -0.01089    0.01143    0.01628
 41 O    -0.00000    0.00430    0.00429
 42 O    -0.00000    0.03784   -0.01814
 43 Pt    0.00000   -0.01109    0.13015
 44 Pt    0.00000   -0.08893    0.03218
 45 O    -0.22718   -0.42349    0.26564
 46 O     0.22718   -0.42349    0.26564
 47 O     0.00000   -0.02450   -0.06448
 48 O    -0.00000    0.02236    1.17302
 49 Pt    0.00000   -0.02293   -0.37894
 50 Pt   -0.00000    0.02108   -0.43722
 51 O    -1.69171   -0.01392   -0.71781
 52 O     1.69171   -0.01392   -0.71781
 53 O     0.00000   -0.01018   -1.40591
 54 O     0.00000   -0.00202    1.77302
 55 Pt    0.00000   -0.01219    0.51634
 56 Pt   -0.00000    0.11903    0.65770
 57 O    -1.61394    0.01378    0.09059
 58 O     1.61394    0.01378    0.09059
 59 O     0.00000   -0.02124   -0.51775
 60 O     0.00000   -0.22325   -0.12302
 61 Pt   -0.00000    0.01272   -0.09843
 62 Pt   -0.00000    0.01697   -0.00491
 63 O    -0.01514   -0.00814    0.00360
 64 O     0.01514   -0.00814    0.00360
 65 O     0.00000    0.00110    0.00274
 66 O     0.00000   -0.01617   -0.00637
 67 Pt   -0.00000    0.00756    0.02918
 68 Pt   -0.00000    0.15015    0.02225
 69 O    -0.01077   -0.00339   -0.02943
 70 O     0.01077   -0.00339   -0.02943
 71 O    -0.00000    0.00884   -0.06076
 72 N    -0.00000    0.82947    0.24448
 73 N     0.00000   -0.89122   -0.01291

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N   Pt            
          O Pt   O     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    3.606812   24.912328    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.523170   24.723908    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:46:11  -2.49   +inf  -414.288852    3      1      
iter:   2  13:48:15  -3.27  -3.24  -414.334048    3      1      
iter:   3  13:50:17  -3.73  -2.87  -414.307847    3      1      
iter:   4  13:52:17  -4.14  -3.05  -414.293898    3      1      
iter:   5  13:54:19  -4.24  -3.71  -414.292077    3      1      
iter:   6  13:56:22  -4.29  -3.96  -414.292705    3      1      
iter:   7  13:58:23  -4.88  -3.96  -414.292192    2      1      
iter:   8  14:00:24  -5.17  -4.10  -414.292362    2      1      
iter:   9  14:02:24  -5.49  -4.41  -414.292472    2      1      
iter:  10  14:04:25  -6.15  -4.40  -414.291961    2      1      
iter:  11  14:06:28  -6.40  -4.34  -414.292541    2      1      
iter:  12  14:08:30  -6.61  -4.52  -414.291965    2      1      
iter:  13  14:10:33  -6.56  -4.08  -414.292396    2      1      
iter:  14  14:12:37  -7.00  -4.56  -414.292319    2      1      
iter:  15  14:14:38  -7.20  -4.89  -414.292284    2      1      
iter:  16  14:16:39  -7.74  -5.21  -414.292324    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963648, -32.502823, -0.024864) |e|*Ang

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

Kinetic:        +18.689638
Potential:     -137.697872
External:        +0.000000
XC:            -304.997460
Entropy (-ST):   -1.566386
Local:          +10.496563
--------------------------
Free energy:   -415.075517
Extrapolated:  -414.292324

Fermi level: -6.55554

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62210    0.14678
  0   340     -6.60933    0.14029
  0   341     -6.60867    0.13995
  0   342     -6.58298    0.12626

  1   339     -6.52917    0.19309
  1   340     -6.48130    0.14333
  1   341     -6.45087    0.11549
  1   342     -6.44428    0.10995



Forces in eV/Ang:
  0 O     0.00000   -0.01761    1.17513
  1 Pt    0.00000   -0.00285   -0.37661
  2 Pt    0.00000   -0.01904   -0.43397
  3 O    -1.68371    0.00029   -0.71847
  4 O     1.68371    0.00029   -0.71847
  5 O     0.00000   -0.01107   -1.38677
  6 O     0.00000   -0.00287    1.76446
  7 Pt   -0.00000    0.01373    0.45061
  8 Pt    0.00000   -0.04171    0.75433
  9 O    -1.58079    0.00051    0.05064
 10 O     1.58079    0.00051    0.05064
 11 O     0.00000   -0.00889   -0.56787
 12 O    -0.00000    0.00871    0.13694
 13 Pt   -0.00000    0.31516   -0.03693
 14 Pt    0.00000   -0.02018    0.00893
 15 O    -0.00018    0.01109    0.00317
 16 O     0.00018    0.01109    0.00317
 17 O    -0.00000    0.01127   -1.18101
 18 O    -0.00000    0.00091    0.02818
 19 Pt    0.00000   -0.01938    0.14620
 20 Pt    0.00000   -0.04152    0.23317
 21 O    -0.21977    0.40875    0.23962
 22 O     0.21977    0.40875    0.23962
 23 O     0.00000   -0.01488   -0.08998
 24 O     0.00000   -0.00082    1.15098
 25 Pt   -0.00000    0.01769   -0.37935
 26 Pt    0.00000   -0.00013   -0.43489
 27 O    -1.69226    0.01335   -0.71787
 28 O     1.69226    0.01335   -0.71787
 29 O    -0.00000    0.04409   -1.39024
 30 O     0.00000   -0.00435    1.83050
 31 Pt   -0.00000    0.01933    0.51075
 32 Pt    0.00000   -0.13623    0.58425
 33 O    -1.61335   -0.01907    0.06982
 34 O     1.61335   -0.01907    0.06982
 35 O     0.00000   -0.03247   -0.52696
 36 O    -0.00000    0.23227   -0.12729
 37 Pt    0.00000   -0.34825   -0.04610
 38 Pt    0.00000   -0.00347   -0.01088
 39 O     0.01104    0.01141    0.01557
 40 O    -0.01104    0.01141    0.01557
 41 O    -0.00000    0.00445    0.00110
 42 O    -0.00000    0.03791   -0.01807
 43 Pt    0.00000   -0.01144    0.13103
 44 Pt    0.00000   -0.08961    0.03478
 45 O    -0.22679   -0.42304    0.26735
 46 O     0.22679   -0.42304    0.26735
 47 O     0.00000   -0.02467   -0.06338
 48 O    -0.00000    0.02235    1.17296
 49 Pt    0.00000   -0.02295   -0.37884
 50 Pt   -0.00000    0.02108   -0.43668
 51 O    -1.69166   -0.01395   -0.71790
 52 O     1.69166   -0.01395   -0.71790
 53 O     0.00000   -0.01020   -1.40564
 54 O     0.00000   -0.00203    1.77383
 55 Pt    0.00000   -0.01212    0.51613
 56 Pt   -0.00000    0.11909    0.65793
 57 O    -1.61405    0.01387    0.08998
 58 O     1.61405    0.01387    0.08998
 59 O     0.00000   -0.02124   -0.51832
 60 O     0.00000   -0.22302   -0.12338
 61 Pt   -0.00000    0.01236   -0.09921
 62 Pt   -0.00000    0.01696   -0.00571
 63 O    -0.01499   -0.00816    0.00285
 64 O     0.01499   -0.00816    0.00285
 65 O     0.00000    0.00103    0.00101
 66 O     0.00000   -0.01617   -0.00637
 67 Pt   -0.00000    0.00744    0.02901
 68 Pt   -0.00000    0.15045    0.02278
 69 O    -0.01030   -0.00357   -0.02881
 70 O     0.01030   -0.00357   -0.02881
 71 O    -0.00000    0.00877   -0.06002
 72 N    -0.00000    0.69045    0.12913
 73 N     0.00000   -0.66163   -0.07096

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N   Pt            
          O Pt   O     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    3.598059   24.950406    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.517503   24.727835    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:30:32  -2.53   +inf  -414.297053    3      1      
iter:   2  14:32:36  -3.22  -3.07  -414.502858    3      1      
iter:   3  14:34:41  -3.64  -2.46  -414.312309    3      1      
iter:   4  14:36:45  -4.08  -3.11  -414.297522    3      1      
iter:   5  14:38:44  -4.33  -3.68  -414.295485    3      1      
iter:   6  14:40:46  -4.33  -3.96  -414.296812    3      1      
iter:   7  14:42:47  -4.51  -3.58  -414.294704    2      1      
iter:   8  14:44:48  -5.04  -4.12  -414.294981    2      1      
iter:   9  14:46:50  -5.50  -4.29  -414.295244    3      1      
iter:  10  14:48:52  -5.91  -4.19  -414.294333    2      1      
iter:  11  14:50:53  -6.16  -4.18  -414.295053    3      1      
iter:  12  14:52:55  -6.51  -4.52  -414.294838    2      1      
iter:  13  14:54:56  -6.74  -4.27  -414.295024    2      1      
iter:  14  14:56:57  -6.68  -4.52  -414.295048    2      1      
iter:  15  14:58:58  -6.89  -4.61  -414.294975    2      1      
iter:  16  15:01:01  -7.37  -4.56  -414.295123    2      1      
iter:  17  15:03:03  -7.22  -4.74  -414.294814    2      1      
iter:  18  15:04:59  -7.73  -4.91  -414.294951    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963658, -32.504872, -0.025081) |e|*Ang

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

Kinetic:        +18.110835
Potential:     -137.238290
External:        +0.000000
XC:            -304.880499
Entropy (-ST):   -1.566388
Local:          +10.496196
--------------------------
Free energy:   -415.078145
Extrapolated:  -414.294951

Fermi level: -6.55488

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62108    0.14660
  0   340     -6.60898    0.14045
  0   341     -6.60842    0.14016
  0   342     -6.58223    0.12621

  1   339     -6.52879    0.19340
  1   340     -6.48088    0.14356
  1   341     -6.45026    0.11554
  1   342     -6.44361    0.10994



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17519
  1 Pt    0.00000   -0.00285   -0.37543
  2 Pt    0.00000   -0.01910   -0.43290
  3 O    -1.68149    0.00025   -0.71842
  4 O     1.68149    0.00025   -0.71842
  5 O     0.00000   -0.01102   -1.38743
  6 O     0.00000   -0.00275    1.77249
  7 Pt   -0.00000    0.01379    0.45339
  8 Pt    0.00000   -0.04160    0.75613
  9 O    -1.58067    0.00059    0.05119
 10 O     1.58067    0.00059    0.05119
 11 O     0.00000   -0.00882   -0.56756
 12 O    -0.00000    0.00872    0.13671
 13 Pt   -0.00000    0.31485   -0.03531
 14 Pt    0.00000   -0.02032    0.00976
 15 O    -0.00086    0.01111    0.00338
 16 O     0.00086    0.01111    0.00338
 17 O    -0.00000    0.01087   -1.17351
 18 O    -0.00000    0.00078    0.02739
 19 Pt    0.00000   -0.01919    0.14620
 20 Pt    0.00000   -0.03948    0.23877
 21 O    -0.22049    0.40913    0.23947
 22 O     0.22049    0.40913    0.23947
 23 O     0.00000   -0.01426   -0.09036
 24 O     0.00000   -0.00077    1.15102
 25 Pt   -0.00000    0.01768   -0.37808
 26 Pt    0.00000   -0.00008   -0.43379
 27 O    -1.68999    0.01334   -0.71779
 28 O     1.68999    0.01334   -0.71779
 29 O    -0.00000    0.04407   -1.39083
 30 O     0.00000   -0.00444    1.83858
 31 Pt   -0.00000    0.01932    0.51346
 32 Pt    0.00000   -0.13640    0.58599
 33 O    -1.61329   -0.01906    0.07034
 34 O     1.61329   -0.01906    0.07034
 35 O     0.00000   -0.03254   -0.52664
 36 O    -0.00000    0.23188   -0.12732
 37 Pt    0.00000   -0.34766   -0.04469
 38 Pt    0.00000   -0.00336   -0.01007
 39 O     0.01044    0.01136    0.01575
 40 O    -0.01044    0.01136    0.01575
 41 O    -0.00000    0.00489    0.00665
 42 O    -0.00000    0.03792   -0.01883
 43 Pt    0.00000   -0.01186    0.13329
 44 Pt    0.00000   -0.09179    0.04013
 45 O    -0.22834   -0.42322    0.26944
 46 O     0.22834   -0.42322    0.26944
 47 O     0.00000   -0.02519   -0.06302
 48 O    -0.00000    0.02237    1.17302
 49 Pt    0.00000   -0.02294   -0.37765
 50 Pt   -0.00000    0.02109   -0.43569
 51 O    -1.68943   -0.01391   -0.71786
 52 O     1.68943   -0.01391   -0.71786
 53 O     0.00000   -0.01022   -1.40635
 54 O     0.00000   -0.00205    1.78156
 55 Pt    0.00000   -0.01217    0.51891
 56 Pt   -0.00000    0.11914    0.65979
 57 O    -1.61392    0.01378    0.09053
 58 O     1.61392    0.01378    0.09053
 59 O     0.00000   -0.02124   -0.51786
 60 O     0.00000   -0.22261   -0.12314
 61 Pt   -0.00000    0.01210   -0.09760
 62 Pt   -0.00000    0.01699   -0.00466
 63 O    -0.01562   -0.00814    0.00303
 64 O     0.01562   -0.00814    0.00303
 65 O     0.00000    0.00090    0.00643
 66 O     0.00000   -0.01606   -0.00731
 67 Pt   -0.00000    0.00757    0.02906
 68 Pt   -0.00000    0.15110    0.02282
 69 O    -0.01099   -0.00379   -0.02854
 70 O     0.01099   -0.00379   -0.02854
 71 O    -0.00000    0.00864   -0.06072
 72 N    -0.00000    0.22514    0.10097
 73 N     0.00000   -0.21293    0.00648

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N   Pt            
          O Pt   O     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    3.588276   24.989077    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.512255   24.730954    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:15:01  -2.50   +inf  -414.516451    3      1      
iter:   2  15:17:06  -2.48  -2.41  -420.398504    3      1      
iter:   3  15:19:07  -2.93  -1.76  -414.396538    4      1      
iter:   4  15:21:09  -3.37  -2.62  -414.306996    3      1      
iter:   5  15:23:10  -3.92  -3.38  -414.299169    3      1      
iter:   6  15:25:10  -4.25  -3.52  -414.296948    3      1      
iter:   7  15:27:13  -4.60  -3.68  -414.296766    2      1      
iter:   8  15:29:17  -4.67  -3.89  -414.296868    3      1      
iter:   9  15:31:20  -4.94  -3.76  -414.296021    2      1      
iter:  10  15:33:23  -5.32  -4.02  -414.296008    2      1      
iter:  11  15:35:20  -5.60  -4.20  -414.294823    2      1      
iter:  12  15:37:19  -6.34  -4.10  -414.295669    2      1      
iter:  13  15:39:21  -6.35  -4.30  -414.295617    2      1      
iter:  14  15:41:21  -6.48  -4.14  -414.295586    2      1      
iter:  15  15:43:21  -6.61  -4.18  -414.295775    2      1      
iter:  16  15:45:21  -6.54  -4.52  -414.295838    2      1      
iter:  17  15:47:14  -6.81  -4.36  -414.295889    2      1      
iter:  18  15:49:06  -6.77  -4.48  -414.295492    2      1      
iter:  19  15:50:58  -7.60  -4.83  -414.295668    2      1      

Converged after 19 iterations.

Dipole moment: (-55.963653, -32.506317, -0.025407) |e|*Ang

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

Kinetic:        +17.601548
Potential:     -136.840922
External:        +0.000000
XC:            -304.771293
Entropy (-ST):   -1.566428
Local:          +10.498214
--------------------------
Free energy:   -415.078882
Extrapolated:  -414.295668

Fermi level: -6.55593

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62270    0.14689
  0   340     -6.60971    0.14029
  0   341     -6.60905    0.13994
  0   342     -6.58347    0.12631

  1   339     -6.52961    0.19314
  1   340     -6.48166    0.14329
  1   341     -6.45136    0.11558
  1   342     -6.44471    0.10998



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17526
  1 Pt    0.00000   -0.00284   -0.37610
  2 Pt    0.00000   -0.01909   -0.43341
  3 O    -1.68402    0.00025   -0.71837
  4 O     1.68402    0.00025   -0.71837
  5 O     0.00000   -0.01101   -1.38674
  6 O     0.00000   -0.00280    1.76499
  7 Pt   -0.00000    0.01380    0.45122
  8 Pt    0.00000   -0.04167    0.75458
  9 O    -1.58112    0.00060    0.05134
 10 O     1.58112    0.00060    0.05134
 11 O     0.00000   -0.00883   -0.56742
 12 O    -0.00000    0.00851    0.13698
 13 Pt   -0.00000    0.31453   -0.03637
 14 Pt    0.00000   -0.02024    0.00891
 15 O    -0.00051    0.01108    0.00379
 16 O     0.00051    0.01108    0.00379
 17 O    -0.00000    0.01064   -1.17845
 18 O    -0.00000    0.00102    0.02890
 19 Pt    0.00000   -0.01918    0.14368
 20 Pt    0.00000   -0.03925    0.23181
 21 O    -0.22009    0.40839    0.23844
 22 O     0.22009    0.40839    0.23844
 23 O     0.00000   -0.01513   -0.09217
 24 O     0.00000   -0.00077    1.15110
 25 Pt   -0.00000    0.01768   -0.37876
 26 Pt    0.00000   -0.00007   -0.43431
 27 O    -1.69251    0.01335   -0.71774
 28 O     1.69251    0.01335   -0.71774
 29 O    -0.00000    0.04408   -1.39020
 30 O     0.00000   -0.00442    1.83100
 31 Pt   -0.00000    0.01931    0.51132
 32 Pt    0.00000   -0.13639    0.58435
 33 O    -1.61373   -0.01907    0.07048
 34 O     1.61373   -0.01907    0.07048
 35 O     0.00000   -0.03252   -0.52653
 36 O    -0.00000    0.23220   -0.12717
 37 Pt    0.00000   -0.34709   -0.04567
 38 Pt    0.00000   -0.00339   -0.01079
 39 O     0.01072    0.01139    0.01621
 40 O    -0.01072    0.01139    0.01621
 41 O    -0.00000    0.00491   -0.00129
 42 O    -0.00000    0.03771   -0.01737
 43 Pt    0.00000   -0.01207    0.12966
 44 Pt    0.00000   -0.09168    0.03458
 45 O    -0.22730   -0.42250    0.26692
 46 O     0.22730   -0.42250    0.26692
 47 O     0.00000   -0.02430   -0.06418
 48 O    -0.00000    0.02236    1.17311
 49 Pt    0.00000   -0.02295   -0.37830
 50 Pt   -0.00000    0.02108   -0.43621
 51 O    -1.69195   -0.01392   -0.71778
 52 O     1.69195   -0.01392   -0.71778
 53 O     0.00000   -0.01024   -1.40568
 54 O     0.00000   -0.00203    1.77399
 55 Pt    0.00000   -0.01217    0.51674
 56 Pt   -0.00000    0.11920    0.65812
 57 O    -1.61437    0.01377    0.09068
 58 O     1.61437    0.01377    0.09068
 59 O     0.00000   -0.02123   -0.51774
 60 O     0.00000   -0.22272   -0.12308
 61 Pt   -0.00000    0.01187   -0.09850
 62 Pt   -0.00000    0.01693   -0.00542
 63 O    -0.01534   -0.00813    0.00348
 64 O     0.01534   -0.00813    0.00348
 65 O     0.00000    0.00092   -0.00019
 66 O     0.00000   -0.01610   -0.00576
 67 Pt   -0.00000    0.00780    0.02653
 68 Pt   -0.00000    0.15112    0.01865
 69 O    -0.01045   -0.00360   -0.02951
 70 O     0.01045   -0.00360   -0.02951
 71 O    -0.00000    0.00858   -0.06155
 72 N     0.00000   -0.27927   -0.04734
 73 N    -0.00000    0.24194    0.10898

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N   Pt            
          O Pt   O     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    3.577866   25.026024    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.507434   24.734522    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:01:44  -2.53   +inf  -414.292523    3      1      
iter:   2  16:03:48  -3.27  -3.27  -414.350417    3      1      
iter:   3  16:05:53  -3.70  -2.78  -414.307881    3      1      
iter:   4  16:07:58  -4.11  -3.13  -414.296813    3      1      
iter:   5  16:10:03  -4.32  -3.73  -414.296210    3      1      
iter:   6  16:12:05  -4.23  -3.81  -414.295952    3      1      
iter:   7  16:14:04  -4.68  -3.79  -414.295017    2      1      
iter:   8  16:16:06  -5.12  -4.31  -414.295767    2      1      
iter:   9  16:18:06  -5.52  -4.01  -414.294466    2      1      
iter:  10  16:20:07  -6.05  -4.13  -414.295397    2      1      
iter:  11  16:22:08  -6.15  -3.86  -414.294967    2      1      
iter:  12  16:24:09  -6.38  -4.54  -414.294987    2      1      
iter:  13  16:26:10  -6.58  -4.75  -414.295204    2      1      
iter:  14  16:28:10  -6.82  -4.53  -414.294995    2      1      
iter:  15  16:30:11  -7.18  -4.82  -414.295179    2      1      
iter:  16  16:32:12  -7.47  -4.74  -414.295052    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963630, -32.508369, -0.026515) |e|*Ang

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

Kinetic:        +17.125031
Potential:     -136.461175
External:        +0.000000
XC:            -304.673727
Entropy (-ST):   -1.566443
Local:          +10.498041
--------------------------
Free energy:   -415.078274
Extrapolated:  -414.295052

Fermi level: -6.55543

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62150    0.14654
  0   340     -6.60975    0.14057
  0   341     -6.60925    0.14031
  0   342     -6.58277    0.12621

  1   339     -6.52958    0.19366
  1   340     -6.48159    0.14372
  1   341     -6.45091    0.11563
  1   342     -6.44417    0.10995



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17499
  1 Pt    0.00000   -0.00285   -0.37468
  2 Pt    0.00000   -0.01911   -0.43201
  3 O    -1.67978    0.00025   -0.71845
  4 O     1.67978    0.00025   -0.71845
  5 O     0.00000   -0.01096   -1.38782
  6 O     0.00000   -0.00270    1.77877
  7 Pt   -0.00000    0.01380    0.45564
  8 Pt    0.00000   -0.04165    0.75785
  9 O    -1.58065    0.00061    0.05145
 10 O     1.58065    0.00061    0.05145
 11 O     0.00000   -0.00883   -0.56721
 12 O    -0.00000    0.00841    0.13659
 13 Pt   -0.00000    0.31404   -0.03386
 14 Pt    0.00000   -0.02043    0.01033
 15 O    -0.00134    0.01108    0.00360
 16 O     0.00134    0.01108    0.00360
 17 O    -0.00000    0.01048   -1.16717
 18 O    -0.00000    0.00086    0.02707
 19 Pt    0.00000   -0.01867    0.14455
 20 Pt    0.00000   -0.03908    0.23110
 21 O    -0.22137    0.40928    0.23794
 22 O     0.22137    0.40928    0.23794
 23 O     0.00000   -0.01538   -0.09281
 24 O     0.00000   -0.00076    1.15083
 25 Pt   -0.00000    0.01767   -0.37728
 26 Pt    0.00000   -0.00009   -0.43287
 27 O    -1.68828    0.01334   -0.71783
 28 O     1.68828    0.01334   -0.71783
 29 O    -0.00000    0.04405   -1.39119
 30 O     0.00000   -0.00445    1.84487
 31 Pt   -0.00000    0.01930    0.51564
 32 Pt    0.00000   -0.13647    0.58759
 33 O    -1.61328   -0.01906    0.07057
 34 O     1.61328   -0.01906    0.07057
 35 O     0.00000   -0.03254   -0.52627
 36 O    -0.00000    0.23165   -0.12717
 37 Pt    0.00000   -0.34645   -0.04310
 38 Pt    0.00000   -0.00326   -0.00945
 39 O     0.00999    0.01131    0.01611
 40 O    -0.00999    0.01131    0.01611
 41 O    -0.00000    0.00534    0.00866
 42 O    -0.00000    0.03775   -0.01913
 43 Pt    0.00000   -0.01259    0.13015
 44 Pt    0.00000   -0.09227    0.03334
 45 O    -0.22854   -0.42328    0.26622
 46 O     0.22854   -0.42328    0.26622
 47 O     0.00000   -0.02411   -0.06442
 48 O    -0.00000    0.02237    1.17282
 49 Pt    0.00000   -0.02293   -0.37689
 50 Pt   -0.00000    0.02110   -0.43481
 51 O    -1.68772   -0.01391   -0.71790
 52 O     1.68772   -0.01391   -0.71790
 53 O     0.00000   -0.01026   -1.40678
 54 O     0.00000   -0.00207    1.78786
 55 Pt    0.00000   -0.01216    0.52115
 56 Pt   -0.00000    0.11926    0.66148
 57 O    -1.61389    0.01375    0.09080
 58 O     1.61389    0.01375    0.09080
 59 O     0.00000   -0.02124   -0.51736
 60 O     0.00000   -0.22205   -0.12295
 61 Pt   -0.00000    0.01175   -0.09583
 62 Pt   -0.00000    0.01700   -0.00408
 63 O    -0.01606   -0.00806    0.00325
 64 O     0.01606   -0.00806    0.00325
 65 O     0.00000    0.00069    0.00992
 66 O     0.00000   -0.01602   -0.00788
 67 Pt   -0.00000    0.00774    0.02703
 68 Pt   -0.00000    0.15189    0.01914
 69 O    -0.01170   -0.00370   -0.03001
 70 O     0.01170   -0.00370   -0.03001
 71 O    -0.00000    0.00866   -0.06159
 72 N     0.00000   -0.61157   -0.08216
 73 N    -0.00000    0.61013    0.24971

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.566456   25.064362    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.503090   24.741122    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:43:34  -2.48   +inf  -414.804699    3      1      
iter:   2  16:45:40  -2.17  -2.24  -426.505486    4      1      
iter:   3  16:47:45  -2.62  -1.62  -414.536236    4      1      
iter:   4  16:49:50  -2.98  -2.42  -414.314417    3      1      
iter:   5  16:51:52  -3.64  -3.21  -414.299859    3      1      
iter:   6  16:53:50  -4.15  -3.46  -414.299150    3      1      
iter:   7  16:55:52  -4.41  -3.50  -414.296071    2      1      
iter:   8  16:57:53  -4.67  -3.86  -414.296694    2      1      
iter:   9  17:00:08  -4.85  -3.77  -414.295890    2      1      
iter:  10  17:02:11  -5.20  -3.81  -414.295379    2      1      
iter:  11  17:04:13  -5.62  -4.05  -414.295108    2      1      
iter:  12  17:06:16  -5.90  -4.17  -414.295335    2      1      
iter:  13  17:08:18  -6.48  -4.05  -414.295154    2      1      
iter:  14  17:10:19  -6.46  -4.50  -414.294793    2      1      
iter:  15  17:12:21  -6.62  -4.34  -414.295358    2      1      
iter:  16  17:14:23  -7.01  -4.51  -414.295105    2      1      
iter:  17  17:16:23  -7.09  -4.74  -414.295100    2      1      
iter:  18  17:18:16  -7.46  -4.91  -414.295016    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963695, -32.509733, -0.026383) |e|*Ang

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

Kinetic:        +16.720030
Potential:     -136.129882
External:        +0.000000
XC:            -304.600221
Entropy (-ST):   -1.566479
Local:          +10.498296
--------------------------
Free energy:   -415.078255
Extrapolated:  -414.295016

Fermi level: -6.55626

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62283    0.14679
  0   340     -6.61023    0.14039
  0   341     -6.60962    0.14007
  0   342     -6.58379    0.12631

  1   339     -6.53007    0.19329
  1   340     -6.48212    0.14342
  1   341     -6.45177    0.11565
  1   342     -6.44503    0.10997



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17324
  1 Pt    0.00000   -0.00282   -0.37528
  2 Pt    0.00000   -0.01910   -0.43190
  3 O    -1.68179    0.00026   -0.71834
  4 O     1.68179    0.00026   -0.71834
  5 O     0.00000   -0.01099   -1.38635
  6 O     0.00000   -0.00285    1.77158
  7 Pt   -0.00000    0.01382    0.45326
  8 Pt    0.00000   -0.04175    0.75616
  9 O    -1.58056    0.00059    0.05194
 10 O     1.58056    0.00059    0.05194
 11 O     0.00000   -0.00884   -0.56724
 12 O    -0.00000    0.00846    0.13665
 13 Pt   -0.00000    0.31388   -0.03505
 14 Pt    0.00000   -0.02016    0.00894
 15 O    -0.00065    0.01105    0.00370
 16 O     0.00065    0.01105    0.00370
 17 O    -0.00000    0.01016   -1.17483
 18 O    -0.00000    0.00104    0.02769
 19 Pt    0.00000   -0.01875    0.14516
 20 Pt    0.00000   -0.03703    0.23474
 21 O    -0.22021    0.40793    0.24152
 22 O     0.22021    0.40793    0.24152
 23 O     0.00000   -0.01493   -0.09093
 24 O     0.00000   -0.00077    1.14912
 25 Pt   -0.00000    0.01769   -0.37796
 26 Pt    0.00000   -0.00009   -0.43278
 27 O    -1.69029    0.01333   -0.71773
 28 O     1.69029    0.01333   -0.71773
 29 O    -0.00000    0.04412   -1.38977
 30 O     0.00000   -0.00442    1.83763
 31 Pt   -0.00000    0.01932    0.51339
 32 Pt    0.00000   -0.13641    0.58581
 33 O    -1.61315   -0.01906    0.07109
 34 O     1.61315   -0.01906    0.07109
 35 O     0.00000   -0.03255   -0.52632
 36 O    -0.00000    0.23186   -0.12727
 37 Pt    0.00000   -0.34607   -0.04448
 38 Pt    0.00000   -0.00348   -0.01078
 39 O     0.01054    0.01140    0.01611
 40 O    -0.01054    0.01140    0.01611
 41 O    -0.00000    0.00552   -0.00105
 42 O    -0.00000    0.03742   -0.01857
 43 Pt    0.00000   -0.01274    0.13287
 44 Pt    0.00000   -0.09451    0.03879
 45 O    -0.22764   -0.42187    0.27089
 46 O     0.22764   -0.42187    0.27089
 47 O     0.00000   -0.02475   -0.06172
 48 O    -0.00000    0.02235    1.17114
 49 Pt    0.00000   -0.02298   -0.37749
 50 Pt   -0.00000    0.02110   -0.43467
 51 O    -1.68973   -0.01391   -0.71778
 52 O     1.68973   -0.01391   -0.71778
 53 O     0.00000   -0.01030   -1.40518
 54 O     0.00000   -0.00198    1.78062
 55 Pt    0.00000   -0.01219    0.51878
 56 Pt   -0.00000    0.11930    0.65950
 57 O    -1.61380    0.01378    0.09129
 58 O     1.61380    0.01378    0.09129
 59 O     0.00000   -0.02121   -0.51762
 60 O     0.00000   -0.22231   -0.12305
 61 Pt   -0.00000    0.01155   -0.09699
 62 Pt   -0.00000    0.01695   -0.00522
 63 O    -0.01549   -0.00812    0.00334
 64 O     0.01549   -0.00812    0.00334
 65 O     0.00000    0.00063    0.00127
 66 O     0.00000   -0.01586   -0.00704
 67 Pt   -0.00000    0.00798    0.02790
 68 Pt   -0.00000    0.15232    0.01935
 69 O    -0.01061   -0.00370   -0.02596
 70 O     0.01061   -0.00370   -0.02596
 71 O    -0.00000    0.00878   -0.05980
 72 N     0.00000   -0.83853   -0.25097
 73 N    -0.00000    0.92377    0.20978

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.562925   25.066956    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.503189   24.740884    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:27:48  -4.21   +inf  -414.310269    3      1      
iter:   2  17:29:54  -4.25  -3.22  -414.375228    3      1      
iter:   3  17:31:57  -4.35  -2.66  -414.298399    3      1      
iter:   4  17:33:59  -4.86  -3.19  -414.297700    3      1      
iter:   5  17:36:00  -5.58  -4.16  -414.297109    3      1      
iter:   6  17:38:01  -5.56  -4.03  -414.297056    3      1      
iter:   7  17:40:02  -5.47  -4.01  -414.297128    3      1      
iter:   8  17:42:03  -5.84  -4.41  -414.297186    2      1      
iter:   9  17:44:09  -6.32  -4.33  -414.297083    2      1      
iter:  10  17:46:13  -6.61  -4.65  -414.297325    2      1      
iter:  11  17:48:17  -7.39  -4.67  -414.297115    2      1      
iter:  12  17:50:22  -7.27  -4.71  -414.297139    2      1      
iter:  13  17:52:25  -7.36  -4.91  -414.297102    2      1      
iter:  14  17:54:14  -7.60  -4.73  -414.297070    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963663, -32.508301, -0.030549) |e|*Ang

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

Kinetic:        +17.160149
Potential:     -136.484404
External:        +0.000000
XC:            -304.689376
Entropy (-ST):   -1.566561
Local:          +10.499841
--------------------------
Free energy:   -415.080351
Extrapolated:  -414.297070

Fermi level: -6.55973

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62651    0.14689
  0   340     -6.61354    0.14031
  0   341     -6.61289    0.13997
  0   342     -6.58733    0.12635

  1   339     -6.53354    0.19328
  1   340     -6.48547    0.14330
  1   341     -6.45524    0.11564
  1   342     -6.44851    0.10998



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17570
  1 Pt    0.00000   -0.00282   -0.37579
  2 Pt    0.00000   -0.01909   -0.43320
  3 O    -1.68285    0.00026   -0.71845
  4 O     1.68285    0.00026   -0.71845
  5 O     0.00000   -0.01100   -1.38720
  6 O     0.00000   -0.00279    1.76711
  7 Pt   -0.00000    0.01378    0.45166
  8 Pt    0.00000   -0.04174    0.75540
  9 O    -1.58092    0.00058    0.05100
 10 O     1.58092    0.00058    0.05100
 11 O     0.00000   -0.00885   -0.56795
 12 O    -0.00000    0.00843    0.13660
 13 Pt   -0.00000    0.31381   -0.03742
 14 Pt    0.00000   -0.02033    0.00805
 15 O    -0.00051    0.01105    0.00291
 16 O     0.00051    0.01105    0.00291
 17 O    -0.00000    0.01004   -1.17616
 18 O    -0.00000    0.00079    0.02841
 19 Pt    0.00000   -0.01815    0.14588
 20 Pt    0.00000   -0.03702    0.23748
 21 O    -0.21945    0.40833    0.24079
 22 O     0.21945    0.40833    0.24079
 23 O     0.00000   -0.01393   -0.09241
 24 O     0.00000   -0.00077    1.15153
 25 Pt   -0.00000    0.01768   -0.37845
 26 Pt    0.00000   -0.00009   -0.43406
 27 O    -1.69135    0.01335   -0.71783
 28 O     1.69135    0.01335   -0.71783
 29 O    -0.00000    0.04410   -1.39063
 30 O     0.00000   -0.00443    1.83318
 31 Pt   -0.00000    0.01932    0.51174
 32 Pt    0.00000   -0.13642    0.58507
 33 O    -1.61350   -0.01905    0.07014
 34 O     1.61350   -0.01905    0.07014
 35 O     0.00000   -0.03253   -0.52699
 36 O    -0.00000    0.23165   -0.12722
 37 Pt    0.00000   -0.34591   -0.04711
 38 Pt    0.00000   -0.00329   -0.01174
 39 O     0.01075    0.01140    0.01517
 40 O    -0.01075    0.01140    0.01517
 41 O    -0.00000    0.00541   -0.00308
 42 O    -0.00000    0.03772   -0.01785
 43 Pt    0.00000   -0.01277    0.13505
 44 Pt    0.00000   -0.09423    0.04268
 45 O    -0.22768   -0.42185    0.27284
 46 O     0.22768   -0.42185    0.27284
 47 O     0.00000   -0.02534   -0.06267
 48 O    -0.00000    0.02237    1.17354
 49 Pt    0.00000   -0.02297   -0.37800
 50 Pt   -0.00000    0.02109   -0.43597
 51 O    -1.69078   -0.01393   -0.71788
 52 O     1.69078   -0.01393   -0.71788
 53 O     0.00000   -0.01027   -1.40603
 54 O     0.00000   -0.00203    1.77624
 55 Pt    0.00000   -0.01216    0.51719
 56 Pt   -0.00000    0.11930    0.65880
 57 O    -1.61414    0.01378    0.09036
 58 O     1.61414    0.01378    0.09036
 59 O     0.00000   -0.02121   -0.51817
 60 O     0.00000   -0.22209   -0.12304
 61 Pt   -0.00000    0.01145   -0.09929
 62 Pt   -0.00000    0.01693   -0.00615
 63 O    -0.01536   -0.00812    0.00256
 64 O     0.01536   -0.00812    0.00256
 65 O     0.00000    0.00085   -0.00043
 66 O     0.00000   -0.01588   -0.00637
 67 Pt   -0.00000    0.00741    0.02918
 68 Pt   -0.00000    0.15213    0.02311
 69 O    -0.00971   -0.00423   -0.02647
 70 O     0.00971   -0.00423   -0.02647
 71 O    -0.00000    0.00839   -0.06041
 72 N     0.00000   -0.53504   -0.08003
 73 N    -0.00000    0.57355    0.14038

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.545864   25.099941    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.500876   24.743616    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:04:24  -2.57   +inf  -414.359636    4      1      
iter:   2  18:06:15  -3.06  -2.79  -415.180011    4      1      
iter:   3  18:08:04  -3.38  -2.13  -414.329120    3      1      
iter:   4  18:09:53  -3.85  -2.84  -414.305523    3      1      
iter:   5  18:11:41  -4.40  -3.59  -414.301441    3      1      
iter:   6  18:13:29  -4.41  -3.70  -414.298397    3      1      
iter:   7  18:15:18  -4.92  -3.76  -414.299203    3      1      
iter:   8  18:17:07  -4.60  -3.98  -414.299568    3      1      
iter:   9  18:18:58  -5.14  -4.22  -414.299389    3      1      
iter:  10  18:20:48  -5.29  -4.03  -414.300434    3      1      
iter:  11  18:22:38  -5.80  -3.82  -414.298485    3      1      
iter:  12  18:24:27  -6.01  -4.01  -414.299786    2      1      
iter:  13  18:26:16  -6.31  -4.25  -414.299378    2      1      
iter:  14  18:28:04  -6.37  -4.50  -414.299199    2      1      
iter:  15  18:29:52  -6.55  -4.56  -414.299171    2      1      
iter:  16  18:31:41  -6.92  -4.69  -414.299083    2      1      
iter:  17  18:33:30  -6.89  -4.43  -414.299499    2      1      
iter:  18  18:35:13  -7.04  -4.72  -414.299039    2      1      
iter:  19  18:36:56  -7.15  -4.63  -414.299339    2      1      
iter:  20  18:38:39  -7.19  -5.04  -414.299337    2      1      
iter:  21  18:40:21  -7.77  -4.99  -414.299305    2      1      

Converged after 21 iterations.

Dipole moment: (-55.963678, -32.511473, -0.026565) |e|*Ang

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

Kinetic:        +17.852946
Potential:     -137.028714
External:        +0.000000
XC:            -304.838540
Entropy (-ST):   -1.566314
Local:          +10.498159
--------------------------
Free energy:   -415.082462
Extrapolated:  -414.299305

Fermi level: -6.55660

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62336    0.14688
  0   340     -6.61048    0.14034
  0   341     -6.60984    0.14001
  0   342     -6.58416    0.12633

  1   339     -6.53031    0.19318
  1   340     -6.48242    0.14338
  1   341     -6.45210    0.11564
  1   342     -6.44533    0.10994



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17519
  1 Pt    0.00000   -0.00281   -0.37646
  2 Pt    0.00000   -0.01910   -0.43363
  3 O    -1.68333    0.00026   -0.71832
  4 O     1.68333    0.00026   -0.71832
  5 O     0.00000   -0.01099   -1.38704
  6 O     0.00000   -0.00279    1.76621
  7 Pt   -0.00000    0.01382    0.45164
  8 Pt    0.00000   -0.04176    0.75523
  9 O    -1.58094    0.00061    0.05093
 10 O     1.58094    0.00061    0.05093
 11 O     0.00000   -0.00884   -0.56765
 12 O    -0.00000    0.00842    0.13596
 13 Pt   -0.00000    0.31356   -0.03691
 14 Pt    0.00000   -0.02029    0.00836
 15 O    -0.00066    0.01112    0.00312
 16 O     0.00066    0.01112    0.00312
 17 O    -0.00000    0.00986   -1.17149
 18 O    -0.00000    0.00077    0.02769
 19 Pt    0.00000   -0.01785    0.14739
 20 Pt    0.00000   -0.03655    0.23988
 21 O    -0.22009    0.40886    0.24016
 22 O     0.22009    0.40886    0.24016
 23 O     0.00000   -0.01342   -0.08935
 24 O     0.00000   -0.00075    1.15102
 25 Pt   -0.00000    0.01767   -0.37910
 26 Pt    0.00000   -0.00008   -0.43448
 27 O    -1.69182    0.01334   -0.71771
 28 O     1.69182    0.01334   -0.71771
 29 O    -0.00000    0.04411   -1.39050
 30 O     0.00000   -0.00438    1.83226
 31 Pt   -0.00000    0.01928    0.51174
 32 Pt    0.00000   -0.13643    0.58492
 33 O    -1.61353   -0.01907    0.07006
 34 O     1.61353   -0.01907    0.07006
 35 O     0.00000   -0.03251   -0.52670
 36 O    -0.00000    0.23159   -0.12783
 37 Pt    0.00000   -0.34543   -0.04651
 38 Pt    0.00000   -0.00330   -0.01142
 39 O     0.01057    0.01133    0.01540
 40 O    -0.01057    0.01133    0.01540
 41 O    -0.00000    0.00561   -0.00053
 42 O    -0.00000    0.03793   -0.01859
 43 Pt    0.00000   -0.01331    0.13750
 44 Pt    0.00000   -0.09451    0.04576
 45 O    -0.22844   -0.42227    0.27315
 46 O     0.22844   -0.42227    0.27315
 47 O     0.00000   -0.02580   -0.05934
 48 O    -0.00000    0.02236    1.17303
 49 Pt    0.00000   -0.02298   -0.37867
 50 Pt   -0.00000    0.02109   -0.43641
 51 O    -1.69126   -0.01392   -0.71775
 52 O     1.69126   -0.01392   -0.71775
 53 O     0.00000   -0.01029   -1.40589
 54 O     0.00000   -0.00207    1.77526
 55 Pt    0.00000   -0.01217    0.51716
 56 Pt   -0.00000    0.11933    0.65864
 57 O    -1.61416    0.01376    0.09030
 58 O     1.61416    0.01376    0.09030
 59 O     0.00000   -0.02124   -0.51789
 60 O     0.00000   -0.22200   -0.12357
 61 Pt   -0.00000    0.01121   -0.09863
 62 Pt   -0.00000    0.01690   -0.00588
 63 O    -0.01541   -0.00812    0.00272
 64 O     0.01541   -0.00812    0.00272
 65 O     0.00000    0.00079    0.00225
 66 O     0.00000   -0.01607   -0.00717
 67 Pt   -0.00000    0.00762    0.03032
 68 Pt   -0.00000    0.15209    0.02402
 69 O    -0.01044   -0.00432   -0.02726
 70 O     0.01044   -0.00432   -0.02726
 71 O    -0.00000    0.00832   -0.05837
 72 N    -0.00000    0.10226   -0.00827
 73 N     0.00000   -0.07353   -0.08202

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.529809   25.132680    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.498080   24.745595    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:54:00  -2.58   +inf  -414.304640    3      1      
iter:   2  18:55:52  -3.32  -3.41  -414.316572    3      1      
iter:   3  18:57:42  -3.76  -2.89  -414.302848    3      1      
iter:   4  18:59:32  -4.13  -3.25  -414.301528    3      1      
iter:   5  19:01:21  -4.24  -3.83  -414.299188    3      1      
iter:   6  19:03:09  -4.33  -3.60  -414.299037    3      1      
iter:   7  19:04:58  -4.80  -3.97  -414.299439    2      1      
iter:   8  19:06:46  -5.07  -4.29  -414.299652    3      1      
iter:   9  19:08:35  -5.56  -4.33  -414.299833    2      1      
iter:  10  19:10:26  -5.84  -4.29  -414.299699    3      1      
iter:  11  19:12:16  -6.32  -4.09  -414.299357    2      1      
iter:  12  19:14:05  -6.74  -4.63  -414.299662    2      1      
iter:  13  19:15:54  -6.62  -4.60  -414.299342    2      1      
iter:  14  19:17:43  -7.27  -4.84  -414.299413    2      1      
iter:  15  19:19:32  -7.59  -5.09  -414.299402    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963708, -32.513296, -0.026791) |e|*Ang

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

Kinetic:        +18.139700
Potential:     -137.252056
External:        +0.000000
XC:            -304.901769
Entropy (-ST):   -1.566378
Local:          +10.497912
--------------------------
Free energy:   -415.082591
Extrapolated:  -414.299402

Fermi level: -6.55727

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62421    0.14697
  0   340     -6.61105    0.14029
  0   341     -6.61038    0.13994
  0   342     -6.58491    0.12637

  1   339     -6.53093    0.19313
  1   340     -6.48299    0.14329
  1   341     -6.45280    0.11567
  1   342     -6.44602    0.10996



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17456
  1 Pt    0.00000   -0.00281   -0.37710
  2 Pt    0.00000   -0.01908   -0.43516
  3 O    -1.68336    0.00025   -0.71870
  4 O     1.68336    0.00025   -0.71870
  5 O     0.00000   -0.01096   -1.38679
  6 O     0.00000   -0.00279    1.76472
  7 Pt   -0.00000    0.01382    0.45100
  8 Pt    0.00000   -0.04179    0.75472
  9 O    -1.58100    0.00059    0.05093
 10 O     1.58100    0.00059    0.05093
 11 O     0.00000   -0.00885   -0.56764
 12 O    -0.00000    0.00832    0.13599
 13 Pt   -0.00000    0.31323   -0.03763
 14 Pt    0.00000   -0.02033    0.00793
 15 O    -0.00059    0.01109    0.00289
 16 O     0.00059    0.01109    0.00289
 17 O    -0.00000    0.00973   -1.17275
 18 O    -0.00000    0.00083    0.02796
 19 Pt    0.00000   -0.01791    0.14926
 20 Pt    0.00000   -0.03684    0.24105
 21 O    -0.21945    0.40826    0.24234
 22 O     0.21945    0.40826    0.24234
 23 O     0.00000   -0.01420   -0.08802
 24 O     0.00000   -0.00075    1.15039
 25 Pt   -0.00000    0.01769   -0.37974
 26 Pt    0.00000   -0.00007   -0.43603
 27 O    -1.69186    0.01337   -0.71808
 28 O     1.69186    0.01337   -0.71808
 29 O    -0.00000    0.04412   -1.39021
 30 O     0.00000   -0.00441    1.83060
 31 Pt   -0.00000    0.01926    0.51105
 32 Pt    0.00000   -0.13646    0.58425
 33 O    -1.61357   -0.01905    0.07006
 34 O     1.61357   -0.01905    0.07006
 35 O     0.00000   -0.03253   -0.52672
 36 O    -0.00000    0.23149   -0.12778
 37 Pt    0.00000   -0.34500   -0.04712
 38 Pt    0.00000   -0.00330   -0.01168
 39 O     0.01068    0.01132    0.01519
 40 O    -0.01068    0.01132    0.01519
 41 O    -0.00000    0.00572   -0.00351
 42 O    -0.00000    0.03780   -0.01835
 43 Pt    0.00000   -0.01349    0.13787
 44 Pt    0.00000   -0.09483    0.04681
 45 O    -0.22731   -0.42169    0.27349
 46 O     0.22731   -0.42169    0.27349
 47 O     0.00000   -0.02549   -0.05783
 48 O    -0.00000    0.02236    1.17240
 49 Pt    0.00000   -0.02299   -0.37930
 50 Pt   -0.00000    0.02107   -0.43796
 51 O    -1.69131   -0.01393   -0.71812
 52 O     1.69131   -0.01393   -0.71812
 53 O     0.00000   -0.01032   -1.40560
 54 O     0.00000   -0.00205    1.77373
 55 Pt    0.00000   -0.01215    0.51645
 56 Pt   -0.00000    0.11939    0.65799
 57 O    -1.61421    0.01377    0.09029
 58 O     1.61421    0.01377    0.09029
 59 O     0.00000   -0.02121   -0.51791
 60 O     0.00000   -0.22179   -0.12351
 61 Pt   -0.00000    0.01112   -0.09911
 62 Pt   -0.00000    0.01694   -0.00619
 63 O    -0.01538   -0.00808    0.00255
 64 O     0.01538   -0.00808    0.00255
 65 O     0.00000    0.00074   -0.00034
 66 O     0.00000   -0.01601   -0.00691
 67 Pt   -0.00000    0.00790    0.03143
 68 Pt   -0.00000    0.15285    0.02784
 69 O    -0.00954   -0.00422   -0.02544
 70 O     0.00954   -0.00422   -0.02544
 71 O    -0.00000    0.00877   -0.05637
 72 N    -0.00000    0.42559    0.17558
 73 N     0.00000   -0.38609   -0.17366

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.513538   25.165089    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.495247   24.747318    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:38:10  -2.58   +inf  -414.314327    3      1      
iter:   2  19:40:00  -3.22  -3.02  -414.670362    3      1      
iter:   3  19:41:49  -3.60  -2.31  -414.298392    3      1      
iter:   4  19:43:38  -4.07  -3.50  -414.300880    3      1      
iter:   5  19:45:26  -4.35  -3.83  -414.297284    3      1      
iter:   6  19:47:15  -4.30  -3.80  -414.297281    3      1      
iter:   7  19:49:03  -4.81  -3.99  -414.298457    2      1      
iter:   8  19:50:52  -5.03  -4.25  -414.298263    3      1      
iter:   9  19:52:42  -5.47  -4.34  -414.298646    2      1      
iter:  10  19:54:32  -5.67  -3.72  -414.298977    2      1      
iter:  11  19:56:21  -5.86  -4.20  -414.298103    3      1      
iter:  12  19:58:10  -6.35  -4.46  -414.298419    2      1      
iter:  13  19:59:59  -6.39  -4.52  -414.298305    2      1      
iter:  14  20:01:47  -6.64  -4.82  -414.298258    2      1      
iter:  15  20:03:36  -6.92  -4.89  -414.298308    2      1      
iter:  16  20:05:27  -7.07  -4.22  -414.298182    2      1      
iter:  17  20:07:16  -7.85  -5.12  -414.298243    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963691, -32.514975, -0.027268) |e|*Ang

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

Kinetic:        +18.385773
Potential:     -137.456790
External:        +0.000000
XC:            -304.945013
Entropy (-ST):   -1.566299
Local:          +10.500938
--------------------------
Free energy:   -415.081392
Extrapolated:  -414.298243

Fermi level: -6.55733

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62415    0.14691
  0   340     -6.61124    0.14036
  0   341     -6.61060    0.14003
  0   342     -6.58493    0.12635

  1   339     -6.53105    0.19319
  1   340     -6.48316    0.14340
  1   341     -6.45286    0.11567
  1   342     -6.44606    0.10994



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17494
  1 Pt    0.00000   -0.00280   -0.37678
  2 Pt    0.00000   -0.01908   -0.43422
  3 O    -1.68294    0.00025   -0.71856
  4 O     1.68294    0.00025   -0.71856
  5 O     0.00000   -0.01096   -1.38705
  6 O     0.00000   -0.00281    1.76695
  7 Pt   -0.00000    0.01383    0.45164
  8 Pt    0.00000   -0.04184    0.75533
  9 O    -1.58094    0.00057    0.05067
 10 O     1.58094    0.00057    0.05067
 11 O     0.00000   -0.00886   -0.56749
 12 O    -0.00000    0.00831    0.13567
 13 Pt   -0.00000    0.31291   -0.03700
 14 Pt    0.00000   -0.02024    0.00810
 15 O    -0.00074    0.01112    0.00270
 16 O     0.00074    0.01112    0.00270
 17 O    -0.00000    0.00958   -1.16827
 18 O    -0.00000    0.00075    0.02758
 19 Pt    0.00000   -0.01761    0.14813
 20 Pt    0.00000   -0.03596    0.23993
 21 O    -0.22015    0.40852    0.24099
 22 O     0.22015    0.40852    0.24099
 23 O     0.00000   -0.01416   -0.08934
 24 O     0.00000   -0.00076    1.15078
 25 Pt   -0.00000    0.01768   -0.37944
 26 Pt    0.00000   -0.00009   -0.43509
 27 O    -1.69144    0.01335   -0.71795
 28 O     1.69144    0.01335   -0.71795
 29 O    -0.00000    0.04413   -1.39050
 30 O     0.00000   -0.00441    1.83286
 31 Pt   -0.00000    0.01926    0.51176
 32 Pt    0.00000   -0.13648    0.58488
 33 O    -1.61349   -0.01905    0.06978
 34 O     1.61349   -0.01905    0.06978
 35 O     0.00000   -0.03253   -0.52663
 36 O    -0.00000    0.23132   -0.12796
 37 Pt    0.00000   -0.34451   -0.04657
 38 Pt    0.00000   -0.00329   -0.01140
 39 O     0.01051    0.01134    0.01496
 40 O    -0.01051    0.01134    0.01496
 41 O    -0.00000    0.00592   -0.00203
 42 O    -0.00000    0.03794   -0.01861
 43 Pt    0.00000   -0.01368    0.13732
 44 Pt    0.00000   -0.09550    0.04567
 45 O    -0.22785   -0.42194    0.27266
 46 O     0.22785   -0.42194    0.27266
 47 O     0.00000   -0.02523   -0.05872
 48 O    -0.00000    0.02236    1.17279
 49 Pt    0.00000   -0.02299   -0.37900
 50 Pt   -0.00000    0.02108   -0.43700
 51 O    -1.69088   -0.01393   -0.71800
 52 O     1.69088   -0.01393   -0.71800
 53 O     0.00000   -0.01033   -1.40583
 54 O     0.00000   -0.00203    1.77600
 55 Pt    0.00000   -0.01215    0.51716
 56 Pt   -0.00000    0.11946    0.65855
 57 O    -1.61415    0.01379    0.09003
 58 O     1.61415    0.01379    0.09003
 59 O     0.00000   -0.02120   -0.51778
 60 O     0.00000   -0.22159   -0.12372
 61 Pt   -0.00000    0.01095   -0.09855
 62 Pt   -0.00000    0.01684   -0.00594
 63 O    -0.01556   -0.00813    0.00229
 64 O     0.01556   -0.00813    0.00229
 65 O     0.00000    0.00063    0.00207
 66 O     0.00000   -0.01609   -0.00738
 67 Pt   -0.00000    0.00778    0.03022
 68 Pt   -0.00000    0.15302    0.02524
 69 O    -0.01004   -0.00416   -0.02649
 70 O     0.01004   -0.00416   -0.02649
 71 O    -0.00000    0.00845   -0.05747
 72 N    -0.00000    0.66814    0.30577
 73 N     0.00000   -0.58513   -0.25786

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    3.496914   25.197170    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.492825   24.748159    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:29:48  -2.59   +inf  -414.300793    3      1      
iter:   2  20:31:37  -3.30  -3.24  -414.425994    3      1      
iter:   3  20:33:26  -3.72  -2.55  -414.298386    2      1      
iter:   4  20:35:15  -4.09  -3.90  -414.300921    3      1      
iter:   5  20:37:03  -4.18  -3.69  -414.296490    3      1      
iter:   6  20:38:52  -4.39  -3.76  -414.297931    3      1      
iter:   7  20:40:40  -4.91  -4.15  -414.297917    2      1      
iter:   8  20:42:30  -5.21  -4.43  -414.298062    2      1      
iter:   9  20:44:21  -5.67  -4.59  -414.298139    2      1      
iter:  10  20:46:11  -6.17  -4.49  -414.298009    2      1      
iter:  11  20:48:01  -6.31  -4.18  -414.298184    2      1      
iter:  12  20:49:50  -6.63  -4.37  -414.298227    2      1      
iter:  13  20:51:39  -6.63  -4.78  -414.297891    2      1      
iter:  14  20:53:28  -7.20  -4.83  -414.298046    2      1      
iter:  15  20:55:17  -7.75  -5.28  -414.298036    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963691, -32.516978, -0.026807) |e|*Ang

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

Kinetic:        +18.509304
Potential:     -137.560620
External:        +0.000000
XC:            -304.967559
Entropy (-ST):   -1.566334
Local:          +10.504006
--------------------------
Free energy:   -415.081203
Extrapolated:  -414.298036

Fermi level: -6.55707

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62402    0.14697
  0   340     -6.61092    0.14033
  0   341     -6.61026    0.13999
  0   342     -6.58472    0.12637

  1   339     -6.53080    0.19320
  1   340     -6.48285    0.14334
  1   341     -6.45262    0.11568
  1   342     -6.44580    0.10994



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17473
  1 Pt    0.00000   -0.00279   -0.37693
  2 Pt    0.00000   -0.01909   -0.43446
  3 O    -1.68318    0.00026   -0.71856
  4 O     1.68318    0.00026   -0.71856
  5 O     0.00000   -0.01098   -1.38711
  6 O     0.00000   -0.00284    1.76624
  7 Pt   -0.00000    0.01384    0.45157
  8 Pt    0.00000   -0.04187    0.75552
  9 O    -1.58087    0.00058    0.05143
 10 O     1.58087    0.00058    0.05143
 11 O     0.00000   -0.00887   -0.56765
 12 O    -0.00000    0.00835    0.13591
 13 Pt   -0.00000    0.31241   -0.03687
 14 Pt    0.00000   -0.02015    0.00817
 15 O    -0.00043    0.01112    0.00348
 16 O     0.00043    0.01112    0.00348
 17 O    -0.00000    0.00940   -1.16848
 18 O    -0.00000    0.00089    0.02822
 19 Pt    0.00000   -0.01756    0.14733
 20 Pt    0.00000   -0.03529    0.23829
 21 O    -0.21986    0.40806    0.24143
 22 O     0.21986    0.40806    0.24143
 23 O     0.00000   -0.01463   -0.08979
 24 O     0.00000   -0.00076    1.15058
 25 Pt   -0.00000    0.01768   -0.37960
 26 Pt    0.00000   -0.00009   -0.43530
 27 O    -1.69167    0.01335   -0.71795
 28 O     1.69167    0.01335   -0.71795
 29 O    -0.00000    0.04414   -1.39055
 30 O     0.00000   -0.00438    1.83224
 31 Pt   -0.00000    0.01926    0.51176
 32 Pt    0.00000   -0.13650    0.58502
 33 O    -1.61342   -0.01905    0.07058
 34 O     1.61342   -0.01905    0.07058
 35 O     0.00000   -0.03252   -0.52666
 36 O    -0.00000    0.23120   -0.12765
 37 Pt    0.00000   -0.34399   -0.04647
 38 Pt    0.00000   -0.00334   -0.01140
 39 O     0.01077    0.01136    0.01581
 40 O    -0.01077    0.01136    0.01581
 41 O    -0.00000    0.00613   -0.00367
 42 O    -0.00000    0.03768   -0.01812
 43 Pt    0.00000   -0.01395    0.13603
 44 Pt    0.00000   -0.09628    0.04449
 45 O    -0.22750   -0.42155    0.27227
 46 O     0.22750   -0.42155    0.27227
 47 O     0.00000   -0.02504   -0.05879
 48 O    -0.00000    0.02235    1.17258
 49 Pt    0.00000   -0.02300   -0.37915
 50 Pt   -0.00000    0.02109   -0.43724
 51 O    -1.69111   -0.01393   -0.71799
 52 O     1.69111   -0.01393   -0.71799
 53 O     0.00000   -0.01033   -1.40584
 54 O     0.00000   -0.00203    1.77527
 55 Pt    0.00000   -0.01216    0.51712
 56 Pt   -0.00000    0.11951    0.65862
 57 O    -1.61407    0.01377    0.09081
 58 O     1.61407    0.01377    0.09081
 59 O     0.00000   -0.02120   -0.51797
 60 O     0.00000   -0.22150   -0.12336
 61 Pt   -0.00000    0.01092   -0.09818
 62 Pt   -0.00000    0.01680   -0.00586
 63 O    -0.01524   -0.00816    0.00309
 64 O     0.01524   -0.00816    0.00309
 65 O     0.00000    0.00053    0.00083
 66 O     0.00000   -0.01596   -0.00674
 67 Pt   -0.00000    0.00802    0.02928
 68 Pt   -0.00000    0.15335    0.02453
 69 O    -0.00978   -0.00404   -0.02616
 70 O     0.00978   -0.00404   -0.02616
 71 O    -0.00000    0.00868   -0.05734
 72 N    -0.00000    0.63610    0.31595
 73 N     0.00000   -0.70475   -0.31340

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    3.479593   25.228494    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.490161   24.747708    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:16:27  -2.60   +inf  -414.298472    3      1      
iter:   2  21:18:17  -3.35  -3.57  -414.321614    2      1      
iter:   3  21:20:06  -3.80  -2.93  -414.300092    2      1      
iter:   4  21:21:55  -4.02  -3.87  -414.299075    3      1      
iter:   5  21:23:43  -4.16  -3.91  -414.301037    2      1      
iter:   6  21:25:31  -4.55  -3.87  -414.299059    3      1      
iter:   7  21:27:20  -5.00  -4.28  -414.299568    2      1      
iter:   8  21:29:10  -5.29  -4.31  -414.299251    2      1      
iter:   9  21:31:01  -5.77  -4.39  -414.299385    2      1      
iter:  10  21:32:50  -6.03  -4.44  -414.299215    2      1      
iter:  11  21:34:40  -6.50  -4.62  -414.299049    2      1      
iter:  12  21:36:29  -6.64  -4.56  -414.299848    3      1      
iter:  13  21:38:17  -6.60  -4.36  -414.299306    2      1      
iter:  14  21:40:06  -7.02  -5.12  -414.299333    2      1      
iter:  15  21:41:55  -7.32  -5.09  -414.299288    2      1      
iter:  16  21:43:44  -7.90  -4.90  -414.299316    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963665, -32.518908, -0.026722) |e|*Ang

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

Kinetic:        +18.514863
Potential:     -137.572313
External:        +0.000000
XC:            -304.963168
Entropy (-ST):   -1.566268
Local:          +10.504435
--------------------------
Free energy:   -415.082450
Extrapolated:  -414.299316

Fermi level: -6.55695

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62396    0.14700
  0   340     -6.61081    0.14033
  0   341     -6.61014    0.13998
  0   342     -6.58461    0.12638

  1   339     -6.53066    0.19318
  1   340     -6.48272    0.14334
  1   341     -6.45249    0.11567
  1   342     -6.44568    0.10994



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17522
  1 Pt    0.00000   -0.00277   -0.37648
  2 Pt    0.00000   -0.01903   -0.43367
  3 O    -1.68336    0.00027   -0.71825
  4 O     1.68336    0.00027   -0.71825
  5 O     0.00000   -0.01095   -1.38694
  6 O     0.00000   -0.00280    1.76580
  7 Pt   -0.00000    0.01380    0.45120
  8 Pt    0.00000   -0.04191    0.75524
  9 O    -1.58090    0.00056    0.05103
 10 O     1.58090    0.00056    0.05103
 11 O     0.00000   -0.00889   -0.56774
 12 O    -0.00000    0.00822    0.13577
 13 Pt   -0.00000    0.31201   -0.03695
 14 Pt    0.00000   -0.02030    0.00826
 15 O    -0.00036    0.01107    0.00329
 16 O     0.00036    0.01107    0.00329
 17 O    -0.00000    0.00909   -1.16698
 18 O    -0.00000    0.00077    0.02818
 19 Pt    0.00000   -0.01731    0.14541
 20 Pt    0.00000   -0.03405    0.23771
 21 O    -0.21994    0.40805    0.24024
 22 O     0.21994    0.40805    0.24024
 23 O     0.00000   -0.01445   -0.09076
 24 O     0.00000   -0.00076    1.15107
 25 Pt   -0.00000    0.01768   -0.37913
 26 Pt    0.00000   -0.00011   -0.43452
 27 O    -1.69188    0.01337   -0.71764
 28 O     1.69188    0.01337   -0.71764
 29 O    -0.00000    0.04415   -1.39037
 30 O     0.00000   -0.00442    1.83164
 31 Pt   -0.00000    0.01924    0.51122
 32 Pt    0.00000   -0.13654    0.58466
 33 O    -1.61343   -0.01907    0.07013
 34 O     1.61343   -0.01907    0.07013
 35 O     0.00000   -0.03252   -0.52679
 36 O    -0.00000    0.23111   -0.12777
 37 Pt    0.00000   -0.34356   -0.04658
 38 Pt    0.00000   -0.00324   -0.01124
 39 O     0.01093    0.01135    0.01558
 40 O    -0.01093    0.01135    0.01558
 41 O    -0.00000    0.00629   -0.00417
 42 O    -0.00000    0.03766   -0.01793
 43 Pt    0.00000   -0.01402    0.13510
 44 Pt    0.00000   -0.09723    0.04424
 45 O    -0.22761   -0.42137    0.27174
 46 O     0.22761   -0.42137    0.27174
 47 O     0.00000   -0.02503   -0.05923
 48 O    -0.00000    0.02234    1.17306
 49 Pt    0.00000   -0.02302   -0.37870
 50 Pt   -0.00000    0.02106   -0.43643
 51 O    -1.69131   -0.01396   -0.71769
 52 O     1.69131   -0.01396   -0.71769
 53 O     0.00000   -0.01036   -1.40567
 54 O     0.00000   -0.00203    1.77498
 55 Pt    0.00000   -0.01211    0.51667
 56 Pt   -0.00000    0.11959    0.65833
 57 O    -1.61408    0.01381    0.09039
 58 O     1.61408    0.01381    0.09039
 59 O     0.00000   -0.02118   -0.51797
 60 O     0.00000   -0.22125   -0.12338
 61 Pt   -0.00000    0.01088   -0.09819
 62 Pt   -0.00000    0.01686   -0.00584
 63 O    -0.01519   -0.00808    0.00288
 64 O     0.01519   -0.00808    0.00288
 65 O     0.00000    0.00059    0.00019
 66 O     0.00000   -0.01583   -0.00686
 67 Pt   -0.00000    0.00782    0.02768
 68 Pt   -0.00000    0.15348    0.02239
 69 O    -0.00976   -0.00417   -0.02704
 70 O     0.00976   -0.00417   -0.02704
 71 O    -0.00000    0.00844   -0.05798
 72 N    -0.00000    0.60666    0.34797
 73 N     0.00000   -0.69102   -0.32251

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    3.462763   25.259924    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.487544   24.746999    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:58:20  -2.60   +inf  -414.301674    3      1      
iter:   2  22:00:11  -3.29  -3.17  -414.471596    3      1      
iter:   3  22:02:01  -3.71  -2.50  -414.308191    3      1      
iter:   4  22:03:50  -4.11  -3.42  -414.302290    3      1      
iter:   5  22:05:38  -4.30  -3.78  -414.301449    3      1      
iter:   6  22:07:27  -4.35  -4.10  -414.302289    3      1      
iter:   7  22:09:15  -4.64  -3.77  -414.301284    2      1      
iter:   8  22:11:04  -5.08  -4.29  -414.301535    2      1      
iter:   9  22:12:54  -5.51  -4.40  -414.301105    2      1      
iter:  10  22:14:44  -5.96  -4.37  -414.302056    3      1      
iter:  11  22:16:35  -6.23  -4.17  -414.301355    2      1      
iter:  12  22:18:25  -6.65  -4.55  -414.301324    2      1      
iter:  13  22:20:14  -6.77  -4.44  -414.301568    2      1      
iter:  14  22:22:02  -6.85  -4.56  -414.301539    2      1      
iter:  15  22:23:52  -7.10  -4.74  -414.301549    2      1      
iter:  16  22:25:40  -7.52  -4.84  -414.301389    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963637, -32.521102, -0.026250) |e|*Ang

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

Kinetic:        +18.237890
Potential:     -137.357383
External:        +0.000000
XC:            -304.903146
Entropy (-ST):   -1.566467
Local:          +10.504483
--------------------------
Free energy:   -415.084623
Extrapolated:  -414.301389

Fermi level: -6.55594

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62286    0.14696
  0   340     -6.60993    0.14040
  0   341     -6.60930    0.14007
  0   342     -6.58362    0.12639

  1   339     -6.52991    0.19346
  1   340     -6.48178    0.14340
  1   341     -6.45152    0.11570
  1   342     -6.44472    0.10998



Forces in eV/Ang:
  0 O     0.00000   -0.01773    1.17543
  1 Pt    0.00000   -0.00280   -0.37515
  2 Pt    0.00000   -0.01913   -0.43229
  3 O    -1.68194    0.00024   -0.71814
  4 O     1.68194    0.00024   -0.71814
  5 O     0.00000   -0.01092   -1.38733
  6 O     0.00000   -0.00274    1.77075
  7 Pt   -0.00000    0.01384    0.45275
  8 Pt    0.00000   -0.04182    0.75648
  9 O    -1.58104    0.00058    0.05110
 10 O     1.58104    0.00058    0.05110
 11 O     0.00000   -0.00883   -0.56792
 12 O    -0.00000    0.00826    0.13581
 13 Pt   -0.00000    0.31164   -0.03646
 14 Pt    0.00000   -0.02025    0.00834
 15 O    -0.00078    0.01115    0.00340
 16 O     0.00078    0.01115    0.00340
 17 O    -0.00000    0.00895   -1.16428
 18 O    -0.00000    0.00084    0.02809
 19 Pt    0.00000   -0.01721    0.14290
 20 Pt    0.00000   -0.03294    0.23519
 21 O    -0.22017    0.40799    0.23905
 22 O     0.22017    0.40799    0.23905
 23 O     0.00000   -0.01477   -0.09206
 24 O     0.00000   -0.00073    1.15126
 25 Pt   -0.00000    0.01766   -0.37775
 26 Pt    0.00000   -0.00007   -0.43311
 27 O    -1.69042    0.01334   -0.71753
 28 O     1.69042    0.01334   -0.71753
 29 O    -0.00000    0.04414   -1.39071
 30 O     0.00000   -0.00444    1.83677
 31 Pt   -0.00000    0.01925    0.51285
 32 Pt    0.00000   -0.13664    0.58586
 33 O    -1.61362   -0.01904    0.07026
 34 O     1.61362   -0.01904    0.07026
 35 O     0.00000   -0.03256   -0.52693
 36 O    -0.00000    0.23081   -0.12754
 37 Pt    0.00000   -0.34304   -0.04610
 38 Pt    0.00000   -0.00328   -0.01115
 39 O     0.01051    0.01134    0.01578
 40 O    -0.01051    0.01134    0.01578
 41 O    -0.00000    0.00647   -0.00340
 42 O    -0.00000    0.03758   -0.01802
 43 Pt    0.00000   -0.01419    0.13266
 44 Pt    0.00000   -0.09811    0.04209
 45 O    -0.22777   -0.42137    0.27033
 46 O     0.22777   -0.42137    0.27033
 47 O     0.00000   -0.02466   -0.06015
 48 O    -0.00000    0.02238    1.17327
 49 Pt    0.00000   -0.02297   -0.37735
 50 Pt   -0.00000    0.02111   -0.43510
 51 O    -1.68987   -0.01390   -0.71759
 52 O     1.68987   -0.01390   -0.71759
 53 O     0.00000   -0.01038   -1.40606
 54 O     0.00000   -0.00206    1.77974
 55 Pt    0.00000   -0.01215    0.51826
 56 Pt   -0.00000    0.11959    0.65949
 57 O    -1.61424    0.01376    0.09050
 58 O     1.61424    0.01376    0.09050
 59 O     0.00000   -0.02121   -0.51814
 60 O     0.00000   -0.22097   -0.12323
 61 Pt   -0.00000    0.01071   -0.09765
 62 Pt   -0.00000    0.01685   -0.00572
 63 O    -0.01559   -0.00817    0.00301
 64 O     0.01559   -0.00817    0.00301
 65 O     0.00000    0.00052    0.00104
 66 O     0.00000   -0.01584   -0.00696
 67 Pt   -0.00000    0.00790    0.02520
 68 Pt   -0.00000    0.15360    0.01948
 69 O    -0.00988   -0.00404   -0.02804
 70 O     0.00988   -0.00404   -0.02804
 71 O    -0.00000    0.00836   -0.05886
 72 N    -0.00000    0.38740    0.23473
 73 N     0.00000   -0.45092   -0.22779

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    3.445787   25.290898    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.484969   24.746276    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:45:06  -2.62   +inf  -414.375175    3      1      
iter:   2  22:46:58  -2.87  -2.65  -416.513610    3      1      
iter:   3  22:48:48  -3.25  -1.95  -414.319617    3      1      
iter:   4  22:50:38  -3.77  -3.02  -414.307933    3      1      
iter:   5  22:52:26  -4.22  -3.65  -414.304030    3      1      
iter:   6  22:54:15  -4.36  -3.71  -414.303353    3      1      
iter:   7  22:56:03  -4.53  -3.77  -414.303020    2      1      
iter:   8  22:57:52  -4.76  -3.77  -414.303769    2      1      
iter:   9  22:59:41  -5.24  -3.88  -414.303328    2      1      
iter:  10  23:01:32  -5.56  -4.21  -414.303118    2      1      
iter:  11  23:03:23  -5.96  -4.23  -414.303193    2      1      
iter:  12  23:05:14  -6.23  -4.52  -414.303546    2      1      
iter:  13  23:07:05  -6.63  -4.50  -414.303088    2      1      
iter:  14  23:08:56  -7.07  -4.67  -414.303319    2      1      
iter:  15  23:10:47  -7.10  -4.70  -414.303159    2      1      
iter:  16  23:12:30  -7.56  -4.48  -414.303165    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963686, -32.523140, -0.025972) |e|*Ang

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

Kinetic:        +17.808985
Potential:     -137.015930
External:        +0.000000
XC:            -304.817949
Entropy (-ST):   -1.566314
Local:          +10.504885
--------------------------
Free energy:   -415.086322
Extrapolated:  -414.303165

Fermi level: -6.55624

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62332    0.14704
  0   340     -6.61013    0.14034
  0   341     -6.60946    0.14000
  0   342     -6.58395    0.12641

  1   339     -6.53001    0.19324
  1   340     -6.48200    0.14332
  1   341     -6.45179    0.11568
  1   342     -6.44500    0.10997



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17544
  1 Pt    0.00000   -0.00277   -0.37589
  2 Pt    0.00000   -0.01909   -0.43269
  3 O    -1.68318    0.00026   -0.71804
  4 O     1.68318    0.00026   -0.71804
  5 O     0.00000   -0.01096   -1.38719
  6 O     0.00000   -0.00285    1.76750
  7 Pt   -0.00000    0.01383    0.45175
  8 Pt    0.00000   -0.04191    0.75546
  9 O    -1.58078    0.00058    0.05150
 10 O     1.58078    0.00058    0.05150
 11 O     0.00000   -0.00885   -0.56783
 12 O    -0.00000    0.00824    0.13532
 13 Pt   -0.00000    0.31120   -0.03658
 14 Pt    0.00000   -0.02009    0.00801
 15 O    -0.00060    0.01108    0.00371
 16 O     0.00060    0.01108    0.00371
 17 O    -0.00000    0.00868   -1.16397
 18 O    -0.00000    0.00111    0.02788
 19 Pt    0.00000   -0.01724    0.14234
 20 Pt    0.00000   -0.03118    0.23484
 21 O    -0.22032    0.40746    0.23840
 22 O     0.22032    0.40746    0.23840
 23 O     0.00000   -0.01509   -0.09176
 24 O     0.00000   -0.00075    1.15128
 25 Pt   -0.00000    0.01767   -0.37856
 26 Pt    0.00000   -0.00009   -0.43352
 27 O    -1.69168    0.01335   -0.71744
 28 O     1.69168    0.01335   -0.71744
 29 O    -0.00000    0.04418   -1.39063
 30 O     0.00000   -0.00440    1.83348
 31 Pt   -0.00000    0.01927    0.51189
 32 Pt    0.00000   -0.13662    0.58481
 33 O    -1.61333   -0.01904    0.07066
 34 O     1.61333   -0.01904    0.07066
 35 O     0.00000   -0.03254   -0.52682
 36 O    -0.00000    0.23091   -0.12805
 37 Pt    0.00000   -0.34262   -0.04615
 38 Pt    0.00000   -0.00337   -0.01152
 39 O     0.01059    0.01139    0.01614
 40 O    -0.01059    0.01139    0.01614
 41 O    -0.00000    0.00667   -0.00466
 42 O    -0.00000    0.03722   -0.01826
 43 Pt    0.00000   -0.01437    0.13282
 44 Pt    0.00000   -0.09970    0.04309
 45 O    -0.22766   -0.42095    0.26875
 46 O     0.22766   -0.42095    0.26875
 47 O     0.00000   -0.02454   -0.05924
 48 O    -0.00000    0.02236    1.17330
 49 Pt    0.00000   -0.02301   -0.37812
 50 Pt   -0.00000    0.02109   -0.43545
 51 O    -1.69111   -0.01393   -0.71748
 52 O     1.69111   -0.01393   -0.71748
 53 O     0.00000   -0.01039   -1.40587
 54 O     0.00000   -0.00200    1.77658
 55 Pt    0.00000   -0.01216    0.51728
 56 Pt   -0.00000    0.11967    0.65837
 57 O    -1.61396    0.01377    0.09089
 58 O     1.61396    0.01377    0.09089
 59 O     0.00000   -0.02120   -0.51811
 60 O     0.00000   -0.22102   -0.12365
 61 Pt   -0.00000    0.01075   -0.09766
 62 Pt   -0.00000    0.01677   -0.00602
 63 O    -0.01547   -0.00815    0.00328
 64 O     0.01547   -0.00815    0.00328
 65 O     0.00000    0.00046   -0.00029
 66 O     0.00000   -0.01579   -0.00712
 67 Pt   -0.00000    0.00812    0.02485
 68 Pt   -0.00000    0.15370    0.01802
 69 O    -0.00999   -0.00380   -0.02862
 70 O     0.00999   -0.00380   -0.02862
 71 O    -0.00000    0.00849   -0.05852
 72 N    -0.00000    0.04371   -0.01933
 73 N     0.00000   -0.07822   -0.08609

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    3.428599   25.319944    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.482448   24.745118    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:29:31  -2.67   +inf  -414.310244    3      1      
iter:   2  23:31:22  -3.27  -3.03  -414.670888    3      1      
iter:   3  23:33:13  -3.63  -2.33  -414.311164    3      1      
iter:   4  23:35:03  -4.10  -3.43  -414.305026    3      1      
iter:   5  23:36:53  -4.37  -3.75  -414.304182    3      1      
iter:   6  23:38:49  -4.44  -3.94  -414.304867    3      1      
iter:   7  23:40:41  -4.50  -3.67  -414.303344    3      1      
iter:   8  23:42:31  -4.91  -4.12  -414.303712    2      1      
iter:   9  23:44:21  -5.40  -4.28  -414.303239    2      1      
iter:  10  23:46:11  -5.91  -4.24  -414.304461    3      1      
iter:  11  23:48:02  -6.10  -4.02  -414.303732    3      1      
iter:  12  23:49:53  -6.37  -4.29  -414.303578    2      1      
iter:  13  23:51:44  -6.60  -4.51  -414.303867    2      1      
iter:  14  23:53:34  -6.67  -4.40  -414.303885    2      1      
iter:  15  23:55:23  -6.88  -4.47  -414.303832    2      1      
iter:  16  23:57:11  -6.97  -4.75  -414.303599    2      1      
iter:  17  23:58:55  -7.57  -4.93  -414.303714    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963639, -32.524905, -0.025498) |e|*Ang

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

Kinetic:        +17.391241
Potential:     -136.685411
External:        +0.000000
XC:            -304.731564
Entropy (-ST):   -1.566202
Local:          +10.505121
--------------------------
Free energy:   -415.086815
Extrapolated:  -414.303714

Fermi level: -6.55610

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62332    0.14711
  0   340     -6.60990    0.14030
  0   341     -6.60921    0.13994
  0   342     -6.58384    0.12642

  1   339     -6.52976    0.19313
  1   340     -6.48181    0.14328
  1   341     -6.45162    0.11566
  1   342     -6.44485    0.10996



Forces in eV/Ang:
  0 O     0.00000   -0.01771    1.17569
  1 Pt    0.00000   -0.00277   -0.37628
  2 Pt    0.00000   -0.01909   -0.43340
  3 O    -1.68398    0.00025   -0.71814
  4 O     1.68398    0.00025   -0.71814
  5 O     0.00000   -0.01094   -1.38711
  6 O     0.00000   -0.00282    1.76385
  7 Pt   -0.00000    0.01385    0.45047
  8 Pt    0.00000   -0.04190    0.75475
  9 O    -1.58093    0.00058    0.05075
 10 O     1.58093    0.00058    0.05075
 11 O     0.00000   -0.00883   -0.56783
 12 O    -0.00000    0.00826    0.13563
 13 Pt   -0.00000    0.31089   -0.03704
 14 Pt    0.00000   -0.02011    0.00802
 15 O    -0.00028    0.01109    0.00363
 16 O     0.00028    0.01109    0.00363
 17 O    -0.00000    0.00843   -1.16400
 18 O    -0.00000    0.00101    0.02861
 19 Pt    0.00000   -0.01701    0.14225
 20 Pt    0.00000   -0.03029    0.23472
 21 O    -0.22000    0.40739    0.23878
 22 O     0.22000    0.40739    0.23878
 23 O     0.00000   -0.01521   -0.09193
 24 O     0.00000   -0.00074    1.15154
 25 Pt   -0.00000    0.01766   -0.37893
 26 Pt    0.00000   -0.00009   -0.43422
 27 O    -1.69247    0.01335   -0.71753
 28 O     1.69247    0.01335   -0.71753
 29 O    -0.00000    0.04419   -1.39054
 30 O     0.00000   -0.00441    1.82979
 31 Pt   -0.00000    0.01925    0.51063
 32 Pt    0.00000   -0.13666    0.58404
 33 O    -1.61348   -0.01904    0.06991
 34 O     1.61348   -0.01904    0.06991
 35 O     0.00000   -0.03256   -0.52682
 36 O    -0.00000    0.23079   -0.12776
 37 Pt    0.00000   -0.34231   -0.04673
 38 Pt    0.00000   -0.00334   -0.01143
 39 O     0.01093    0.01140    0.01597
 40 O    -0.01093    0.01140    0.01597
 41 O    -0.00000    0.00677   -0.00646
 42 O    -0.00000    0.03730   -0.01749
 43 Pt    0.00000   -0.01446    0.13276
 44 Pt    0.00000   -0.10033    0.04308
 45 O    -0.22745   -0.42083    0.26903
 46 O     0.22745   -0.42083    0.26903
 47 O     0.00000   -0.02436   -0.05927
 48 O    -0.00000    0.02236    1.17355
 49 Pt    0.00000   -0.02300   -0.37849
 50 Pt   -0.00000    0.02109   -0.43616
 51 O    -1.69191   -0.01392   -0.71758
 52 O     1.69191   -0.01392   -0.71758
 53 O     0.00000   -0.01040   -1.40579
 54 O     0.00000   -0.00202    1.77289
 55 Pt    0.00000   -0.01217    0.51600
 56 Pt   -0.00000    0.11970    0.65757
 57 O    -1.61411    0.01377    0.09015
 58 O     1.61411    0.01377    0.09015
 59 O     0.00000   -0.02120   -0.51813
 60 O     0.00000   -0.22092   -0.12333
 61 Pt   -0.00000    0.01073   -0.09806
 62 Pt   -0.00000    0.01677   -0.00589
 63 O    -0.01517   -0.00817    0.00320
 64 O     0.01517   -0.00817    0.00320
 65 O     0.00000    0.00052   -0.00185
 66 O     0.00000   -0.01577   -0.00643
 67 Pt   -0.00000    0.00798    0.02466
 68 Pt   -0.00000    0.15376    0.01863
 69 O    -0.00959   -0.00383   -0.02831
 70 O     0.00959   -0.00383   -0.02831
 71 O    -0.00000    0.00839   -0.05827
 72 N     0.00000   -0.23394   -0.12962
 73 N    -0.00000    0.22757    0.12847

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             O   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    3.411998   25.346135    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.481071   24.746529    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:14:03  -2.76   +inf  -414.310498    3      1      
iter:   2  00:15:54  -3.39  -3.11  -414.555420    3      1      
iter:   3  00:17:46  -3.74  -2.39  -414.306305    2      1      
iter:   4  00:19:36  -4.20  -3.77  -414.303127    3      1      
iter:   5  00:21:25  -4.46  -3.84  -414.303803    2      1      
iter:   6  00:23:14  -4.40  -4.01  -414.302939    3      1      
iter:   7  00:25:02  -4.79  -4.17  -414.303481    2      1      
iter:   8  00:26:50  -5.22  -4.42  -414.303463    2      1      
iter:   9  00:28:39  -5.63  -4.23  -414.303275    2      1      
iter:  10  00:30:29  -6.06  -4.21  -414.304146    3      1      
iter:  11  00:32:19  -6.33  -4.29  -414.303391    2      1      
iter:  12  00:34:09  -6.88  -4.66  -414.303479    2      1      
iter:  13  00:35:59  -6.77  -4.88  -414.303510    2      1      
