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

User:   hao@node063.cluster
Date:   Wed Jan 19 04:12:49 2022
Arch:   x86_64
Pid:    32425
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: 126.03 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              
        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    3.565715   23.925463    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.471775   23.722783    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:15:36  +0.87   +inf  -535.838834    4      1      
iter:   2  04:17:34  -0.13  -1.04  -494.111376    36     1      
iter:   3  04:19:33  +0.13  -1.11  -641.178787    4      1      
iter:   4  04:21:31  -0.26  -0.99  -421.894559    36     1      
iter:   5  04:23:29  -0.62  -1.43  -423.369702    33     1      
iter:   6  04:25:29  -1.54  -1.42  -421.065406    4      1      
iter:   7  04:27:27  -1.91  -1.45  -418.467073    3      1      
iter:   8  04:29:27  -1.87  -1.49  -417.692550    3      1      
iter:   9  04:31:25  -1.61  -1.53  -431.811078    33     1      
iter:  10  04:33:25  -1.56  -1.46  -419.447456    4      1      
iter:  11  04:35:24  -1.59  -1.57  -417.269878    4      1      
iter:  12  04:37:24  -2.13  -1.75  -416.381157    4      1      
iter:  13  04:39:24  -2.19  -1.79  -415.075161    4      1      
iter:  14  04:41:23  -2.37  -1.95  -415.810102    3      1      
iter:  15  04:43:22  -2.45  -1.82  -414.437286    3      1      
iter:  16  04:45:23  -2.57  -1.93  -414.273126    3      1      
iter:  17  04:47:23  -2.76  -1.98  -414.312198    3      1      
iter:  18  04:49:21  -2.46  -2.13  -414.116533    3      1      
iter:  19  04:51:19  -2.81  -2.43  -414.048606    4      1      
iter:  20  04:53:17  -3.32  -2.67  -414.041366    3      1      
iter:  21  04:55:18  -3.45  -2.64  -414.042808    3      1      
iter:  22  04:57:16  -3.43  -2.67  -414.090211    3      1      
iter:  23  04:59:15  -3.74  -2.62  -414.035489    3      1      
iter:  24  05:01:15  -4.11  -2.78  -414.029029    3      1      
iter:  25  05:03:14  -4.02  -2.86  -414.033158    3      1      
iter:  26  05:05:13  -4.00  -2.96  -414.026308    3      1      
iter:  27  05:07:12  -4.08  -3.02  -414.029932    3      1      
iter:  28  05:09:11  -4.37  -3.08  -414.025370    2      1      
iter:  29  05:11:09  -4.46  -3.24  -414.025366    3      1      
iter:  30  05:13:08  -4.94  -3.37  -414.024760    2      1      
iter:  31  05:15:09  -5.03  -3.39  -414.024999    3      1      
iter:  32  05:17:09  -5.45  -3.46  -414.026210    2      1      
iter:  33  05:19:08  -5.25  -3.44  -414.024745    3      1      
iter:  34  05:21:06  -5.34  -3.68  -414.025672    2      1      
iter:  35  05:23:07  -5.74  -3.77  -414.024528    2      1      
iter:  36  05:25:06  -5.95  -3.72  -414.024559    2      1      
iter:  37  05:27:03  -6.17  -3.88  -414.024693    2      1      
iter:  38  05:29:00  -6.16  -3.99  -414.024744    2      1      
iter:  39  05:30:57  -6.42  -4.03  -414.025074    2      1      
iter:  40  05:33:00  -6.99  -4.18  -414.024824    2      1      
iter:  41  05:35:01  -7.23  -4.24  -414.024967    2      1      
iter:  42  05:37:04  -6.88  -4.25  -414.024872    2      1      
iter:  43  05:39:06  -6.93  -4.22  -414.024881    2      1      
iter:  44  05:41:06  -7.07  -4.39  -414.024955    2      1      
iter:  45  05:43:01  -7.31  -4.65  -414.024951    2      1      
iter:  46  05:44:56  -7.96  -5.03  -414.024999    2      1      

Converged after 46 iterations.

Dipole moment: (-55.962312, -32.555490, 0.050778) |e|*Ang

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

Kinetic:        +17.991913
Potential:     -136.450322
External:        +0.000000
XC:            -305.280649
Entropy (-ST):   -1.564623
Local:          +10.496370
--------------------------
Free energy:   -414.807310
Extrapolated:  -414.024999

Fermi level: -6.49162

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56499    0.15014
  0   340     -6.54636    0.14079
  0   341     -6.54504    0.14010
  0   342     -6.51442    0.12373

  1   339     -6.46694    0.19494
  1   340     -6.41823    0.14415
  1   341     -6.38584    0.11455
  1   342     -6.36992    0.10154



Forces in eV/Ang:
  0 O     0.00000   -0.01706    1.17315
  1 Pt    0.00000   -0.00217   -0.37314
  2 Pt    0.00000   -0.01897   -0.43332
  3 O    -1.68220    0.00025   -0.71892
  4 O     1.68220    0.00025   -0.71892
  5 O     0.00000   -0.01251   -1.38554
  6 O     0.00000   -0.00250    1.77020
  7 Pt   -0.00000    0.01379    0.45186
  8 Pt    0.00000   -0.03776    0.75055
  9 O    -1.58063    0.00050    0.05210
 10 O     1.58063    0.00050    0.05210
 11 O     0.00000   -0.00902   -0.56494
 12 O    -0.00000    0.01077    0.14092
 13 Pt   -0.00000    0.26523   -0.03734
 14 Pt    0.00000   -0.01888    0.00946
 15 O    -0.00147    0.00937    0.00369
 16 O     0.00147    0.00937    0.00369
 17 O    -0.00000    0.00368   -0.98796
 18 O    -0.00000    0.00423    0.02401
 19 Pt    0.00000   -0.02333    0.12043
 20 Pt   -0.00000    0.00159    0.17657
 21 O    -0.20446    0.36534    0.21396
 22 O     0.20446    0.36534    0.21396
 23 O     0.00000   -0.01723   -0.08577
 24 O     0.00000   -0.00125    1.14919
 25 Pt   -0.00000    0.01612   -0.37684
 26 Pt    0.00000   -0.00023   -0.43375
 27 O    -1.69090    0.01341   -0.71807
 28 O     1.69090    0.01341   -0.71807
 29 O    -0.00000    0.04761   -1.38511
 30 O     0.00000   -0.00476    1.83564
 31 Pt   -0.00000    0.01916    0.51090
 32 Pt    0.00000   -0.14683    0.56996
 33 O    -1.61451   -0.01899    0.07093
 34 O     1.61451   -0.01899    0.07093
 35 O     0.00000   -0.03230   -0.52390
 36 O    -0.00000    0.20649   -0.10418
 37 Pt    0.00000   -0.30266   -0.03675
 38 Pt    0.00000   -0.00503   -0.00919
 39 O     0.00872    0.01162    0.01532
 40 O    -0.00872    0.01162    0.01532
 41 O     0.00000   -0.00606    0.02349
 42 O    -0.00000    0.02842   -0.01696
 43 Pt    0.00000   -0.00903    0.02592
 44 Pt    0.00000   -0.09423    0.00624
 45 O    -0.11005   -0.35075   -0.01060
 46 O     0.11005   -0.35075   -0.01060
 47 O     0.00000   -0.02110   -0.05520
 48 O    -0.00000    0.02217    1.17115
 49 Pt    0.00000   -0.02209   -0.37534
 50 Pt   -0.00000    0.02112   -0.43430
 51 O    -1.69002   -0.01397   -0.71850
 52 O     1.69002   -0.01397   -0.71850
 53 O     0.00000   -0.01212   -1.40398
 54 O     0.00000   -0.00198    1.77732
 55 Pt    0.00000   -0.01211    0.51716
 56 Pt   -0.00000    0.12557    0.64784
 57 O    -1.61362    0.01384    0.09259
 58 O     1.61362    0.01384    0.09259
 59 O     0.00000   -0.02121   -0.51563
 60 O     0.00000   -0.19928   -0.10745
 61 Pt   -0.00000    0.01702   -0.08738
 62 Pt   -0.00000    0.01734   -0.00649
 63 O    -0.01510   -0.00686    0.00312
 64 O     0.01510   -0.00686    0.00312
 65 O     0.00000    0.00007    0.00535
 66 O     0.00000   -0.01147   -0.00290
 67 Pt   -0.00000    0.00768    0.02339
 68 Pt   -0.00000    0.14894    0.01960
 69 O    -0.00614    0.00777   -0.03611
 70 O     0.00614    0.00777   -0.03611
 71 O    -0.00000    0.00773   -0.04947
 72 N     0.00000   -0.87437    0.23676
 73 N    -0.00000    0.76620    0.37944

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.561336   23.925761    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.474564   23.724277    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:49:31  -3.71   +inf  -414.114684    4      1      
iter:   2  05:51:31  -3.17  -2.72  -415.502179    4      1      
iter:   3  05:53:34  -3.43  -2.03  -414.051437    3      1      
iter:   4  05:55:37  -4.03  -2.89  -414.037343    3      1      
iter:   5  05:57:38  -4.91  -3.42  -414.032064    3      1      
iter:   6  05:59:40  -4.87  -3.54  -414.028569    3      1      
iter:   7  06:01:42  -5.23  -3.84  -414.028923    3      1      
iter:   8  06:03:45  -4.83  -3.69  -414.028579    3      1      
iter:   9  06:05:48  -5.50  -4.15  -414.028068    2      1      
iter:  10  06:07:52  -5.48  -4.17  -414.028502    2      1      
iter:  11  06:09:54  -5.93  -4.16  -414.028097    2      1      
iter:  12  06:11:57  -6.38  -4.27  -414.028161    2      1      
iter:  13  06:14:00  -6.36  -4.15  -414.028263    2      1      
iter:  14  06:16:01  -6.34  -4.43  -414.028008    2      1      
iter:  15  06:18:04  -6.67  -4.38  -414.028077    2      1      
iter:  16  06:20:07  -6.79  -4.47  -414.027993    2      1      
iter:  17  06:22:10  -6.97  -4.66  -414.028126    2      1      
iter:  18  06:24:10  -7.19  -4.68  -414.028120    2      1      
iter:  19  06:26:05  -8.02  -4.98  -414.028081    2      1      

Converged after 19 iterations.

Dipole moment: (-55.962292, -32.555951, 0.052049) |e|*Ang

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

Kinetic:        +19.367818
Potential:     -137.592941
External:        +0.000000
XC:            -305.524354
Entropy (-ST):   -1.564653
Local:          +10.503723
--------------------------
Free energy:   -414.810408
Extrapolated:  -414.028081

Fermi level: -6.49064

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56385    0.15006
  0   340     -6.54524    0.14071
  0   341     -6.54391    0.14002
  0   342     -6.51348    0.12375

  1   339     -6.46590    0.19487
  1   340     -6.41713    0.14403
  1   341     -6.38465    0.11437
  1   342     -6.36904    0.10162



Forces in eV/Ang:
  0 O     0.00000   -0.01708    1.17343
  1 Pt    0.00000   -0.00216   -0.37367
  2 Pt    0.00000   -0.01898   -0.43412
  3 O    -1.68357    0.00024   -0.71873
  4 O     1.68357    0.00024   -0.71873
  5 O     0.00000   -0.01244   -1.38540
  6 O     0.00000   -0.00247    1.76666
  7 Pt   -0.00000    0.01380    0.45055
  8 Pt    0.00000   -0.03786    0.75011
  9 O    -1.58098    0.00049    0.05164
 10 O     1.58098    0.00049    0.05164
 11 O     0.00000   -0.00900   -0.56523
 12 O    -0.00000    0.01072    0.14127
 13 Pt   -0.00000    0.26476   -0.03899
 14 Pt    0.00000   -0.01903    0.00829
 15 O    -0.00141    0.00934    0.00314
 16 O     0.00141    0.00934    0.00314
 17 O    -0.00000    0.00376   -0.99215
 18 O    -0.00000    0.00395    0.02465
 19 Pt    0.00000   -0.02338    0.12209
 20 Pt    0.00000   -0.00542    0.16257
 21 O    -0.20428    0.36530    0.21725
 22 O     0.20428    0.36530    0.21725
 23 O     0.00000   -0.01657   -0.08480
 24 O     0.00000   -0.00123    1.14948
 25 Pt   -0.00000    0.01614   -0.37733
 26 Pt    0.00000   -0.00023   -0.43455
 27 O    -1.69226    0.01342   -0.71788
 28 O     1.69226    0.01342   -0.71788
 29 O    -0.00000    0.04756   -1.38500
 30 O     0.00000   -0.00483    1.83207
 31 Pt   -0.00000    0.01917    0.50957
 32 Pt    0.00000   -0.14670    0.56950
 33 O    -1.61484   -0.01899    0.07048
 34 O     1.61484   -0.01899    0.07048
 35 O     0.00000   -0.03234   -0.52422
 36 O    -0.00000    0.20674   -0.10420
 37 Pt    0.00000   -0.30232   -0.03868
 38 Pt    0.00000   -0.00485   -0.01025
 39 O     0.00899    0.01165    0.01453
 40 O    -0.00899    0.01165    0.01453
 41 O     0.00000   -0.00615    0.01885
 42 O    -0.00000    0.02868   -0.01643
 43 Pt    0.00000   -0.00865    0.02766
 44 Pt    0.00000   -0.08904   -0.00009
 45 O    -0.11043   -0.35046   -0.00554
 46 O     0.11043   -0.35046   -0.00554
 47 O     0.00000   -0.02200   -0.05414
 48 O    -0.00000    0.02218    1.17143
 49 Pt    0.00000   -0.02211   -0.37585
 50 Pt   -0.00000    0.02112   -0.43516
 51 O    -1.69139   -0.01397   -0.71830
 52 O     1.69139   -0.01397   -0.71830
 53 O     0.00000   -0.01214   -1.40381
 54 O     0.00000   -0.00195    1.77378
 55 Pt    0.00000   -0.01212    0.51586
 56 Pt   -0.00000    0.12556    0.64721
 57 O    -1.61399    0.01385    0.09213
 58 O     1.61399    0.01385    0.09213
 59 O     0.00000   -0.02119   -0.51582
 60 O     0.00000   -0.19936   -0.10730
 61 Pt   -0.00000    0.01711   -0.08890
 62 Pt   -0.00000    0.01732   -0.00744
 63 O    -0.01503   -0.00685    0.00265
 64 O     0.01503   -0.00685    0.00265
 65 O     0.00000    0.00014    0.00092
 66 O     0.00000   -0.01136   -0.00229
 67 Pt   -0.00000    0.00756    0.02529
 68 Pt   -0.00000    0.14911    0.02220
 69 O    -0.00603    0.00706   -0.03287
 70 O     0.00603    0.00706   -0.03287
 71 O    -0.00000    0.00794   -0.04804
 72 N    -0.00000    0.08989    0.42864
 73 N     0.00000   -0.21047    0.20507

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.561971   23.929519    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.466676   23.726438    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:55:26  -3.45   +inf  -414.116014    4      1      
iter:   2  06:57:31  -2.97  -2.62  -416.328259    4      1      
iter:   3  06:59:33  -3.37  -1.95  -414.064488    2      1      
iter:   4  07:01:33  -3.98  -3.00  -414.039078    3      1      
iter:   5  07:03:36  -4.36  -3.20  -414.033469    3      1      
iter:   6  07:05:38  -4.76  -3.66  -414.031168    3      1      
iter:   7  07:07:40  -4.65  -3.57  -414.027793    3      1      
iter:   8  07:09:41  -4.68  -3.75  -414.027347    3      1      
iter:   9  07:11:44  -4.93  -4.03  -414.026258    3      1      
iter:  10  07:13:46  -5.92  -4.06  -414.027083    2      1      
iter:  11  07:15:49  -5.67  -4.09  -414.026409    2      1      
iter:  12  07:17:50  -6.26  -3.80  -414.026480    2      1      
iter:  13  07:19:53  -6.09  -4.11  -414.026646    2      1      
iter:  14  07:21:55  -5.88  -4.37  -414.026667    2      1      
iter:  15  07:23:57  -6.26  -4.56  -414.026655    2      1      
iter:  16  07:25:58  -6.87  -4.72  -414.026535    2      1      
iter:  17  07:28:01  -7.20  -4.79  -414.026507    2      1      
iter:  18  07:30:02  -7.51  -4.49  -414.026661    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962131, -32.555770, 0.051799) |e|*Ang

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

Kinetic:        +18.034953
Potential:     -136.543613
External:        +0.000000
XC:            -305.235251
Entropy (-ST):   -1.564443
Local:          +10.499471
--------------------------
Free energy:   -414.808883
Extrapolated:  -414.026661

Fermi level: -6.49071

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56396    0.15008
  0   340     -6.54555    0.14084
  0   341     -6.54423    0.14016
  0   342     -6.51341    0.12367

  1   339     -6.46595    0.19486
  1   340     -6.41742    0.14425
  1   341     -6.38491    0.11454
  1   342     -6.36889    0.10145



Forces in eV/Ang:
  0 O     0.00000   -0.01705    1.17430
  1 Pt    0.00000   -0.00221   -0.37308
  2 Pt    0.00000   -0.01896   -0.43454
  3 O    -1.68214    0.00025   -0.71799
  4 O     1.68214    0.00025   -0.71799
  5 O     0.00000   -0.01247   -1.38589
  6 O     0.00000   -0.00248    1.76718
  7 Pt   -0.00000    0.01377    0.45167
  8 Pt    0.00000   -0.03778    0.75039
  9 O    -1.58058    0.00050    0.05199
 10 O     1.58058    0.00050    0.05199
 11 O     0.00000   -0.00900   -0.56471
 12 O    -0.00000    0.01068    0.14182
 13 Pt   -0.00000    0.26570   -0.03512
 14 Pt    0.00000   -0.01875    0.01087
 15 O    -0.00141    0.00933    0.00431
 16 O     0.00141    0.00933    0.00431
 17 O    -0.00000    0.00430   -0.98746
 18 O    -0.00000    0.00458    0.02393
 19 Pt    0.00000   -0.02386    0.11663
 20 Pt   -0.00000    0.00168    0.17601
 21 O    -0.20653    0.36579    0.20829
 22 O     0.20653    0.36579    0.20829
 23 O     0.00000   -0.01849   -0.08816
 24 O     0.00000   -0.00125    1.15035
 25 Pt   -0.00000    0.01615   -0.37678
 26 Pt    0.00000   -0.00024   -0.43497
 27 O    -1.69084    0.01341   -0.71713
 28 O     1.69084    0.01341   -0.71713
 29 O    -0.00000    0.04757   -1.38551
 30 O     0.00000   -0.00479    1.83264
 31 Pt   -0.00000    0.01920    0.51069
 32 Pt    0.00000   -0.14678    0.56988
 33 O    -1.61444   -0.01900    0.07083
 34 O     1.61444   -0.01900    0.07083
 35 O     0.00000   -0.03233   -0.52366
 36 O    -0.00000    0.20678   -0.10338
 37 Pt    0.00000   -0.30325   -0.03417
 38 Pt    0.00000   -0.00520   -0.00789
 39 O     0.00868    0.01168    0.01626
 40 O    -0.00868    0.01168    0.01626
 41 O     0.00000   -0.00614    0.02589
 42 O    -0.00000    0.02785   -0.01690
 43 Pt    0.00000   -0.00879    0.02187
 44 Pt    0.00000   -0.09577    0.00243
 45 O    -0.11271   -0.35176   -0.01358
 46 O     0.11271   -0.35176   -0.01358
 47 O     0.00000   -0.01964   -0.05776
 48 O    -0.00000    0.02217    1.17230
 49 Pt    0.00000   -0.02208   -0.37527
 50 Pt   -0.00000    0.02111   -0.43553
 51 O    -1.68995   -0.01398   -0.71756
 52 O     1.68995   -0.01398   -0.71756
 53 O     0.00000   -0.01212   -1.40441
 54 O     0.00000   -0.00198    1.77436
 55 Pt    0.00000   -0.01212    0.51697
 56 Pt   -0.00000    0.12555    0.64782
 57 O    -1.61355    0.01385    0.09245
 58 O     1.61355    0.01385    0.09245
 59 O     0.00000   -0.02120   -0.51545
 60 O     0.00000   -0.19948   -0.10670
 61 Pt   -0.00000    0.01692   -0.08545
 62 Pt   -0.00000    0.01737   -0.00545
 63 O    -0.01513   -0.00685    0.00374
 64 O     0.01513   -0.00685    0.00374
 65 O     0.00000    0.00031    0.00757
 66 O     0.00000   -0.01135   -0.00300
 67 Pt   -0.00000    0.00797    0.02005
 68 Pt   -0.00000    0.14882    0.01235
 69 O    -0.00800    0.00809   -0.04145
 70 O     0.00800    0.00809   -0.04145
 71 O    -0.00000    0.00759   -0.05227
 72 N     0.00000   -1.07124    0.21987
 73 N    -0.00000    1.00082    0.44840

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.555806   23.930734    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.469181   23.729124    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:53:58  -3.54   +inf  -414.104655    4      1      
iter:   2  07:56:01  -3.27  -2.77  -415.083223    4      1      
iter:   3  07:58:01  -3.50  -2.10  -414.058754    3      1      
iter:   4  08:00:00  -4.06  -2.89  -414.041833    3      1      
iter:   5  08:02:00  -4.94  -3.44  -414.036898    3      1      
iter:   6  08:03:59  -4.74  -3.48  -414.032275    3      1      
iter:   7  08:05:59  -5.08  -3.75  -414.032748    3      1      
iter:   8  08:07:59  -4.70  -3.70  -414.032190    3      1      
iter:   9  08:09:59  -5.31  -4.01  -414.031951    2      1      
iter:  10  08:11:59  -5.21  -3.99  -414.032572    2      1      
iter:  11  08:13:59  -5.89  -4.10  -414.031669    3      1      
iter:  12  08:15:59  -6.23  -3.94  -414.031982    2      1      
iter:  13  08:17:59  -6.20  -4.15  -414.032088    2      1      
iter:  14  08:19:58  -6.05  -4.37  -414.031837    2      1      
iter:  15  08:21:59  -6.45  -4.41  -414.031799    2      1      
iter:  16  08:23:58  -6.57  -4.51  -414.031798    2      1      
iter:  17  08:25:58  -6.85  -4.69  -414.032024    2      1      
iter:  18  08:27:57  -7.28  -4.82  -414.031878    2      1      
iter:  19  08:29:50  -7.83  -5.04  -414.031878    2      1      

Converged after 19 iterations.

Dipole moment: (-55.962317, -32.556041, 0.052354) |e|*Ang

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

Kinetic:        +19.330379
Potential:     -137.564600
External:        +0.000000
XC:            -305.517769
Entropy (-ST):   -1.564685
Local:          +10.502455
--------------------------
Free energy:   -414.814220
Extrapolated:  -414.031878

Fermi level: -6.49031

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56330    0.14995
  0   340     -6.54497    0.14075
  0   341     -6.54366    0.14007
  0   342     -6.51307    0.12370

  1   339     -6.46562    0.19493
  1   340     -6.41684    0.14408
  1   341     -6.38426    0.11432
  1   342     -6.36870    0.10161



Forces in eV/Ang:
  0 O     0.00000   -0.01709    1.17315
  1 Pt    0.00000   -0.00217   -0.37384
  2 Pt    0.00000   -0.01897   -0.43455
  3 O    -1.68316    0.00025   -0.71880
  4 O     1.68316    0.00025   -0.71880
  5 O     0.00000   -0.01244   -1.38568
  6 O     0.00000   -0.00251    1.76786
  7 Pt   -0.00000    0.01383    0.45134
  8 Pt    0.00000   -0.03793    0.75071
  9 O    -1.58107    0.00050    0.05175
 10 O     1.58107    0.00050    0.05175
 11 O     0.00000   -0.00902   -0.56510
 12 O    -0.00000    0.01070    0.14081
 13 Pt   -0.00000    0.26501   -0.03882
 14 Pt    0.00000   -0.01899    0.00822
 15 O    -0.00164    0.00943    0.00316
 16 O     0.00164    0.00943    0.00316
 17 O    -0.00000    0.00426   -0.99039
 18 O    -0.00000    0.00385    0.02429
 19 Pt    0.00000   -0.02327    0.12365
 20 Pt    0.00000   -0.00718    0.16679
 21 O    -0.20457    0.36597    0.21719
 22 O     0.20457    0.36597    0.21719
 23 O     0.00000   -0.01579   -0.08290
 24 O     0.00000   -0.00123    1.14918
 25 Pt   -0.00000    0.01614   -0.37750
 26 Pt    0.00000   -0.00024   -0.43498
 27 O    -1.69185    0.01342   -0.71797
 28 O     1.69185    0.01342   -0.71797
 29 O    -0.00000    0.04755   -1.38526
 30 O     0.00000   -0.00473    1.83329
 31 Pt   -0.00000    0.01915    0.51041
 32 Pt    0.00000   -0.14655    0.57027
 33 O    -1.61491   -0.01900    0.07061
 34 O     1.61491   -0.01900    0.07061
 35 O     0.00000   -0.03230   -0.52407
 36 O    -0.00000    0.20668   -0.10456
 37 Pt    0.00000   -0.30281   -0.03859
 38 Pt    0.00000   -0.00489   -0.01037
 39 O     0.00866    0.01158    0.01457
 40 O    -0.00866    0.01158    0.01457
 41 O     0.00000   -0.00585    0.02057
 42 O    -0.00000    0.02892   -0.01688
 43 Pt    0.00000   -0.00873    0.03202
 44 Pt    0.00000   -0.08982    0.00490
 45 O    -0.11386   -0.35152    0.00019
 46 O     0.11386   -0.35152    0.00019
 47 O     0.00000   -0.02275   -0.05238
 48 O    -0.00000    0.02218    1.17114
 49 Pt    0.00000   -0.02211   -0.37601
 50 Pt   -0.00000    0.02112   -0.43558
 51 O    -1.69097   -0.01398   -0.71836
 52 O     1.69097   -0.01398   -0.71836
 53 O     0.00000   -0.01214   -1.40399
 54 O     0.00000   -0.00200    1.77505
 55 Pt    0.00000   -0.01214    0.51664
 56 Pt   -0.00000    0.12551    0.64789
 57 O    -1.61407    0.01384    0.09225
 58 O     1.61407    0.01384    0.09225
 59 O     0.00000   -0.02121   -0.51575
 60 O     0.00000   -0.19920   -0.10726
 61 Pt   -0.00000    0.01706   -0.08881
 62 Pt   -0.00000    0.01734   -0.00738
 63 O    -0.01521   -0.00687    0.00270
 64 O     0.01521   -0.00687    0.00270
 65 O     0.00000    0.00018    0.00295
 66 O     0.00000   -0.01152   -0.00280
 67 Pt   -0.00000    0.00755    0.02659
 68 Pt   -0.00000    0.14891    0.02410
 69 O    -0.00642    0.00682   -0.03288
 70 O     0.00642    0.00682   -0.03288
 71 O    -0.00000    0.00796   -0.04712
 72 N    -0.00000    0.12641    0.42238
 73 N     0.00000   -0.19834    0.22604

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.552407   23.934878    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.463543   23.733229    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:53:39  -3.83   +inf  -414.040688    3      1      
iter:   2  08:55:38  -3.87  -3.10  -414.347819    3      1      
iter:   3  08:57:39  -4.18  -2.37  -414.039714    3      1      
iter:   4  08:59:37  -4.90  -3.59  -414.035765    3      1      
iter:   5  09:01:36  -5.29  -3.85  -414.035342    3      1      
iter:   6  09:03:35  -5.59  -4.26  -414.035385    3      1      
iter:   7  09:05:36  -5.46  -4.03  -414.034738    3      1      
iter:   8  09:07:34  -5.85  -4.49  -414.034851    2      1      
iter:   9  09:09:33  -6.32  -4.47  -414.034700    2      1      
iter:  10  09:11:33  -6.70  -4.63  -414.034948    2      1      
iter:  11  09:13:32  -7.14  -4.55  -414.034711    2      1      
iter:  12  09:15:32  -7.22  -4.64  -414.034745    2      1      
iter:  13  09:17:32  -7.38  -4.79  -414.034857    2      1      
iter:  14  09:19:27  -7.53  -4.81  -414.034828    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962305, -32.556036, 0.052589) |e|*Ang

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

Kinetic:        +18.990544
Potential:     -137.305126
External:        +0.000000
XC:            -305.437726
Entropy (-ST):   -1.564641
Local:          +10.499801
--------------------------
Free energy:   -414.817148
Extrapolated:  -414.034828

Fermi level: -6.48998

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56285    0.14989
  0   340     -6.54474    0.14079
  0   341     -6.54345    0.14013
  0   342     -6.51266    0.12366

  1   339     -6.46530    0.19494
  1   340     -6.41661    0.14416
  1   341     -6.38395    0.11433
  1   342     -6.36830    0.10155



Forces in eV/Ang:
  0 O     0.00000   -0.01710    1.17351
  1 Pt    0.00000   -0.00221   -0.37328
  2 Pt    0.00000   -0.01901   -0.43368
  3 O    -1.68282    0.00021   -0.71861
  4 O     1.68282    0.00021   -0.71861
  5 O     0.00000   -0.01243   -1.38595
  6 O     0.00000   -0.00251    1.76935
  7 Pt   -0.00000    0.01390    0.45166
  8 Pt    0.00000   -0.03791    0.75077
  9 O    -1.58083    0.00058    0.05168
 10 O     1.58083    0.00058    0.05168
 11 O     0.00000   -0.00899   -0.56500
 12 O    -0.00000    0.01064    0.14016
 13 Pt   -0.00000    0.26571   -0.03749
 14 Pt    0.00000   -0.01880    0.00878
 15 O    -0.00169    0.00953    0.00346
 16 O     0.00169    0.00953    0.00346
 17 O    -0.00000    0.00508   -0.98955
 18 O    -0.00000    0.00435    0.02382
 19 Pt    0.00000   -0.02393    0.11958
 20 Pt    0.00000   -0.00589    0.17040
 21 O    -0.20583    0.36616    0.21355
 22 O     0.20583    0.36616    0.21355
 23 O     0.00000   -0.01707   -0.08507
 24 O     0.00000   -0.00120    1.14956
 25 Pt   -0.00000    0.01617   -0.37694
 26 Pt    0.00000   -0.00016   -0.43414
 27 O    -1.69149    0.01342   -0.71778
 28 O     1.69149    0.01342   -0.71778
 29 O    -0.00000    0.04751   -1.38564
 30 O     0.00000   -0.00474    1.83461
 31 Pt   -0.00000    0.01912    0.51080
 32 Pt    0.00000   -0.14656    0.57045
 33 O    -1.61467   -0.01905    0.07057
 34 O     1.61467   -0.01905    0.07057
 35 O     0.00000   -0.03233   -0.52396
 36 O    -0.00000    0.20709   -0.10519
 37 Pt    0.00000   -0.30353   -0.03694
 38 Pt    0.00000   -0.00516   -0.00989
 39 O     0.00849    0.01154    0.01524
 40 O    -0.00849    0.01154    0.01524
 41 O     0.00000   -0.00584    0.02287
 42 O    -0.00000    0.02831   -0.01725
 43 Pt    0.00000   -0.00858    0.02819
 44 Pt    0.00000   -0.09281    0.00431
 45 O    -0.11603   -0.35241    0.00052
 46 O     0.11603   -0.35241    0.00052
 47 O     0.00000   -0.02117   -0.05473
 48 O    -0.00000    0.02215    1.17153
 49 Pt    0.00000   -0.02209   -0.37549
 50 Pt   -0.00000    0.02109   -0.43478
 51 O    -1.69066   -0.01395   -0.71818
 52 O     1.69066   -0.01395   -0.71818
 53 O     0.00000   -0.01212   -1.40440
 54 O     0.00000   -0.00200    1.77613
 55 Pt    0.00000   -0.01217    0.51689
 56 Pt   -0.00000    0.12551    0.64810
 57 O    -1.61379    0.01381    0.09213
 58 O     1.61379    0.01381    0.09213
 59 O     0.00000   -0.02121   -0.51565
 60 O     0.00000   -0.19953   -0.10804
 61 Pt   -0.00000    0.01684   -0.08783
 62 Pt   -0.00000    0.01740   -0.00715
 63 O    -0.01526   -0.00694    0.00291
 64 O     0.01526   -0.00694    0.00291
 65 O     0.00000    0.00015    0.00496
 66 O     0.00000   -0.01148   -0.00319
 67 Pt   -0.00000    0.00805    0.02292
 68 Pt   -0.00000    0.14882    0.01704
 69 O    -0.00762    0.00730   -0.03637
 70 O     0.00762    0.00730   -0.03637
 71 O    -0.00000    0.00766   -0.04979
 72 N     0.00000   -0.17378    0.34390
 73 N    -0.00000    0.13958    0.31342

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.543069   23.940537    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.458886   23.740790    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:32:43  -3.39   +inf  -414.065677    4      1      
iter:   2  09:34:42  -3.77  -3.04  -414.256331    3      1      
iter:   3  09:36:42  -4.02  -2.42  -414.054198    3      1      
iter:   4  09:38:40  -4.54  -2.98  -414.041515    3      1      
iter:   5  09:40:39  -5.22  -3.84  -414.039637    3      1      
iter:   6  09:42:39  -4.98  -3.69  -414.037734    3      1      
iter:   7  09:44:39  -5.20  -3.92  -414.038546    3      1      
iter:   8  09:46:38  -5.18  -4.26  -414.038411    3      1      
iter:   9  09:48:38  -5.62  -4.15  -414.038247    3      1      
iter:  10  09:50:36  -6.11  -4.06  -414.038934    2      1      
iter:  11  09:52:34  -6.43  -4.14  -414.038395    3      1      
iter:  12  09:54:31  -6.25  -4.39  -414.038658    2      1      
iter:  13  09:56:34  -6.42  -4.42  -414.038496    2      1      
iter:  14  09:58:37  -6.70  -4.74  -414.038481    2      1      
iter:  15  10:00:31  -7.06  -4.87  -414.038415    2      1      
iter:  16  10:02:26  -7.17  -4.47  -414.038320    2      1      
iter:  17  10:04:26  -7.60  -4.86  -414.038451    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962351, -32.555160, 0.052015) |e|*Ang

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

Kinetic:        +19.763831
Potential:     -137.929582
External:        +0.000000
XC:            -305.592217
Entropy (-ST):   -1.564731
Local:          +10.501884
--------------------------
Free energy:   -414.820816
Extrapolated:  -414.038451

Fermi level: -6.49096

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56378    0.14987
  0   340     -6.54545    0.14066
  0   341     -6.54412    0.13997
  0   342     -6.51374    0.12371

  1   339     -6.46613    0.19478
  1   340     -6.41737    0.14396
  1   341     -6.38469    0.11414
  1   342     -6.36939    0.10164



Forces in eV/Ang:
  0 O     0.00000   -0.01713    1.17334
  1 Pt    0.00000   -0.00219   -0.37425
  2 Pt    0.00000   -0.01900   -0.43479
  3 O    -1.68392    0.00023   -0.71880
  4 O     1.68392    0.00023   -0.71880
  5 O     0.00000   -0.01235   -1.38551
  6 O     0.00000   -0.00241    1.76473
  7 Pt   -0.00000    0.01380    0.44999
  8 Pt    0.00000   -0.03797    0.74982
  9 O    -1.58092    0.00050    0.05151
 10 O     1.58092    0.00050    0.05151
 11 O     0.00000   -0.00895   -0.56536
 12 O    -0.00000    0.01049    0.14025
 13 Pt   -0.00000    0.26585   -0.03910
 14 Pt    0.00000   -0.01925    0.00775
 15 O    -0.00132    0.00936    0.00313
 16 O     0.00132    0.00936    0.00313
 17 O    -0.00000    0.00592   -0.99475
 18 O    -0.00000    0.00374    0.02474
 19 Pt    0.00000   -0.02389    0.12279
 20 Pt    0.00000   -0.01423    0.16331
 21 O    -0.20479    0.36662    0.21757
 22 O     0.20479    0.36662    0.21757
 23 O     0.00000   -0.01629   -0.08336
 24 O     0.00000   -0.00120    1.14938
 25 Pt   -0.00000    0.01620   -0.37780
 26 Pt    0.00000   -0.00022   -0.43520
 27 O    -1.69258    0.01341   -0.71795
 28 O     1.69258    0.01341   -0.71795
 29 O    -0.00000    0.04741   -1.38518
 30 O     0.00000   -0.00485    1.83021
 31 Pt   -0.00000    0.01918    0.50899
 32 Pt    0.00000   -0.14634    0.56955
 33 O    -1.61478   -0.01897    0.07037
 34 O     1.61478   -0.01897    0.07037
 35 O     0.00000   -0.03237   -0.52439
 36 O    -0.00000    0.20752   -0.10554
 37 Pt    0.00000   -0.30404   -0.03879
 38 Pt    0.00000   -0.00467   -0.01078
 39 O     0.00923    0.01163    0.01461
 40 O    -0.00923    0.01163    0.01461
 41 O     0.00000   -0.00567    0.01784
 42 O    -0.00000    0.02889   -0.01627
 43 Pt    0.00000   -0.00795    0.03310
 44 Pt    0.00000   -0.08937    0.00312
 45 O    -0.11767   -0.35285    0.01058
 46 O     0.11767   -0.35285    0.01058
 47 O     0.00000   -0.02219   -0.05303
 48 O    -0.00000    0.02219    1.17132
 49 Pt    0.00000   -0.02213   -0.37641
 50 Pt   -0.00000    0.02113   -0.43593
 51 O    -1.69173   -0.01396   -0.71836
 52 O     1.69173   -0.01396   -0.71836
 53 O     0.00000   -0.01212   -1.40392
 54 O     0.00000   -0.00199    1.77190
 55 Pt    0.00000   -0.01214    0.51529
 56 Pt   -0.00000    0.12541    0.64717
 57 O    -1.61395    0.01381    0.09196
 58 O     1.61395    0.01381    0.09196
 59 O     0.00000   -0.02121   -0.51588
 60 O     0.00000   -0.19962   -0.10811
 61 Pt   -0.00000    0.01684   -0.08945
 62 Pt   -0.00000    0.01739   -0.00785
 63 O    -0.01500   -0.00685    0.00270
 64 O     0.01500   -0.00685    0.00270
 65 O     0.00000    0.00024   -0.00046
 66 O     0.00000   -0.01141   -0.00235
 67 Pt   -0.00000    0.00765    0.02585
 68 Pt   -0.00000    0.14930    0.02269
 69 O    -0.00623    0.00630   -0.03241
 70 O     0.00623    0.00630   -0.03241
 71 O    -0.00000    0.00790   -0.04747
 72 N    -0.00000    0.47412    0.44490
 73 N     0.00000   -0.57965    0.12788

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.538352   23.947542    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.449377   23.747305    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:11:48  -3.39   +inf  -414.046232    3      1      
iter:   2  10:13:56  -3.96  -3.12  -414.127715    4      1      
iter:   3  10:16:06  -4.26  -2.71  -414.073692    3      1      
iter:   4  10:18:17  -4.63  -2.93  -414.047589    3      1      
iter:   5  10:20:29  -5.12  -3.61  -414.046158    3      1      
iter:   6  10:22:39  -5.05  -3.84  -414.046395    3      1      
iter:   7  10:24:50  -4.91  -3.66  -414.044418    3      1      
iter:   8  10:26:57  -5.35  -4.29  -414.044396    3      1      
iter:   9  10:29:02  -5.94  -4.21  -414.044554    2      1      
iter:  10  10:31:10  -6.30  -4.27  -414.043993    2      1      
iter:  11  10:33:19  -6.55  -4.31  -414.044323    2      1      
iter:  12  10:35:25  -6.61  -4.60  -414.044207    2      1      
iter:  13  10:37:30  -6.86  -4.63  -414.044436    2      1      
iter:  14  10:39:38  -6.90  -4.40  -414.044335    2      1      
iter:  15  10:41:38  -6.84  -4.72  -414.044259    2      1      
iter:  16  10:43:35  -7.28  -4.76  -414.044302    2      1      
iter:  17  10:45:33  -7.72  -5.03  -414.044215    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962317, -32.554723, 0.051671) |e|*Ang

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

Kinetic:        +19.017187
Potential:     -137.354353
External:        +0.000000
XC:            -305.423445
Entropy (-ST):   -1.564871
Local:          +10.498832
--------------------------
Free energy:   -414.826650
Extrapolated:  -414.044215

Fermi level: -6.49091

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56371    0.14986
  0   340     -6.54552    0.14072
  0   341     -6.54422    0.14004
  0   342     -6.51366    0.12369

  1   339     -6.46616    0.19486
  1   340     -6.41739    0.14402
  1   341     -6.38475    0.11422
  1   342     -6.36928    0.10159



Forces in eV/Ang:
  0 O     0.00000   -0.01710    1.17384
  1 Pt    0.00000   -0.00222   -0.37316
  2 Pt    0.00000   -0.01896   -0.43351
  3 O    -1.68331    0.00026   -0.71851
  4 O     1.68331    0.00026   -0.71851
  5 O     0.00000   -0.01237   -1.38584
  6 O     0.00000   -0.00251    1.76733
  7 Pt   -0.00000    0.01381    0.45088
  8 Pt    0.00000   -0.03805    0.75053
  9 O    -1.58102    0.00049    0.05144
 10 O     1.58102    0.00049    0.05144
 11 O     0.00000   -0.00898   -0.56545
 12 O    -0.00000    0.01063    0.14017
 13 Pt   -0.00000    0.26657   -0.03846
 14 Pt    0.00000   -0.01893    0.00858
 15 O    -0.00140    0.00951    0.00331
 16 O     0.00140    0.00951    0.00331
 17 O    -0.00000    0.00688   -0.99677
 18 O    -0.00000    0.00407    0.02440
 19 Pt    0.00000   -0.02432    0.11781
 20 Pt    0.00000   -0.01179    0.17070
 21 O    -0.20551    0.36668    0.21312
 22 O     0.20551    0.36668    0.21312
 23 O     0.00000   -0.01764   -0.08576
 24 O     0.00000   -0.00122    1.14987
 25 Pt   -0.00000    0.01621   -0.37679
 26 Pt    0.00000   -0.00025   -0.43393
 27 O    -1.69201    0.01340   -0.71766
 28 O     1.69201    0.01340   -0.71766
 29 O    -0.00000    0.04738   -1.38558
 30 O     0.00000   -0.00473    1.83284
 31 Pt   -0.00000    0.01917    0.51000
 32 Pt    0.00000   -0.14619    0.57044
 33 O    -1.61479   -0.01901    0.07032
 34 O     1.61479   -0.01901    0.07032
 35 O     0.00000   -0.03234   -0.52442
 36 O    -0.00000    0.20769   -0.10557
 37 Pt    0.00000   -0.30505   -0.03798
 38 Pt    0.00000   -0.00503   -0.01017
 39 O     0.00881    0.01161    0.01513
 40 O    -0.00881    0.01161    0.01513
 41 O     0.00000   -0.00548    0.01855
 42 O    -0.00000    0.02848   -0.01658
 43 Pt    0.00000   -0.00793    0.02904
 44 Pt    0.00000   -0.09365    0.00396
 45 O    -0.12051   -0.35398    0.01037
 46 O     0.12051   -0.35398    0.01037
 47 O     0.00000   -0.02061   -0.05553
 48 O    -0.00000    0.02217    1.17182
 49 Pt    0.00000   -0.02211   -0.37533
 50 Pt   -0.00000    0.02113   -0.43457
 51 O    -1.69112   -0.01398   -0.71809
 52 O     1.69112   -0.01398   -0.71809
 53 O     0.00000   -0.01209   -1.40424
 54 O     0.00000   -0.00201    1.77471
 55 Pt    0.00000   -0.01214    0.51617
 56 Pt   -0.00000    0.12537    0.64801
 57 O    -1.61402    0.01385    0.09186
 58 O     1.61402    0.01385    0.09186
 59 O     0.00000   -0.02121   -0.51617
 60 O     0.00000   -0.19995   -0.10814
 61 Pt   -0.00000    0.01677   -0.08905
 62 Pt   -0.00000    0.01742   -0.00735
 63 O    -0.01512   -0.00697    0.00281
 64 O     0.01512   -0.00697    0.00281
 65 O     0.00000    0.00026    0.00122
 66 O     0.00000   -0.01143   -0.00266
 67 Pt   -0.00000    0.00801    0.02112
 68 Pt   -0.00000    0.14898    0.01545
 69 O    -0.00710    0.00694   -0.03663
 70 O     0.00710    0.00694   -0.03663
 71 O    -0.00000    0.00773   -0.05043
 72 N     0.00000   -0.18000    0.34023
 73 N    -0.00000    0.05387    0.21541

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O      O           
                  Pt Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        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    3.531280   23.954679    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.441725   23.753935    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:51:51  -3.49   +inf  -414.049185    3      1      
iter:   2  10:54:03  -4.44  -3.91  -414.050523    2      1      
iter:   3  10:56:12  -5.03  -3.46  -414.049984    2      1      
iter:   4  10:58:22  -5.37  -3.72  -414.049027    2      1      
iter:   5  11:00:32  -5.28  -4.24  -414.050164    2      1      
iter:   6  11:02:41  -5.59  -4.06  -414.048928    3      1      
iter:   7  11:04:49  -6.35  -4.47  -414.049178    2      1      
iter:   8  11:06:54  -6.23  -4.45  -414.049018    2      1      
iter:   9  11:09:03  -6.50  -4.84  -414.049045    2      1      
iter:  10  11:11:10  -6.87  -4.79  -414.049037    2      1      
iter:  11  11:13:15  -7.40  -4.86  -414.049011    2      1      
iter:  12  11:15:22  -7.68  -5.10  -414.049202    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962349, -32.554405, 0.051134) |e|*Ang

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

Kinetic:        +18.821841
Potential:     -137.198818
External:        +0.000000
XC:            -305.388607
Entropy (-ST):   -1.564559
Local:          +10.498661
--------------------------
Free energy:   -414.831481
Extrapolated:  -414.049202

Fermi level: -6.49163

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56415    0.14972
  0   340     -6.54630    0.14075
  0   341     -6.54502    0.14009
  0   342     -6.51427    0.12363

  1   339     -6.46667    0.19463
  1   340     -6.41821    0.14412
  1   341     -6.38535    0.11412
  1   342     -6.36985    0.10148



Forces in eV/Ang:
  0 O     0.00000   -0.01713    1.17365
  1 Pt    0.00000   -0.00225   -0.37435
  2 Pt    0.00000   -0.01900   -0.43488
  3 O    -1.68375    0.00018   -0.71879
  4 O     1.68375    0.00018   -0.71879
  5 O     0.00000   -0.01236   -1.38580
  6 O     0.00000   -0.00252    1.76618
  7 Pt   -0.00000    0.01391    0.45063
  8 Pt    0.00000   -0.03810    0.75001
  9 O    -1.58067    0.00060    0.05154
 10 O     1.58067    0.00060    0.05154
 11 O     0.00000   -0.00898   -0.56487
 12 O    -0.00000    0.01053    0.13981
 13 Pt   -0.00000    0.26696   -0.03752
 14 Pt    0.00000   -0.01902    0.00928
 15 O    -0.00138    0.00949    0.00346
 16 O     0.00138    0.00949    0.00346
 17 O    -0.00000    0.00765   -0.99480
 18 O    -0.00000    0.00398    0.02426
 19 Pt    0.00000   -0.02413    0.12139
 20 Pt    0.00000   -0.01511    0.17226
 21 O    -0.20603    0.36783    0.21510
 22 O     0.20603    0.36783    0.21510
 23 O     0.00000   -0.01680   -0.08536
 24 O     0.00000   -0.00115    1.14970
 25 Pt   -0.00000    0.01624   -0.37795
 26 Pt    0.00000   -0.00014   -0.43539
 27 O    -1.69242    0.01345   -0.71797
 28 O     1.69242    0.01345   -0.71797
 29 O    -0.00000    0.04736   -1.38564
 30 O     0.00000   -0.00471    1.83129
 31 Pt   -0.00000    0.01910    0.50978
 32 Pt    0.00000   -0.14607    0.57013
 33 O    -1.61444   -0.01909    0.07043
 34 O     1.61444   -0.01909    0.07043
 35 O     0.00000   -0.03231   -0.52386
 36 O    -0.00000    0.20822   -0.10600
 37 Pt    0.00000   -0.30552   -0.03725
 38 Pt    0.00000   -0.00483   -0.00925
 39 O     0.00890    0.01159    0.01519
 40 O    -0.00890    0.01159    0.01519
 41 O     0.00000   -0.00502    0.02106
 42 O    -0.00000    0.02879   -0.01679
 43 Pt    0.00000   -0.00785    0.03502
 44 Pt    0.00000   -0.09444    0.00896
 45 O    -0.12481   -0.35536    0.02049
 46 O     0.12481   -0.35536    0.02049
 47 O     0.00000   -0.02125   -0.05496
 48 O    -0.00000    0.02213    1.17167
 49 Pt    0.00000   -0.02211   -0.37657
 50 Pt   -0.00000    0.02105   -0.43610
 51 O    -1.69161   -0.01395   -0.71834
 52 O     1.69161   -0.01395   -0.71834
 53 O     0.00000   -0.01209   -1.40427
 54 O     0.00000   -0.00201    1.77296
 55 Pt    0.00000   -0.01216    0.51587
 56 Pt   -0.00000    0.12534    0.64765
 57 O    -1.61363    0.01382    0.09196
 58 O     1.61363    0.01382    0.09196
 59 O     0.00000   -0.02123   -0.51552
 60 O     0.00000   -0.20026   -0.10837
 61 Pt   -0.00000    0.01656   -0.08823
 62 Pt   -0.00000    0.01733   -0.00621
 63 O    -0.01500   -0.00695    0.00301
 64 O     0.01500   -0.00695    0.00301
 65 O     0.00000    0.00010    0.00424
 66 O     0.00000   -0.01165   -0.00283
 67 Pt   -0.00000    0.00780    0.02463
 68 Pt   -0.00000    0.14929    0.01947
 69 O    -0.00734    0.00635   -0.03438
 70 O     0.00734    0.00635   -0.03438
 71 O    -0.00000    0.00753   -0.04980
 72 N     0.00000   -0.19446    0.33264
 73 N    -0.00000    0.15112    0.25973

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.523898   23.961865    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.434382   23.760947    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:30:42  -3.48   +inf  -414.050494    3      1      
iter:   2  11:32:53  -4.22  -3.28  -414.083160    3      1      
iter:   3  11:35:04  -4.51  -3.00  -414.067210    3      1      
iter:   4  11:37:16  -4.98  -3.07  -414.054342    3      1      
iter:   5  11:39:26  -5.37  -4.00  -414.053536    3      1      
iter:   6  11:41:32  -5.47  -3.98  -414.053898    2      1      
iter:   7  11:43:38  -6.08  -4.50  -414.053808    2      1      
iter:   8  11:45:46  -6.03  -4.47  -414.053830    2      1      
iter:   9  11:47:52  -6.14  -4.54  -414.054042    2      1      
iter:  10  11:49:58  -6.91  -4.64  -414.053657    2      1      
iter:  11  11:52:06  -7.19  -4.73  -414.053845    2      1      
iter:  12  11:54:11  -7.62  -5.14  -414.053805    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962348, -32.553988, 0.051253) |e|*Ang

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

Kinetic:        +18.811364
Potential:     -137.201975
External:        +0.000000
XC:            -305.379337
Entropy (-ST):   -1.564971
Local:          +10.498629
--------------------------
Free energy:   -414.836291
Extrapolated:  -414.053805

Fermi level: -6.49138

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56405    0.14980
  0   340     -6.54589    0.14066
  0   341     -6.54458    0.13999
  0   342     -6.51420    0.12373

  1   339     -6.46652    0.19474
  1   340     -6.41777    0.14393
  1   341     -6.38509    0.11411
  1   342     -6.36976    0.10160



Forces in eV/Ang:
  0 O     0.00000   -0.01714    1.17405
  1 Pt    0.00000   -0.00217   -0.37319
  2 Pt    0.00000   -0.01898   -0.43356
  3 O    -1.68368    0.00020   -0.71851
  4 O     1.68368    0.00020   -0.71851
  5 O     0.00000   -0.01231   -1.38520
  6 O     0.00000   -0.00249    1.76633
  7 Pt   -0.00000    0.01386    0.45076
  8 Pt    0.00000   -0.03813    0.75006
  9 O    -1.58114    0.00063    0.05166
 10 O     1.58114    0.00063    0.05166
 11 O     0.00000   -0.00898   -0.56531
 12 O    -0.00000    0.01052    0.13990
 13 Pt   -0.00000    0.26750   -0.03887
 14 Pt    0.00000   -0.01917    0.00784
 15 O    -0.00155    0.00929    0.00323
 16 O     0.00155    0.00929    0.00323
 17 O    -0.00000    0.00847   -0.99952
 18 O    -0.00000    0.00390    0.02438
 19 Pt    0.00000   -0.02456    0.11965
 20 Pt    0.00000   -0.01769    0.17086
 21 O    -0.20571    0.36836    0.21516
 22 O     0.20571    0.36836    0.21516
 23 O     0.00000   -0.01679   -0.08617
 24 O     0.00000   -0.00116    1.15003
 25 Pt   -0.00000    0.01621   -0.37674
 26 Pt    0.00000   -0.00018   -0.43418
 27 O    -1.69234    0.01345   -0.71767
 28 O     1.69234    0.01345   -0.71767
 29 O    -0.00000    0.04723   -1.38528
 30 O     0.00000   -0.00498    1.83145
 31 Pt   -0.00000    0.01912    0.50984
 32 Pt    0.00000   -0.14608    0.57064
 33 O    -1.61492   -0.01914    0.07053
 34 O     1.61492   -0.01914    0.07053
 35 O     0.00000   -0.03239   -0.52407
 36 O    -0.00000    0.20873   -0.10615
 37 Pt    0.00000   -0.30618   -0.03864
 38 Pt    0.00000   -0.00421   -0.01064
 39 O     0.00884    0.01180    0.01492
 40 O    -0.00884    0.01180    0.01492
 41 O     0.00000   -0.00467    0.01506
 42 O    -0.00000    0.02896   -0.01669
 43 Pt    0.00000   -0.00731    0.03487
 44 Pt    0.00000   -0.09524    0.00837
 45 O    -0.12788   -0.35619    0.02777
 46 O     0.12788   -0.35619    0.02777
 47 O     0.00000   -0.02115   -0.05577
 48 O    -0.00000    0.02215    1.17199
 49 Pt    0.00000   -0.02215   -0.37554
 50 Pt   -0.00000    0.02108   -0.43491
 51 O    -1.69157   -0.01397   -0.71810
 52 O     1.69157   -0.01397   -0.71810
 53 O     0.00000   -0.01202   -1.40390
 54 O     0.00000   -0.00178    1.77324
 55 Pt    0.00000   -0.01213    0.51629
 56 Pt   -0.00000    0.12542    0.64819
 57 O    -1.61406    0.01382    0.09216
 58 O     1.61406    0.01382    0.09216
 59 O     0.00000   -0.02116   -0.51563
 60 O     0.00000   -0.20071   -0.10840
 61 Pt   -0.00000    0.01638   -0.09006
 62 Pt   -0.00000    0.01686   -0.00762
 63 O    -0.01555   -0.00693    0.00290
 64 O     0.01555   -0.00693    0.00290
 65 O     0.00000    0.00000   -0.00203
 66 O     0.00000   -0.01174   -0.00267
 67 Pt   -0.00000    0.00779    0.02278
 68 Pt   -0.00000    0.14948    0.01741
 69 O    -0.00636    0.00587   -0.03420
 70 O     0.00636    0.00587   -0.03420
 71 O    -0.00000    0.00735   -0.05034
 72 N     0.00000   -0.17675    0.28633
 73 N    -0.00000    0.16302    0.23271

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.517244   23.969146    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.426750   23.767652    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:08:40  -3.49   +inf  -414.066733    3      1      
iter:   2  12:10:49  -3.85  -3.11  -414.324677    2      1      
iter:   3  12:13:00  -4.13  -2.39  -414.060307    3      1      
iter:   4  12:15:12  -4.92  -3.85  -414.058065    3      1      
iter:   5  12:17:24  -5.39  -3.95  -414.058856    3      1      
iter:   6  12:19:33  -5.45  -4.13  -414.058127    2      1      
iter:   7  12:21:41  -5.68  -4.29  -414.058214    2      1      
iter:   8  12:23:47  -6.03  -4.44  -414.058176    2      1      
iter:   9  12:25:54  -6.37  -4.52  -414.058100    2      1      
iter:  10  12:28:00  -6.53  -4.50  -414.058529    2      1      
iter:  11  12:30:07  -6.77  -4.48  -414.058040    2      1      
iter:  12  12:32:12  -7.32  -4.86  -414.058132    2      1      
iter:  13  12:34:18  -7.53  -5.05  -414.058150    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962367, -32.553725, 0.050771) |e|*Ang

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

Kinetic:        +18.583579
Potential:     -137.025797
External:        +0.000000
XC:            -305.331314
Entropy (-ST):   -1.564969
Local:          +10.497867
--------------------------
Free energy:   -414.840635
Extrapolated:  -414.058150

Fermi level: -6.49193

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56444    0.14972
  0   340     -6.54643    0.14066
  0   341     -6.54514    0.13999
  0   342     -6.51469    0.12370

  1   339     -6.46702    0.19469
  1   340     -6.41834    0.14395
  1   341     -6.38556    0.11404
  1   342     -6.37028    0.10158



Forces in eV/Ang:
  0 O     0.00000   -0.01716    1.17374
  1 Pt    0.00000   -0.00222   -0.37368
  2 Pt    0.00000   -0.01902   -0.43389
  3 O    -1.68377    0.00014   -0.71853
  4 O     1.68377    0.00014   -0.71853
  5 O     0.00000   -0.01229   -1.38512
  6 O     0.00000   -0.00245    1.76633
  7 Pt   -0.00000    0.01393    0.45091
  8 Pt    0.00000   -0.03812    0.75036
  9 O    -1.58093    0.00069    0.05171
 10 O     1.58093    0.00069    0.05171
 11 O     0.00000   -0.00894   -0.56496
 12 O    -0.00000    0.01040    0.13982
 13 Pt   -0.00000    0.26804   -0.03835
 14 Pt    0.00000   -0.01924    0.00789
 15 O    -0.00152    0.00932    0.00330
 16 O     0.00152    0.00932    0.00330
 17 O    -0.00000    0.00920   -0.99957
 18 O    -0.00000    0.00385    0.02450
 19 Pt    0.00000   -0.02467    0.12097
 20 Pt    0.00000   -0.02015    0.17286
 21 O    -0.20615    0.36880    0.21496
 22 O     0.20615    0.36880    0.21496
 23 O     0.00000   -0.01662   -0.08490
 24 O     0.00000   -0.00110    1.14974
 25 Pt   -0.00000    0.01626   -0.37718
 26 Pt    0.00000   -0.00009   -0.43456
 27 O    -1.69242    0.01349   -0.71769
 28 O     1.69242    0.01349   -0.71769
 29 O    -0.00000    0.04716   -1.38525
 30 O     0.00000   -0.00502    1.83110
 31 Pt   -0.00000    0.01909    0.50999
 32 Pt    0.00000   -0.14605    0.57098
 33 O    -1.61472   -0.01916    0.07059
 34 O     1.61472   -0.01916    0.07059
 35 O     0.00000   -0.03243   -0.52368
 36 O    -0.00000    0.20899   -0.10631
 37 Pt    0.00000   -0.30689   -0.03810
 38 Pt    0.00000   -0.00424   -0.01061
 39 O     0.00888    0.01176    0.01506
 40 O    -0.00888    0.01176    0.01506
 41 O     0.00000   -0.00450    0.01635
 42 O    -0.00000    0.02896   -0.01657
 43 Pt    0.00000   -0.00716    0.03819
 44 Pt    0.00000   -0.09587    0.01131
 45 O    -0.13058   -0.35696    0.03300
 46 O     0.13058   -0.35696    0.03300
 47 O     0.00000   -0.02138   -0.05461
 48 O    -0.00000    0.02212    1.17170
 49 Pt    0.00000   -0.02214   -0.37604
 50 Pt   -0.00000    0.02102   -0.43535
 51 O    -1.69171   -0.01395   -0.71811
 52 O     1.69171   -0.01395   -0.71811
 53 O     0.00000   -0.01199   -1.40390
 54 O     0.00000   -0.00177    1.77273
 55 Pt    0.00000   -0.01217    0.51639
 56 Pt   -0.00000    0.12542    0.64854
 57 O    -1.61385    0.01377    0.09217
 58 O     1.61385    0.01377    0.09217
 59 O     0.00000   -0.02114   -0.51518
 60 O     0.00000   -0.20080   -0.10836
 61 Pt   -0.00000    0.01624   -0.08961
 62 Pt   -0.00000    0.01697   -0.00749
 63 O    -0.01547   -0.00692    0.00300
 64 O     0.01547   -0.00692    0.00300
 65 O     0.00000    0.00005   -0.00051
 66 O     0.00000   -0.01173   -0.00271
 67 Pt   -0.00000    0.00778    0.02402
 68 Pt   -0.00000    0.14963    0.01849
 69 O    -0.00680    0.00571   -0.03423
 70 O     0.00680    0.00571   -0.03423
 71 O    -0.00000    0.00747   -0.04968
 72 N     0.00000   -0.34357    0.32875
 73 N    -0.00000    0.33429    0.26468

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.509317   23.977258    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.419838   23.774556    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:48:50  -3.44   +inf  -414.087299    3      1      
iter:   2  12:51:01  -3.53  -2.93  -414.720069    3      1      
iter:   3  12:53:10  -3.78  -2.20  -414.063962    3      1      
iter:   4  12:55:20  -4.65  -3.76  -414.064967    3      1      
iter:   5  12:57:31  -5.18  -4.03  -414.063058    3      1      
iter:   6  12:59:38  -5.31  -4.03  -414.062793    2      1      
iter:   7  13:01:42  -5.60  -4.12  -414.063403    3      1      
iter:   8  13:03:50  -5.74  -4.48  -414.063355    3      1      
iter:   9  13:05:55  -6.55  -4.41  -414.063268    2      1      
iter:  10  13:08:00  -6.42  -4.19  -414.063616    2      1      
iter:  11  13:10:07  -6.60  -4.53  -414.063038    2      1      
iter:  12  13:12:15  -6.73  -4.54  -414.063363    2      1      
iter:  13  13:14:22  -7.28  -4.94  -414.063321    2      1      
iter:  14  13:16:28  -7.14  -5.11  -414.063274    2      1      
iter:  15  13:18:29  -7.50  -4.90  -414.063400    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962377, -32.553361, 0.048409) |e|*Ang

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

Kinetic:        +18.726212
Potential:     -137.156864
External:        +0.000000
XC:            -305.349315
Entropy (-ST):   -1.564849
Local:          +10.498993
--------------------------
Free energy:   -414.845824
Extrapolated:  -414.063400

Fermi level: -6.49232

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56350    0.14906
  0   340     -6.54763    0.14108
  0   341     -6.54645    0.14047
  0   342     -6.51456    0.12342

  1   339     -6.46788    0.19520
  1   340     -6.41930    0.14451
  1   341     -6.38589    0.11400
  1   342     -6.37042    0.10138



Forces in eV/Ang:
  0 O     0.00000   -0.01714    1.17303
  1 Pt    0.00000   -0.00222   -0.37276
  2 Pt    0.00000   -0.01900   -0.43353
  3 O    -1.67936    0.00024   -0.71909
  4 O     1.67936    0.00024   -0.71909
  5 O     0.00000   -0.01228   -1.38697
  6 O     0.00000   -0.00250    1.78161
  7 Pt   -0.00000    0.01386    0.45600
  8 Pt    0.00000   -0.03831    0.75431
  9 O    -1.58050    0.00053    0.05253
 10 O     1.58050    0.00053    0.05253
 11 O     0.00000   -0.00898   -0.56402
 12 O    -0.00000    0.01024    0.14020
 13 Pt   -0.00000    0.26821   -0.03416
 14 Pt    0.00000   -0.01917    0.01163
 15 O    -0.00220    0.00969    0.00398
 16 O     0.00220    0.00969    0.00398
 17 O    -0.00000    0.01006   -0.99315
 18 O    -0.00000    0.00354    0.02368
 19 Pt    0.00000   -0.02383    0.12261
 20 Pt    0.00000   -0.02548    0.16583
 21 O    -0.20763    0.37000    0.21627
 22 O     0.20763    0.37000    0.21627
 23 O     0.00000   -0.01699   -0.08735
 24 O     0.00000   -0.00118    1.14903
 25 Pt   -0.00000    0.01628   -0.37630
 26 Pt    0.00000   -0.00021   -0.43398
 27 O    -1.68803    0.01341   -0.71827
 28 O     1.68803    0.01341   -0.71827
 29 O    -0.00000    0.04717   -1.38682
 30 O     0.00000   -0.00471    1.84706
 31 Pt   -0.00000    0.01915    0.51516
 32 Pt    0.00000   -0.14556    0.57477
 33 O    -1.61421   -0.01903    0.07146
 34 O     1.61421   -0.01903    0.07146
 35 O     0.00000   -0.03235   -0.52289
 36 O    -0.00000    0.20921   -0.10631
 37 Pt    0.00000   -0.30709   -0.03425
 38 Pt    0.00000   -0.00478   -0.00736
 39 O     0.00822    0.01150    0.01588
 40 O    -0.00822    0.01150    0.01588
 41 O     0.00000   -0.00440    0.02999
 42 O    -0.00000    0.02898   -0.01748
 43 Pt    0.00000   -0.00753    0.04015
 44 Pt    0.00000   -0.09400    0.00889
 45 O    -0.13377   -0.35828    0.03888
 46 O     0.13377   -0.35828    0.03888
 47 O     0.00000   -0.02126   -0.05654
 48 O    -0.00000    0.02218    1.17100
 49 Pt    0.00000   -0.02216   -0.37492
 50 Pt   -0.00000    0.02112   -0.43473
 51 O    -1.68719   -0.01398   -0.71865
 52 O     1.68719   -0.01398   -0.71865
 53 O     0.00000   -0.01202   -1.40534
 54 O     0.00000   -0.00200    1.78894
 55 Pt    0.00000   -0.01215    0.52135
 56 Pt   -0.00000    0.12514    0.65216
 57 O    -1.61352    0.01383    0.09292
 58 O     1.61352    0.01383    0.09292
 59 O     0.00000   -0.02122   -0.51449
 60 O     0.00000   -0.20073   -0.10839
 61 Pt   -0.00000    0.01608   -0.08521
 62 Pt   -0.00000    0.01745   -0.00419
 63 O    -0.01583   -0.00707    0.00348
 64 O     0.01583   -0.00707    0.00348
 65 O     0.00000    0.00001    0.01539
 66 O     0.00000   -0.01144   -0.00371
 67 Pt   -0.00000    0.00743    0.02593
 68 Pt   -0.00000    0.15026    0.02052
 69 O    -0.00914    0.00531   -0.03273
 70 O     0.00914    0.00531   -0.03273
 71 O    -0.00000    0.00775   -0.05078
 72 N     0.00000   -0.22953    0.30659
 73 N    -0.00000    0.26921    0.27374

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.501745   23.986256    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.412535   23.781790    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:28:48  -3.23   +inf  -414.660408    2      1      
iter:   2  13:30:56  -2.15  -2.22  -427.902013    33     1      
iter:   3  13:33:05  -2.61  -1.60  -414.358352    4      1      
iter:   4  13:35:16  -2.93  -2.39  -414.088211    3      1      
iter:   5  13:37:21  -3.62  -3.21  -414.072261    3      1      
iter:   6  13:39:31  -4.21  -3.51  -414.071557    3      1      
iter:   7  13:41:41  -4.50  -3.60  -414.068094    3      1      
iter:   8  13:43:53  -5.02  -3.94  -414.068575    2      1      
iter:   9  13:46:05  -5.48  -4.00  -414.068373    2      1      
iter:  10  13:48:15  -5.64  -3.95  -414.068738    2      1      
iter:  11  13:50:25  -6.12  -4.09  -414.067436    3      1      
iter:  12  13:52:34  -6.20  -4.03  -414.068344    2      1      
iter:  13  13:54:45  -6.21  -4.02  -414.068012    2      1      
iter:  14  13:56:54  -6.44  -4.32  -414.067804    2      1      
iter:  15  13:59:04  -6.70  -4.61  -414.067852    2      1      
iter:  16  14:01:16  -7.32  -4.82  -414.067848    2      1      
iter:  17  14:03:15  -7.51  -4.79  -414.067922    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962434, -32.553484, 0.050054) |e|*Ang

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

Kinetic:        +18.665831
Potential:     -137.119379
External:        +0.000000
XC:            -305.330514
Entropy (-ST):   -1.564959
Local:          +10.498619
--------------------------
Free energy:   -414.850402
Extrapolated:  -414.067922

Fermi level: -6.49232

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56416    0.14939
  0   340     -6.54699    0.14075
  0   341     -6.54574    0.14010
  0   342     -6.51488    0.12359

  1   339     -6.46744    0.19472
  1   340     -6.41885    0.14407
  1   341     -6.38571    0.11384
  1   342     -6.37058    0.10151



Forces in eV/Ang:
  0 O     0.00000   -0.01710    1.17301
  1 Pt    0.00000   -0.00225   -0.37379
  2 Pt    0.00000   -0.01899   -0.43431
  3 O    -1.68205    0.00025   -0.71882
  4 O     1.68205    0.00025   -0.71882
  5 O     0.00000   -0.01223   -1.38641
  6 O     0.00000   -0.00254    1.76867
  7 Pt   -0.00000    0.01382    0.45094
  8 Pt    0.00000   -0.03840    0.75091
  9 O    -1.58014    0.00047    0.05162
 10 O     1.58014    0.00047    0.05162
 11 O     0.00000   -0.00896   -0.56569
 12 O    -0.00000    0.01034    0.13879
 13 Pt   -0.00000    0.26879   -0.03734
 14 Pt    0.00000   -0.01917    0.00879
 15 O    -0.00092    0.00961    0.00332
 16 O     0.00092    0.00961    0.00332
 17 O    -0.00000    0.01069   -1.00417
 18 O    -0.00000    0.00350    0.02419
 19 Pt    0.00000   -0.02427    0.12161
 20 Pt    0.00000   -0.02770    0.16588
 21 O    -0.20629    0.36920    0.21762
 22 O     0.20629    0.36920    0.21762
 23 O     0.00000   -0.01692   -0.08610
 24 O     0.00000   -0.00118    1.14907
 25 Pt   -0.00000    0.01633   -0.37730
 26 Pt    0.00000   -0.00022   -0.43473
 27 O    -1.69071    0.01337   -0.71801
 28 O     1.69071    0.01337   -0.71801
 29 O    -0.00000    0.04713   -1.38633
 30 O     0.00000   -0.00471    1.83423
 31 Pt   -0.00000    0.01919    0.51011
 32 Pt    0.00000   -0.14536    0.57140
 33 O    -1.61382   -0.01901    0.07055
 34 O     1.61382   -0.01901    0.07055
 35 O     0.00000   -0.03235   -0.52467
 36 O    -0.00000    0.20948   -0.10803
 37 Pt    0.00000   -0.30769   -0.03735
 38 Pt    0.00000   -0.00488   -0.01015
 39 O     0.00949    0.01158    0.01509
 40 O    -0.00949    0.01158    0.01509
 41 O     0.00000   -0.00452    0.01808
 42 O    -0.00000    0.02888   -0.01694
 43 Pt    0.00000   -0.00714    0.04085
 44 Pt    0.00000   -0.09395    0.00881
 45 O    -0.13476   -0.35777    0.04525
 46 O     0.13476   -0.35777    0.04525
 47 O     0.00000   -0.02155   -0.05536
 48 O    -0.00000    0.02214    1.17102
 49 Pt    0.00000   -0.02218   -0.37590
 50 Pt   -0.00000    0.02113   -0.43550
 51 O    -1.68988   -0.01394   -0.71838
 52 O     1.68988   -0.01394   -0.71838
 53 O     0.00000   -0.01204   -1.40479
 54 O     0.00000   -0.00199    1.77611
 55 Pt    0.00000   -0.01215    0.51622
 56 Pt   -0.00000    0.12505    0.64867
 57 O    -1.61318    0.01385    0.09197
 58 O     1.61318    0.01385    0.09197
 59 O     0.00000   -0.02122   -0.51629
 60 O     0.00000   -0.20109   -0.10997
 61 Pt   -0.00000    0.01590   -0.08851
 62 Pt   -0.00000    0.01754   -0.00694
 63 O    -0.01471   -0.00704    0.00276
 64 O     0.01471   -0.00704    0.00276
 65 O     0.00000    0.00018    0.00364
 66 O     0.00000   -0.01129   -0.00321
 67 Pt   -0.00000    0.00752    0.02517
 68 Pt   -0.00000    0.15028    0.01933
 69 O    -0.00790    0.00510   -0.03157
 70 O     0.00790    0.00510   -0.03157
 71 O    -0.00000    0.00795   -0.04981
 72 N     0.00000   -0.33527    0.21771
 73 N    -0.00000    0.29060    0.25978

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.494533   23.994594    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.406424   23.789369    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:07:55  -3.44   +inf  -414.075795    3      1      
iter:   2  14:10:06  -4.10  -3.30  -414.185021    2      1      
iter:   3  14:12:14  -4.32  -2.58  -414.073736    2      1      
iter:   4  14:14:22  -4.97  -4.00  -414.073545    2      1      
iter:   5  14:16:29  -5.05  -4.03  -414.072426    3      1      
iter:   6  14:18:40  -5.48  -4.07  -414.073543    2      1      
iter:   7  14:20:52  -6.10  -4.31  -414.073055    2      1      
iter:   8  14:23:02  -6.20  -4.41  -414.073248    2      1      
iter:   9  14:25:06  -6.67  -4.53  -414.073230    2      1      
iter:  10  14:27:13  -6.49  -4.07  -414.073211    2      1      
iter:  11  14:29:19  -6.86  -4.60  -414.073201    2      1      
iter:  12  14:31:23  -7.24  -4.98  -414.073104    2      1      
iter:  13  14:33:30  -7.60  -4.98  -414.073287    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962412, -32.552994, 0.050059) |e|*Ang

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

Kinetic:        +18.816876
Potential:     -137.251724
External:        +0.000000
XC:            -305.355980
Entropy (-ST):   -1.564875
Local:          +10.499979
--------------------------
Free energy:   -414.855724
Extrapolated:  -414.073287

Fermi level: -6.49250

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56437    0.14941
  0   340     -6.54703    0.14068
  0   341     -6.54577    0.14002
  0   342     -6.51516    0.12365

  1   339     -6.46740    0.19449
  1   340     -6.41893    0.14398
  1   341     -6.38578    0.11375
  1   342     -6.37073    0.10149



Forces in eV/Ang:
  0 O     0.00000   -0.01715    1.17405
  1 Pt    0.00000   -0.00226   -0.37447
  2 Pt    0.00000   -0.01897   -0.43392
  3 O    -1.68342    0.00024   -0.71878
  4 O     1.68342    0.00024   -0.71878
  5 O     0.00000   -0.01222   -1.38655
  6 O     0.00000   -0.00254    1.76605
  7 Pt   -0.00000    0.01387    0.44957
  8 Pt    0.00000   -0.03851    0.75019
  9 O    -1.57970    0.00058    0.05133
 10 O     1.57970    0.00058    0.05133
 11 O     0.00000   -0.00898   -0.56638
 12 O    -0.00000    0.01027    0.13935
 13 Pt   -0.00000    0.26902   -0.03803
 14 Pt    0.00000   -0.01924    0.00897
 15 O    -0.00036    0.00952    0.00348
 16 O     0.00036    0.00952    0.00348
 17 O    -0.00000    0.01136   -1.00618
 18 O    -0.00000    0.00350    0.02468
 19 Pt    0.00000   -0.02469    0.12157
 20 Pt    0.00000   -0.03110    0.16312
 21 O    -0.20648    0.37032    0.21667
 22 O     0.20648    0.37032    0.21667
 23 O     0.00000   -0.01705   -0.08660
 24 O     0.00000   -0.00113    1.15008
 25 Pt   -0.00000    0.01635   -0.37798
 26 Pt    0.00000   -0.00019   -0.43446
 27 O    -1.69210    0.01342   -0.71797
 28 O     1.69210    0.01342   -0.71797
 29 O    -0.00000    0.04705   -1.38669
 30 O     0.00000   -0.00479    1.83133
 31 Pt   -0.00000    0.01911    0.50875
 32 Pt    0.00000   -0.14529    0.57094
 33 O    -1.61334   -0.01912    0.07025
 34 O     1.61334   -0.01912    0.07025
 35 O     0.00000   -0.03237   -0.52527
 36 O    -0.00000    0.20980   -0.10735
 37 Pt    0.00000   -0.30787   -0.03799
 38 Pt    0.00000   -0.00452   -0.00958
 39 O     0.01015    0.01172    0.01524
 40 O    -0.01015    0.01172    0.01524
 41 O     0.00000   -0.00423    0.01566
 42 O    -0.00000    0.02898   -0.01638
 43 Pt    0.00000   -0.00659    0.04188
 44 Pt    0.00000   -0.09317    0.00737
 45 O    -0.13794   -0.35921    0.05109
 46 O     0.13794   -0.35921    0.05109
 47 O     0.00000   -0.02126   -0.05612
 48 O    -0.00000    0.02214    1.17204
 49 Pt    0.00000   -0.02218   -0.37670
 50 Pt   -0.00000    0.02108   -0.43523
 51 O    -1.69127   -0.01398   -0.71834
 52 O     1.69127   -0.01398   -0.71834
 53 O     0.00000   -0.01199   -1.40506
 54 O     0.00000   -0.00191    1.77337
 55 Pt    0.00000   -0.01212    0.51496
 56 Pt   -0.00000    0.12512    0.64815
 57 O    -1.61267    0.01385    0.09169
 58 O     1.61267    0.01385    0.09169
 59 O     0.00000   -0.02118   -0.51683
 60 O     0.00000   -0.20129   -0.10922
 61 Pt   -0.00000    0.01567   -0.08907
 62 Pt   -0.00000    0.01725   -0.00648
 63 O    -0.01416   -0.00708    0.00309
 64 O     0.01416   -0.00708    0.00309
 65 O     0.00000   -0.00001    0.00111
 66 O     0.00000   -0.01138   -0.00254
 67 Pt   -0.00000    0.00749    0.02478
 68 Pt   -0.00000    0.15038    0.01896
 69 O    -0.00722    0.00460   -0.03262
 70 O     0.00722    0.00460   -0.03262
 71 O    -0.00000    0.00781   -0.05025
 72 N     0.00000   -0.25861    0.34158
 73 N    -0.00000    0.17012    0.17516

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.487295   24.005355    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.399626   23.796988    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:47:01  -3.33   +inf  -414.078986    2      1      
iter:   2  14:49:10  -4.02  -3.27  -414.164227    3      1      
iter:   3  14:51:16  -4.35  -2.65  -414.088272    3      1      
iter:   4  14:53:20  -4.88  -3.32  -414.079649    3      1      
iter:   5  14:55:27  -5.20  -4.08  -414.078986    3      1      
iter:   6  14:57:34  -5.27  -4.22  -414.079100    3      1      
iter:   7  14:59:37  -5.74  -4.05  -414.079073    2      1      
iter:   8  15:02:04  -6.06  -4.59  -414.079194    2      1      
iter:   9  15:04:10  -6.16  -4.72  -414.079190    2      1      
iter:  10  15:06:18  -6.49  -4.59  -414.079059    2      1      
iter:  11  15:08:22  -6.98  -4.92  -414.079193    2      1      
iter:  12  15:10:29  -7.63  -4.95  -414.079002    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962437, -32.553012, 0.049935) |e|*Ang

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

Kinetic:        +18.752437
Potential:     -137.210176
External:        +0.000000
XC:            -305.337745
Entropy (-ST):   -1.565340
Local:          +10.499154
--------------------------
Free energy:   -414.861672
Extrapolated:  -414.079002

Fermi level: -6.49214

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56391    0.14936
  0   340     -6.54669    0.14069
  0   341     -6.54544    0.14004
  0   342     -6.51491    0.12371

  1   339     -6.46731    0.19478
  1   340     -6.41851    0.14392
  1   341     -6.38541    0.11374
  1   342     -6.37053    0.10161



Forces in eV/Ang:
  0 O     0.00000   -0.01719    1.17412
  1 Pt    0.00000   -0.00224   -0.37281
  2 Pt    0.00000   -0.01899   -0.43263
  3 O    -1.68248    0.00022   -0.71833
  4 O     1.68248    0.00022   -0.71833
  5 O     0.00000   -0.01217   -1.38560
  6 O     0.00000   -0.00254    1.77035
  7 Pt   -0.00000    0.01387    0.45203
  8 Pt    0.00000   -0.03854    0.75184
  9 O    -1.58068    0.00058    0.05197
 10 O     1.58068    0.00058    0.05197
 11 O     0.00000   -0.00897   -0.56592
 12 O    -0.00000    0.01020    0.13919
 13 Pt   -0.00000    0.26975   -0.03908
 14 Pt    0.00000   -0.01933    0.00760
 15 O    -0.00127    0.00956    0.00306
 16 O     0.00127    0.00956    0.00306
 17 O    -0.00000    0.01163   -1.00831
 18 O    -0.00000    0.00339    0.02418
 19 Pt    0.00000   -0.02480    0.11935
 20 Pt    0.00000   -0.03038    0.16732
 21 O    -0.20643    0.37078    0.21593
 22 O     0.20643    0.37078    0.21593
 23 O     0.00000   -0.01653   -0.08657
 24 O     0.00000   -0.00111    1.15009
 25 Pt   -0.00000    0.01634   -0.37628
 26 Pt    0.00000   -0.00019   -0.43320
 27 O    -1.69115    0.01344   -0.71752
 28 O     1.69115    0.01344   -0.71752
 29 O    -0.00000    0.04695   -1.38585
 30 O     0.00000   -0.00486    1.83564
 31 Pt   -0.00000    0.01914    0.51120
 32 Pt    0.00000   -0.14520    0.57294
 33 O    -1.61433   -0.01912    0.07089
 34 O     1.61433   -0.01912    0.07089
 35 O     0.00000   -0.03240   -0.52463
 36 O    -0.00000    0.21037   -0.10795
 37 Pt    0.00000   -0.30863   -0.03930
 38 Pt    0.00000   -0.00422   -0.01120
 39 O     0.00922    0.01169    0.01488
 40 O    -0.00922    0.01169    0.01488
 41 O     0.00000   -0.00395    0.01330
 42 O    -0.00000    0.02931   -0.01692
 43 Pt    0.00000   -0.00662    0.04354
 44 Pt    0.00000   -0.09496    0.01154
 45 O    -0.14243   -0.36012    0.06010
 46 O     0.14243   -0.36012    0.06010
 47 O     0.00000   -0.02154   -0.05606
 48 O    -0.00000    0.02216    1.17206
 49 Pt    0.00000   -0.02219   -0.37508
 50 Pt   -0.00000    0.02109   -0.43402
 51 O    -1.69035   -0.01398   -0.71791
 52 O     1.69035   -0.01398   -0.71791
 53 O     0.00000   -0.01194   -1.40419
 54 O     0.00000   -0.00185    1.77763
 55 Pt    0.00000   -0.01214    0.51754
 56 Pt   -0.00000    0.12508    0.65017
 57 O    -1.61364    0.01384    0.09238
 58 O     1.61364    0.01384    0.09238
 59 O     0.00000   -0.02117   -0.51616
 60 O     0.00000   -0.20176   -0.10945
 61 Pt   -0.00000    0.01555   -0.09075
 62 Pt   -0.00000    0.01706   -0.00786
 63 O    -0.01529   -0.00709    0.00269
 64 O     0.01529   -0.00709    0.00269
 65 O     0.00000    0.00006   -0.00102
 66 O     0.00000   -0.01159   -0.00314
 67 Pt   -0.00000    0.00755    0.02286
 68 Pt   -0.00000    0.15024    0.01653
 69 O    -0.00717    0.00424   -0.03297
 70 O     0.00717    0.00424   -0.03297
 71 O    -0.00000    0.00757   -0.05101
 72 N     0.00000   -0.16790    0.27844
 73 N    -0.00000    0.20021    0.18613

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.480482   24.016362    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.393335   23.804832    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:29:19  -3.34   +inf  -414.090650    3      1      
iter:   2  15:31:30  -4.21  -3.46  -414.081769    3      1      
iter:   3  15:33:39  -4.72  -3.35  -414.085318    3      1      
iter:   4  15:35:49  -5.19  -4.04  -414.086763    2      1      
iter:   5  15:38:00  -5.23  -3.52  -414.084739    3      1      
iter:   6  15:40:11  -5.39  -3.98  -414.084806    2      1      
iter:   7  15:42:21  -5.75  -4.37  -414.084877    2      1      
iter:   8  15:44:32  -6.14  -4.43  -414.084953    2      1      
iter:   9  15:46:41  -6.41  -4.59  -414.084489    2      1      
iter:  10  15:48:51  -6.73  -4.56  -414.084854    2      1      
iter:  11  15:51:02  -7.33  -4.89  -414.084758    2      1      
iter:  12  15:53:11  -7.91  -4.88  -414.084808    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962460, -32.552828, 0.048663) |e|*Ang

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

Kinetic:        +18.712364
Potential:     -137.190705
External:        +0.000000
XC:            -305.323032
Entropy (-ST):   -1.565126
Local:          +10.499128
--------------------------
Free energy:   -414.867371
Extrapolated:  -414.084808

Fermi level: -6.49278

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56392    0.14905
  0   340     -6.54763    0.14084
  0   341     -6.54643    0.14023
  0   342     -6.51533    0.12359

  1   339     -6.46802    0.19486
  1   340     -6.41940    0.14416
  1   341     -6.38593    0.11364
  1   342     -6.37142    0.10181



Forces in eV/Ang:
  0 O     0.00000   -0.01719    1.17365
  1 Pt    0.00000   -0.00227   -0.37348
  2 Pt    0.00000   -0.01900   -0.43337
  3 O    -1.68156    0.00022   -0.71886
  4 O     1.68156    0.00022   -0.71886
  5 O     0.00000   -0.01213   -1.38677
  6 O     0.00000   -0.00251    1.77335
  7 Pt   -0.00000    0.01387    0.45284
  8 Pt    0.00000   -0.03862    0.75259
  9 O    -1.58069    0.00055    0.05173
 10 O     1.58069    0.00055    0.05173
 11 O     0.00000   -0.00895   -0.56540
 12 O    -0.00000    0.01002    0.13881
 13 Pt   -0.00000    0.27030   -0.03672
 14 Pt    0.00000   -0.01938    0.00964
 15 O    -0.00162    0.00968    0.00358
 16 O     0.00162    0.00968    0.00358
 17 O    -0.00000    0.01211   -1.00514
 18 O    -0.00000    0.00314    0.02444
 19 Pt    0.00000   -0.02441    0.12104
 20 Pt    0.00000   -0.03234    0.16801
 21 O    -0.20742    0.37180    0.21658
 22 O     0.20742    0.37180    0.21658
 23 O     0.00000   -0.01629   -0.08709
 24 O     0.00000   -0.00112    1.14965
 25 Pt   -0.00000    0.01638   -0.37690
 26 Pt    0.00000   -0.00020   -0.43388
 27 O    -1.69021    0.01342   -0.71805
 28 O     1.69021    0.01342   -0.71805
 29 O    -0.00000    0.04690   -1.38700
 30 O     0.00000   -0.00483    1.83874
 31 Pt   -0.00000    0.01916    0.51207
 32 Pt    0.00000   -0.14499    0.57370
 33 O    -1.61431   -0.01905    0.07067
 34 O     1.61431   -0.01905    0.07067
 35 O     0.00000   -0.03243   -0.52424
 36 O    -0.00000    0.21074   -0.10878
 37 Pt    0.00000   -0.30907   -0.03724
 38 Pt    0.00000   -0.00440   -0.00935
 39 O     0.00889    0.01161    0.01545
 40 O    -0.00889    0.01161    0.01545
 41 O     0.00000   -0.00385    0.02012
 42 O    -0.00000    0.02950   -0.01681
 43 Pt    0.00000   -0.00682    0.04751
 44 Pt    0.00000   -0.09485    0.01420
 45 O    -0.14649   -0.36142    0.06817
 46 O     0.14649   -0.36142    0.06817
 47 O     0.00000   -0.02178   -0.05628
 48 O    -0.00000    0.02216    1.17160
 49 Pt    0.00000   -0.02221   -0.37571
 50 Pt   -0.00000    0.02110   -0.43476
 51 O    -1.68942   -0.01396   -0.71844
 52 O     1.68942   -0.01396   -0.71844
 53 O     0.00000   -0.01193   -1.40529
 54 O     0.00000   -0.00189    1.78071
 55 Pt    0.00000   -0.01216    0.51828
 56 Pt   -0.00000    0.12496    0.65084
 57 O    -1.61369    0.01380    0.09205
 58 O     1.61369    0.01380    0.09205
 59 O     0.00000   -0.02117   -0.51581
 60 O     0.00000   -0.20191   -0.11012
 61 Pt   -0.00000    0.01535   -0.08848
 62 Pt   -0.00000    0.01728   -0.00592
 63 O    -0.01556   -0.00714    0.00313
 64 O     0.01556   -0.00714    0.00313
 65 O     0.00000    0.00009    0.00691
 66 O     0.00000   -0.01153   -0.00319
 67 Pt   -0.00000    0.00737    0.02458
 68 Pt   -0.00000    0.15058    0.01806
 69 O    -0.00839    0.00385   -0.03234
 70 O     0.00839    0.00385   -0.03234
 71 O    -0.00000    0.00762   -0.05127
 72 N     0.00000   -0.20195    0.27113
 73 N    -0.00000    0.18067    0.25816

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.473769   24.027368    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.387017   23.814462    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:05:06  -3.26   +inf  -414.193101    3      1      
iter:   2  16:07:16  -2.88  -2.58  -417.107684    3      1      
iter:   3  16:09:27  -3.30  -1.89  -414.125243    3      1      
iter:   4  16:11:37  -3.78  -2.86  -414.096043    3      1      
iter:   5  16:13:48  -4.37  -3.60  -414.092389    3      1      
iter:   6  16:15:57  -4.69  -3.78  -414.090942    2      1      
iter:   7  16:18:08  -5.11  -4.20  -414.090958    2      1      
iter:   8  16:20:20  -5.67  -3.95  -414.091285    3      1      
iter:   9  16:22:32  -5.88  -4.27  -414.091094    2      1      
iter:  10  16:24:43  -6.06  -4.55  -414.091117    2      1      
iter:  11  16:26:53  -6.31  -4.66  -414.090747    2      1      
iter:  12  16:29:03  -7.04  -4.60  -414.091033    2      1      
iter:  13  16:31:14  -7.31  -4.89  -414.090993    2      1      
iter:  14  16:33:24  -7.44  -4.89  -414.091033    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962418, -32.552428, 0.047993) |e|*Ang

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

Kinetic:        +18.712207
Potential:     -137.207250
External:        +0.000000
XC:            -305.312720
Entropy (-ST):   -1.565127
Local:          +10.499293
--------------------------
Free energy:   -414.873596
Extrapolated:  -414.091033

Fermi level: -6.49347

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56441    0.14895
  0   340     -6.54828    0.14082
  0   341     -6.54710    0.14021
  0   342     -6.51602    0.12359

  1   339     -6.46864    0.19478
  1   340     -6.42009    0.14416
  1   341     -6.38649    0.11353
  1   342     -6.37246    0.10209



Forces in eV/Ang:
  0 O     0.00000   -0.01720    1.17373
  1 Pt    0.00000   -0.00228   -0.37394
  2 Pt    0.00000   -0.01901   -0.43423
  3 O    -1.68152    0.00022   -0.71894
  4 O     1.68152    0.00022   -0.71894
  5 O     0.00000   -0.01210   -1.38726
  6 O     0.00000   -0.00251    1.77207
  7 Pt   -0.00000    0.01389    0.45229
  8 Pt    0.00000   -0.03871    0.75258
  9 O    -1.58041    0.00055    0.05152
 10 O     1.58041    0.00055    0.05152
 11 O     0.00000   -0.00894   -0.56598
 12 O    -0.00000    0.00989    0.13794
 13 Pt   -0.00000    0.27085   -0.03711
 14 Pt    0.00000   -0.01940    0.00914
 15 O    -0.00130    0.00978    0.00333
 16 O     0.00130    0.00978    0.00333
 17 O    -0.00000    0.01278   -1.00847
 18 O    -0.00000    0.00309    0.02350
 19 Pt    0.00000   -0.02438    0.12259
 20 Pt    0.00000   -0.03689    0.16323
 21 O    -0.20776    0.37240    0.21689
 22 O     0.20776    0.37240    0.21689
 23 O     0.00000   -0.01670   -0.08677
 24 O     0.00000   -0.00111    1.14972
 25 Pt   -0.00000    0.01641   -0.37733
 26 Pt    0.00000   -0.00017   -0.43473
 27 O    -1.69016    0.01341   -0.71814
 28 O     1.69016    0.01341   -0.71814
 29 O    -0.00000    0.04686   -1.38751
 30 O     0.00000   -0.00476    1.83743
 31 Pt   -0.00000    0.01914    0.51151
 32 Pt    0.00000   -0.14475    0.57388
 33 O    -1.61401   -0.01905    0.07045
 34 O     1.61401   -0.01905    0.07045
 35 O     0.00000   -0.03238   -0.52481
 36 O    -0.00000    0.21120   -0.10985
 37 Pt    0.00000   -0.30965   -0.03770
 38 Pt    0.00000   -0.00446   -0.00989
 39 O     0.00923    0.01153    0.01527
 40 O    -0.00923    0.01153    0.01527
 41 O     0.00000   -0.00377    0.01945
 42 O    -0.00000    0.02958   -0.01781
 43 Pt    0.00000   -0.00679    0.04946
 44 Pt    0.00000   -0.09295    0.01218
 45 O    -0.14821   -0.36246    0.07215
 46 O     0.14821   -0.36246    0.07215
 47 O     0.00000   -0.02159   -0.05589
 48 O    -0.00000    0.02216    1.17168
 49 Pt    0.00000   -0.02222   -0.37612
 50 Pt   -0.00000    0.02109   -0.43565
 51 O    -1.68938   -0.01394   -0.71850
 52 O     1.68938   -0.01394   -0.71850
 53 O     0.00000   -0.01193   -1.40576
 54 O     0.00000   -0.00197    1.77937
 55 Pt    0.00000   -0.01217    0.51764
 56 Pt   -0.00000    0.12482    0.65092
 57 O    -1.61341    0.01380    0.09181
 58 O     1.61341    0.01380    0.09181
 59 O     0.00000   -0.02123   -0.51633
 60 O     0.00000   -0.20218   -0.11106
 61 Pt   -0.00000    0.01526   -0.08888
 62 Pt   -0.00000    0.01737   -0.00648
 63 O    -0.01515   -0.00716    0.00282
 64 O     0.01515   -0.00716    0.00282
 65 O     0.00000    0.00010    0.00715
 66 O     0.00000   -0.01152   -0.00424
 67 Pt   -0.00000    0.00739    0.02608
 68 Pt   -0.00000    0.15079    0.01956
 69 O    -0.00873    0.00366   -0.03232
 70 O     0.00873    0.00366   -0.03232
 71 O    -0.00000    0.00778   -0.05059
 72 N     0.00000   -0.15698    0.23704
 73 N    -0.00000    0.15667    0.25020

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.467387   24.038490    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.380723   23.825344    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:41:12  -3.23   +inf  -414.197828    3      1      
iter:   2  16:43:22  -2.88  -2.58  -417.129210    3      1      
iter:   3  16:45:33  -3.25  -1.89  -414.129714    3      1      
iter:   4  16:47:42  -3.72  -2.87  -414.101445    3      1      
iter:   5  16:49:51  -4.31  -3.63  -414.097914    3      1      
iter:   6  16:52:02  -4.67  -3.77  -414.096627    2      1      
iter:   7  16:54:10  -5.09  -4.21  -414.096589    2      1      
iter:   8  16:56:14  -5.63  -4.00  -414.096928    3      1      
iter:   9  16:58:21  -5.86  -4.20  -414.096740    2      1      
iter:  10  17:00:28  -6.02  -4.51  -414.096683    2      1      
iter:  11  17:02:33  -6.40  -4.69  -414.096566    2      1      
iter:  12  17:04:39  -7.05  -4.78  -414.096791    2      1      
iter:  13  17:06:46  -7.23  -4.78  -414.096608    2      1      
iter:  14  17:08:52  -7.30  -4.79  -414.096609    2      1      
iter:  15  17:11:00  -7.47  -4.59  -414.096678    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962470, -32.551674, 0.047464) |e|*Ang

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

Kinetic:        +18.683133
Potential:     -137.197376
External:        +0.000000
XC:            -305.299226
Entropy (-ST):   -1.565159
Local:          +10.499371
--------------------------
Free energy:   -414.879257
Extrapolated:  -414.096678

Fermi level: -6.49410

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56490    0.14888
  0   340     -6.54887    0.14080
  0   341     -6.54770    0.14019
  0   342     -6.51670    0.12361

  1   339     -6.46917    0.19467
  1   340     -6.42068    0.14412
  1   341     -6.38702    0.11344
  1   342     -6.37350    0.10241



Forces in eV/Ang:
  0 O     0.00000   -0.01721    1.17362
  1 Pt    0.00000   -0.00229   -0.37412
  2 Pt    0.00000   -0.01901   -0.43422
  3 O    -1.68188    0.00024   -0.71895
  4 O     1.68188    0.00024   -0.71895
  5 O     0.00000   -0.01208   -1.38694
  6 O     0.00000   -0.00255    1.77167
  7 Pt   -0.00000    0.01389    0.45230
  8 Pt    0.00000   -0.03882    0.75258
  9 O    -1.58039    0.00054    0.05183
 10 O     1.58039    0.00054    0.05183
 11 O     0.00000   -0.00893   -0.56573
 12 O    -0.00000    0.00987    0.13814
 13 Pt   -0.00000    0.27182   -0.03708
 14 Pt    0.00000   -0.01941    0.00923
 15 O    -0.00119    0.00987    0.00353
 16 O     0.00119    0.00987    0.00353
 17 O    -0.00000    0.01349   -1.01272
 18 O    -0.00000    0.00299    0.02376
 19 Pt    0.00000   -0.02434    0.12312
 20 Pt    0.00000   -0.04018    0.16147
 21 O    -0.20810    0.37314    0.21751
 22 O     0.20810    0.37314    0.21751
 23 O     0.00000   -0.01676   -0.08675
 24 O     0.00000   -0.00111    1.14961
 25 Pt   -0.00000    0.01644   -0.37750
 26 Pt    0.00000   -0.00019   -0.43470
 27 O    -1.69053    0.01340   -0.71816
 28 O     1.69053    0.01340   -0.71816
 29 O    -0.00000    0.04680   -1.38726
 30 O     0.00000   -0.00468    1.83713
 31 Pt   -0.00000    0.01914    0.51155
 32 Pt    0.00000   -0.14444    0.57407
 33 O    -1.61395   -0.01905    0.07078
 34 O     1.61395   -0.01905    0.07078
 35 O     0.00000   -0.03236   -0.52460
 36 O    -0.00000    0.21184   -0.11018
 37 Pt    0.00000   -0.31068   -0.03776
 38 Pt    0.00000   -0.00451   -0.00987
 39 O     0.00934    0.01149    0.01551
 40 O    -0.00934    0.01149    0.01551
 41 O     0.00000   -0.00364    0.01857
 42 O    -0.00000    0.02978   -0.01765
 43 Pt    0.00000   -0.00673    0.05151
 44 Pt    0.00000   -0.09228    0.01167
 45 O    -0.15099   -0.36387    0.07861
 46 O     0.15099   -0.36387    0.07861
 47 O     0.00000   -0.02158   -0.05590
 48 O    -0.00000    0.02218    1.17158
 49 Pt    0.00000   -0.02224   -0.37627
 50 Pt   -0.00000    0.02111   -0.43562
 51 O    -1.68974   -0.01395   -0.71851
 52 O     1.68974   -0.01395   -0.71851
 53 O     0.00000   -0.01191   -1.40544
 54 O     0.00000   -0.00201    1.77912
 55 Pt    0.00000   -0.01217    0.51763
 56 Pt   -0.00000    0.12464    0.65101
 57 O    -1.61341    0.01381    0.09209
 58 O     1.61341    0.01381    0.09209
 59 O     0.00000   -0.02125   -0.51613
 60 O     0.00000   -0.20276   -0.11124
 61 Pt   -0.00000    0.01516   -0.08913
 62 Pt   -0.00000    0.01742   -0.00642
 63 O    -0.01503   -0.00720    0.00302
 64 O     0.01503   -0.00720    0.00302
 65 O     0.00000    0.00012    0.00684
 66 O     0.00000   -0.01161   -0.00411
 67 Pt   -0.00000    0.00736    0.02633
 68 Pt   -0.00000    0.15097    0.01979
 69 O    -0.00893    0.00341   -0.03186
 70 O     0.00893    0.00341   -0.03186
 71 O    -0.00000    0.00783   -0.05056
 72 N     0.00000   -0.15009    0.28050
 73 N    -0.00000    0.19461    0.19349

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    3.459468   24.052049    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.372747   23.837214    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:17:02  -3.11   +inf  -414.180174    2      1      
iter:   2  17:19:11  -2.97  -2.63  -416.517243    3      1      
iter:   3  17:21:21  -3.33  -1.93  -414.126564    3      1      
iter:   4  17:23:33  -3.84  -2.96  -414.107197    3      1      
iter:   5  17:25:42  -4.38  -3.71  -414.104190    3      1      
iter:   6  17:27:52  -4.66  -3.78  -414.103258    3      1      
iter:   7  17:30:02  -5.08  -4.04  -414.103250    2      1      
iter:   8  17:32:12  -5.54  -4.00  -414.103596    3      1      
iter:   9  17:34:23  -5.95  -4.25  -414.103436    2      1      
iter:  10  17:36:36  -6.11  -4.40  -414.103313    2      1      
iter:  11  17:38:44  -6.31  -4.52  -414.103505    2      1      
iter:  12  17:40:54  -6.73  -4.56  -414.103216    2      1      
iter:  13  17:43:06  -7.04  -4.66  -414.103449    2      1      
iter:  14  17:45:16  -7.73  -4.82  -414.103394    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962451, -32.551013, 0.047881) |e|*Ang

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

Kinetic:        +18.575573
Potential:     -137.125687
External:        +0.000000
XC:            -305.269602
Entropy (-ST):   -1.565347
Local:          +10.498995
--------------------------
Free energy:   -414.886067
Extrapolated:  -414.103394

Fermi level: -6.49453

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56585    0.14913
  0   340     -6.54877    0.14053
  0   341     -6.54755    0.13989
  0   342     -6.51744    0.12378

  1   339     -6.46934    0.19437
  1   340     -6.42073    0.14375
  1   341     -6.38729    0.11330
  1   342     -6.37445    0.10281



Forces in eV/Ang:
  0 O     0.00000   -0.01723    1.17444
  1 Pt    0.00000   -0.00233   -0.37486
  2 Pt    0.00000   -0.01901   -0.43486
  3 O    -1.68458    0.00022   -0.71860
  4 O     1.68458    0.00022   -0.71860
  5 O     0.00000   -0.01202   -1.38674
  6 O     0.00000   -0.00255    1.76014
  7 Pt   -0.00000    0.01389    0.44801
  8 Pt    0.00000   -0.03889    0.74982
  9 O    -1.58103    0.00053    0.05029
 10 O     1.58103    0.00053    0.05029
 11 O     0.00000   -0.00893   -0.56790
 12 O    -0.00000    0.00985    0.13661
 13 Pt   -0.00000    0.27303   -0.04108
 14 Pt    0.00000   -0.01947    0.00679
 15 O    -0.00066    0.00987    0.00234
 16 O     0.00066    0.00987    0.00234
 17 O    -0.00000    0.01399   -1.02411
 18 O    -0.00000    0.00285    0.02389
 19 Pt    0.00000   -0.02447    0.12102
 20 Pt    0.00000   -0.04021    0.16649
 21 O    -0.20701    0.37342    0.21687
 22 O     0.20701    0.37342    0.21687
 23 O     0.00000   -0.01628   -0.08635
 24 O     0.00000   -0.00109    1.15043
 25 Pt   -0.00000    0.01649   -0.37820
 26 Pt    0.00000   -0.00016   -0.43537
 27 O    -1.69321    0.01339   -0.71783
 28 O     1.69321    0.01339   -0.71783
 29 O    -0.00000    0.04669   -1.38722
 30 O     0.00000   -0.00472    1.82551
 31 Pt   -0.00000    0.01914    0.50728
 32 Pt    0.00000   -0.14423    0.57159
 33 O    -1.61456   -0.01903    0.06924
 34 O     1.61456   -0.01903    0.06924
 35 O     0.00000   -0.03237   -0.52674
 36 O    -0.00000    0.21256   -0.11242
 37 Pt    0.00000   -0.31185   -0.04202
 38 Pt    0.00000   -0.00440   -0.01221
 39 O     0.00989    0.01153    0.01420
 40 O    -0.00989    0.01153    0.01420
 41 O     0.00000   -0.00356    0.00875
 42 O    -0.00000    0.03013   -0.01753
 43 Pt    0.00000   -0.00652    0.05314
 44 Pt    0.00000   -0.09373    0.01535
 45 O    -0.15469   -0.36499    0.08907
 46 O     0.15469   -0.36499    0.08907
 47 O     0.00000   -0.02184   -0.05559
 48 O    -0.00000    0.02217    1.17240
 49 Pt    0.00000   -0.02225   -0.37704
 50 Pt   -0.00000    0.02109   -0.43635
 51 O    -1.69245   -0.01393   -0.71816
 52 O     1.69245   -0.01393   -0.71816
 53 O     0.00000   -0.01187   -1.40530
 54 O     0.00000   -0.00199    1.76749
 55 Pt    0.00000   -0.01217    0.51333
 56 Pt   -0.00000    0.12452    0.64842
 57 O    -1.61406    0.01380    0.09049
 58 O     1.61406    0.01380    0.09049
 59 O     0.00000   -0.02123   -0.51828
 60 O     0.00000   -0.20347   -0.11324
 61 Pt   -0.00000    0.01495   -0.09342
 62 Pt   -0.00000    0.01737   -0.00873
 63 O    -0.01467   -0.00722    0.00186
 64 O     0.01467   -0.00722    0.00186
 65 O     0.00000    0.00035   -0.00267
 66 O     0.00000   -0.01179   -0.00402
 67 Pt   -0.00000    0.00725    0.02415
 68 Pt   -0.00000    0.15066    0.01793
 69 O    -0.00763    0.00299   -0.03268
 70 O     0.00763    0.00299   -0.03268
 71 O    -0.00000    0.00763   -0.05074
 72 N     0.00000   -0.27217    0.28956
 73 N    -0.00000    0.27105    0.15479

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    3.465126   24.051071    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.378728   23.843243    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:01:43  -3.59   +inf  -414.227586    3      1      
iter:   2  18:03:48  -2.85  -2.57  -417.408607    3      1      
iter:   3  18:05:52  -3.19  -1.87  -414.116262    3      1      
iter:   4  18:07:57  -3.85  -3.08  -414.109320    3      1      
iter:   5  18:10:03  -4.41  -3.59  -414.105209    3      1      
iter:   6  18:12:10  -4.78  -3.71  -414.104013    3      1      
iter:   7  18:14:16  -5.05  -4.00  -414.103648    2      1      
iter:   8  18:16:22  -5.59  -4.24  -414.104009    3      1      
iter:   9  18:18:28  -6.00  -4.42  -414.103971    2      1      
iter:  10  18:20:33  -6.22  -4.55  -414.104165    2      1      
iter:  11  18:22:38  -6.50  -4.49  -414.103831    2      1      
iter:  12  18:24:45  -6.81  -4.58  -414.104112    2      1      
iter:  13  18:26:53  -7.00  -4.61  -414.103980    2      1      
iter:  14  18:28:57  -7.41  -4.60  -414.103994    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962467, -32.549519, 0.047047) |e|*Ang

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

Kinetic:        +18.894713
Potential:     -137.393112
External:        +0.000000
XC:            -305.323475
Entropy (-ST):   -1.565308
Local:          +10.500534
--------------------------
Free energy:   -414.886648
Extrapolated:  -414.103994

Fermi level: -6.49494

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56580    0.14891
  0   340     -6.54940    0.14064
  0   341     -6.54821    0.14003
  0   342     -6.51771    0.12371

  1   339     -6.46986    0.19450
  1   340     -6.42129    0.14390
  1   341     -6.38771    0.11332
  1   342     -6.37499    0.10292



Forces in eV/Ang:
  0 O     0.00000   -0.01722    1.17394
  1 Pt    0.00000   -0.00235   -0.37446
  2 Pt    0.00000   -0.01901   -0.43469
  3 O    -1.68327    0.00024   -0.71908
  4 O     1.68327    0.00024   -0.71908
  5 O     0.00000   -0.01206   -1.38588
  6 O     0.00000   -0.00256    1.76710
  7 Pt   -0.00000    0.01388    0.45104
  8 Pt    0.00000   -0.03890    0.75193
  9 O    -1.58085    0.00052    0.05160
 10 O     1.58085    0.00052    0.05160
 11 O     0.00000   -0.00894   -0.56494
 12 O    -0.00000    0.01007    0.13915
 13 Pt   -0.00000    0.27352   -0.03871
 14 Pt    0.00000   -0.01948    0.00843
 15 O    -0.00106    0.00992    0.00324
 16 O     0.00106    0.00992    0.00324
 17 O    -0.00000    0.01463   -1.02665
 18 O    -0.00000    0.00269    0.02597
 19 Pt    0.00000   -0.02386    0.12224
 20 Pt    0.00000   -0.04641    0.15264
 21 O    -0.20788    0.37476    0.22060
 22 O     0.20788    0.37476    0.22060
 23 O     0.00000   -0.01734   -0.08869
 24 O     0.00000   -0.00110    1.14993
 25 Pt   -0.00000    0.01652   -0.37781
 26 Pt    0.00000   -0.00019   -0.43517
 27 O    -1.69191    0.01341   -0.71828
 28 O     1.69191    0.01341   -0.71828
 29 O    -0.00000    0.04664   -1.38642
 30 O     0.00000   -0.00466    1.83261
 31 Pt   -0.00000    0.01917    0.51039
 32 Pt    0.00000   -0.14401    0.57381
 33 O    -1.61436   -0.01903    0.07060
 34 O     1.61436   -0.01903    0.07060
 35 O     0.00000   -0.03237   -0.52383
 36 O    -0.00000    0.21289   -0.11025
 37 Pt    0.00000   -0.31267   -0.03957
 38 Pt    0.00000   -0.00446   -0.01073
 39 O     0.00949    0.01149    0.01515
 40 O    -0.00949    0.01149    0.01515
 41 O     0.00000   -0.00355    0.01348
 42 O    -0.00000    0.03053   -0.01585
 43 Pt    0.00000   -0.00689    0.05083
 44 Pt    0.00000   -0.08958    0.00428
 45 O    -0.15430   -0.36691    0.08842
 46 O     0.15430   -0.36691    0.08842
 47 O     0.00000   -0.02103   -0.05765
 48 O    -0.00000    0.02218    1.17190
 49 Pt    0.00000   -0.02225   -0.37659
 50 Pt   -0.00000    0.02111   -0.43613
 51 O    -1.69113   -0.01397   -0.71861
 52 O     1.69113   -0.01397   -0.71861
 53 O     0.00000   -0.01178   -1.40452
 54 O     0.00000   -0.00203    1.77466
 55 Pt    0.00000   -0.01219    0.51639
 56 Pt   -0.00000    0.12433    0.65055
 57 O    -1.61391    0.01381    0.09184
 58 O     1.61391    0.01381    0.09184
 59 O     0.00000   -0.02124   -0.51533
 60 O     0.00000   -0.20398   -0.11112
 61 Pt   -0.00000    0.01526   -0.09061
 62 Pt   -0.00000    0.01746   -0.00713
 63 O    -0.01498   -0.00724    0.00280
 64 O     0.01498   -0.00724    0.00280
 65 O     0.00000    0.00016    0.00198
 66 O     0.00000   -0.01195   -0.00236
 67 Pt   -0.00000    0.00721    0.02413
 68 Pt   -0.00000    0.15064    0.01814
 69 O    -0.00867    0.00306   -0.03118
 70 O     0.00867    0.00306   -0.03118
 71 O    -0.00000    0.00783   -0.05138
 72 N     0.00000   -0.03726    0.35842
 73 N    -0.00000    0.01720    0.16397

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    3.454161   24.067237    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.369198   23.859359    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:55:34  -2.92   +inf  -414.123574    3      1      
iter:   2  18:57:39  -3.65  -3.13  -414.333369    3      1      
iter:   3  18:59:44  -3.98  -2.42  -414.112839    3      1      
iter:   4  19:01:48  -4.70  -3.46  -414.114226    3      1      
iter:   5  19:03:53  -5.05  -3.89  -414.111606    3      1      
iter:   6  19:06:02  -4.94  -3.83  -414.111434    3      1      
iter:   7  19:08:11  -5.51  -4.10  -414.111954    2      1      
iter:   8  19:10:19  -5.42  -4.23  -414.111743    3      1      
iter:   9  19:12:25  -5.72  -4.39  -414.112240    2      1      
iter:  10  19:14:31  -5.97  -3.91  -414.112642    2      1      
iter:  11  19:16:39  -6.39  -3.88  -414.111861    2      1      
iter:  12  19:18:43  -6.91  -4.51  -414.111937    2      1      
iter:  13  19:20:49  -6.79  -4.65  -414.111802    2      1      
iter:  14  19:22:56  -7.02  -4.65  -414.111819    2      1      
iter:  15  19:25:04  -7.24  -4.70  -414.111769    2      1      
iter:  16  19:27:09  -7.71  -4.97  -414.111777    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962610, -32.548468, 0.045526) |e|*Ang

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

Kinetic:        +19.022406
Potential:     -137.506418
External:        +0.000000
XC:            -305.345659
Entropy (-ST):   -1.565513
Local:          +10.500651
--------------------------
Free energy:   -414.894533
Extrapolated:  -414.111777

Fermi level: -6.49652

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56727    0.14886
  0   340     -6.55084    0.14057
  0   341     -6.54965    0.13995
  0   342     -6.51946    0.12380

  1   339     -6.47139    0.19445
  1   340     -6.42273    0.14377
  1   341     -6.38913    0.11318
  1   342     -6.37720    0.10342



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17350
  1 Pt    0.00000   -0.00237   -0.37479
  2 Pt    0.00000   -0.01901   -0.43508
  3 O    -1.68382    0.00025   -0.71886
  4 O     1.68382    0.00025   -0.71886
  5 O     0.00000   -0.01199   -1.38605
  6 O     0.00000   -0.00260    1.76462
  7 Pt   -0.00000    0.01390    0.44996
  8 Pt    0.00000   -0.03905    0.75128
  9 O    -1.58111    0.00051    0.05105
 10 O     1.58111    0.00051    0.05105
 11 O     0.00000   -0.00893   -0.56647
 12 O    -0.00000    0.00989    0.13802
 13 Pt   -0.00000    0.27490   -0.04033
 14 Pt    0.00000   -0.01954    0.00730
 15 O    -0.00097    0.00997    0.00257
 16 O     0.00097    0.00997    0.00257
 17 O    -0.00000    0.01536   -1.03179
 18 O    -0.00000    0.00253    0.02485
 19 Pt    0.00000   -0.02443    0.12540
 20 Pt    0.00000   -0.05076    0.15500
 21 O    -0.20803    0.37554    0.22026
 22 O     0.20803    0.37554    0.22026
 23 O     0.00000   -0.01664   -0.08395
 24 O     0.00000   -0.00110    1.14948
 25 Pt   -0.00000    0.01658   -0.37811
 26 Pt    0.00000   -0.00020   -0.43556
 27 O    -1.69245    0.01339   -0.71808
 28 O     1.69245    0.01339   -0.71808
 29 O    -0.00000    0.04655   -1.38662
 30 O     0.00000   -0.00461    1.83021
 31 Pt   -0.00000    0.01915    0.50933
 32 Pt    0.00000   -0.14364    0.57350
 33 O    -1.61458   -0.01902    0.07005
 34 O     1.61458   -0.01902    0.07005
 35 O     0.00000   -0.03237   -0.52538
 36 O    -0.00000    0.21351   -0.11175
 37 Pt    0.00000   -0.31409   -0.04146
 38 Pt    0.00000   -0.00443   -0.01175
 39 O     0.00967    0.01149    0.01449
 40 O    -0.00967    0.01149    0.01449
 41 O     0.00000   -0.00342    0.01023
 42 O    -0.00000    0.03085   -0.01694
 43 Pt    0.00000   -0.00629    0.05789
 44 Pt    0.00000   -0.08887    0.01003
 45 O    -0.15734   -0.36846    0.09666
 46 O     0.15734   -0.36846    0.09666
 47 O     0.00000   -0.02189   -0.05358
 48 O    -0.00000    0.02222    1.17146
 49 Pt    0.00000   -0.02229   -0.37688
 50 Pt   -0.00000    0.02112   -0.43655
 51 O    -1.69167   -0.01396   -0.71839
 52 O     1.69167   -0.01396   -0.71839
 53 O     0.00000   -0.01178   -1.40458
 54 O     0.00000   -0.00205    1.77233
 55 Pt    0.00000   -0.01218    0.51529
 56 Pt   -0.00000    0.12413    0.65010
 57 O    -1.61420    0.01381    0.09122
 58 O     1.61420    0.01381    0.09122
 59 O     0.00000   -0.02124   -0.51687
 60 O     0.00000   -0.20434   -0.11227
 61 Pt   -0.00000    0.01510   -0.09300
 62 Pt   -0.00000    0.01749   -0.00810
 63 O    -0.01489   -0.00729    0.00222
 64 O     0.01489   -0.00729    0.00222
 65 O     0.00000    0.00035   -0.00094
 66 O     0.00000   -0.01211   -0.00357
 67 Pt   -0.00000    0.00728    0.02707
 68 Pt   -0.00000    0.15120    0.02318
 69 O    -0.00784    0.00259   -0.03013
 70 O     0.00784    0.00259   -0.03013
 71 O    -0.00000    0.00804   -0.04828
 72 N    -0.00000    0.12157    0.32525
 73 N     0.00000   -0.13680    0.13475

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    3.445995   24.081305    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.361522   23.874982    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:42:26  -3.03   +inf  -414.159976    3      1      
iter:   2  19:44:34  -3.27  -2.81  -415.215424    3      1      
iter:   3  19:46:43  -3.60  -2.09  -414.118911    3      1      
iter:   4  19:48:50  -4.37  -3.46  -414.121554    3      1      
iter:   5  19:50:59  -4.98  -3.79  -414.118940    3      1      
iter:   6  19:53:10  -5.03  -3.94  -414.117499    3      1      
iter:   7  19:55:20  -5.18  -4.00  -414.118493    3      1      
iter:   8  19:57:26  -5.43  -4.20  -414.118648    3      1      
iter:   9  19:59:31  -6.07  -3.93  -414.118149    2      1      
iter:  10  20:01:35  -6.29  -4.42  -414.118525    2      1      
iter:  11  20:03:41  -6.48  -4.44  -414.117820    3      1      
iter:  12  20:05:47  -6.51  -4.40  -414.118231    2      1      
iter:  13  20:07:53  -7.08  -4.84  -414.118191    2      1      
iter:  14  20:09:59  -7.01  -4.97  -414.118091    2      1      
iter:  15  20:12:05  -6.93  -4.62  -414.118373    2      1      
iter:  16  20:14:11  -7.01  -4.21  -414.118120    2      1      
iter:  17  20:16:19  -7.85  -5.13  -414.118146    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962638, -32.547352, 0.044507) |e|*Ang

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

Kinetic:        +19.153115
Potential:     -137.634416
External:        +0.000000
XC:            -305.355572
Entropy (-ST):   -1.565506
Local:          +10.501479
--------------------------
Free energy:   -414.900900
Extrapolated:  -414.118146

Fermi level: -6.49702

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56728    0.14862
  0   340     -6.55151    0.14066
  0   341     -6.55037    0.14007
  0   342     -6.51994    0.12379

  1   339     -6.47190    0.19447
  1   340     -6.42335    0.14388
  1   341     -6.38954    0.11311
  1   342     -6.37819    0.10381



Forces in eV/Ang:
  0 O     0.00000   -0.01728    1.17359
  1 Pt    0.00000   -0.00242   -0.37439
  2 Pt    0.00000   -0.01900   -0.43420
  3 O    -1.68307    0.00025   -0.71881
  4 O     1.68307    0.00025   -0.71881
  5 O     0.00000   -0.01195   -1.38652
  6 O     0.00000   -0.00261    1.76772
  7 Pt   -0.00000    0.01389    0.45070
  8 Pt    0.00000   -0.03917    0.75167
  9 O    -1.58097    0.00047    0.05085
 10 O     1.58097    0.00047    0.05085
 11 O     0.00000   -0.00893   -0.56640
 12 O    -0.00000    0.00991    0.13786
 13 Pt   -0.00000    0.27635   -0.03901
 14 Pt    0.00000   -0.01954    0.00838
 15 O    -0.00112    0.01004    0.00273
 16 O     0.00112    0.01004    0.00273
 17 O    -0.00000    0.01613   -1.03484
 18 O    -0.00000    0.00244    0.02427
 19 Pt    0.00000   -0.02459    0.12495
 20 Pt    0.00000   -0.05422    0.15182
 21 O    -0.20917    0.37696    0.22009
 22 O     0.20917    0.37696    0.22009
 23 O     0.00000   -0.01682   -0.08520
 24 O     0.00000   -0.00109    1.14957
 25 Pt   -0.00000    0.01664   -0.37770
 26 Pt    0.00000   -0.00021   -0.43467
 27 O    -1.69172    0.01338   -0.71805
 28 O     1.69172    0.01338   -0.71805
 29 O    -0.00000    0.04644   -1.38721
 30 O     0.00000   -0.00461    1.83332
 31 Pt   -0.00000    0.01917    0.51011
 32 Pt    0.00000   -0.14332    0.57418
 33 O    -1.61439   -0.01899    0.06987
 34 O     1.61439   -0.01899    0.06987
 35 O     0.00000   -0.03241   -0.52533
 36 O    -0.00000    0.21433   -0.11262
 37 Pt    0.00000   -0.31564   -0.04033
 38 Pt    0.00000   -0.00443   -0.01069
 39 O     0.00953    0.01149    0.01471
 40 O    -0.00953    0.01149    0.01471
 41 O     0.00000   -0.00309    0.01298
 42 O    -0.00000    0.03096   -0.01758
 43 Pt    0.00000   -0.00614    0.05933
 44 Pt    0.00000   -0.08862    0.00803
 45 O    -0.16179   -0.37098    0.10392
 46 O     0.16179   -0.37098    0.10392
 47 O     0.00000   -0.02170   -0.05494
 48 O    -0.00000    0.02223    1.17155
 49 Pt    0.00000   -0.02230   -0.37648
 50 Pt   -0.00000    0.02113   -0.43570
 51 O    -1.69093   -0.01395   -0.71835
 52 O     1.69093   -0.01395   -0.71835
 53 O     0.00000   -0.01172   -1.40507
 54 O     0.00000   -0.00203    1.77551
 55 Pt    0.00000   -0.01219    0.51603
 56 Pt   -0.00000    0.12395    0.65064
 57 O    -1.61408    0.01381    0.09097
 58 O     1.61408    0.01381    0.09097
 59 O     0.00000   -0.02121   -0.51686
 60 O     0.00000   -0.20514   -0.11291
 61 Pt   -0.00000    0.01504   -0.09220
 62 Pt   -0.00000    0.01748   -0.00694
 63 O    -0.01517   -0.00735    0.00233
 64 O     0.01517   -0.00735    0.00233
 65 O     0.00000    0.00033    0.00209
 66 O     0.00000   -0.01212   -0.00424
 67 Pt   -0.00000    0.00733    0.02622
 68 Pt   -0.00000    0.15155    0.02131
 69 O    -0.00867    0.00233   -0.03044
 70 O     0.00867    0.00233   -0.03044
 71 O    -0.00000    0.00802   -0.04946
 72 N    -0.00000    0.21518    0.29930
 73 N     0.00000   -0.28191    0.09735

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    3.439666   24.093651    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.354584   23.889702    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:23:31  -3.12   +inf  -414.125610    3      1      
iter:   2  20:25:38  -3.97  -3.38  -414.199559    2      1      
iter:   3  20:27:46  -4.37  -2.67  -414.125080    2      1      
iter:   4  20:29:53  -4.95  -3.86  -414.124286    3      1      
iter:   5  20:31:59  -4.88  -4.19  -414.125859    2      1      
iter:   6  20:34:07  -5.18  -3.89  -414.124010    3      1      
iter:   7  20:36:13  -5.90  -4.30  -414.124115    2      1      
iter:   8  20:38:19  -6.09  -4.60  -414.124233    2      1      
iter:   9  20:40:27  -6.20  -4.48  -414.124095    2      1      
iter:  10  20:42:33  -6.70  -4.49  -414.124157    2      1      
iter:  11  20:44:39  -7.30  -4.64  -414.124200    2      1      
iter:  12  20:46:46  -7.53  -4.85  -414.124002    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962640, -32.545876, 0.043504) |e|*Ang

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

Kinetic:        +19.105566
Potential:     -137.613955
External:        +0.000000
XC:            -305.334519
Entropy (-ST):   -1.565851
Local:          +10.501831
--------------------------
Free energy:   -414.906928
Extrapolated:  -414.124002

Fermi level: -6.49742

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56766    0.14860
  0   340     -6.55180    0.14060
  0   341     -6.55067    0.14001
  0   342     -6.52056    0.12391

  1   339     -6.47246    0.19462
  1   340     -6.42363    0.14376
  1   341     -6.38992    0.11309
  1   342     -6.37909    0.10420



Forces in eV/Ang:
  0 O     0.00000   -0.01733    1.17414
  1 Pt    0.00000   -0.00249   -0.37305
  2 Pt    0.00000   -0.01908   -0.43241
  3 O    -1.68272    0.00011   -0.71852
  4 O     1.68272    0.00011   -0.71852
  5 O     0.00000   -0.01190   -1.38634
  6 O     0.00000   -0.00253    1.76944
  7 Pt   -0.00000    0.01417    0.45108
  8 Pt    0.00000   -0.03909    0.75170
  9 O    -1.58130    0.00083    0.05125
 10 O     1.58130    0.00083    0.05125
 11 O     0.00000   -0.00888   -0.56670
 12 O    -0.00000    0.00989    0.13690
 13 Pt   -0.00000    0.27726   -0.04032
 14 Pt    0.00000   -0.01970    0.00644
 15 O    -0.00196    0.00991    0.00274
 16 O     0.00196    0.00991    0.00274
 17 O    -0.00000    0.01642   -1.03749
 18 O    -0.00000    0.00268    0.02430
 19 Pt    0.00000   -0.02557    0.12248
 20 Pt    0.00000   -0.05227    0.16152
 21 O    -0.20964    0.37893    0.21977
 22 O     0.20964    0.37893    0.21977
 23 O     0.00000   -0.01641   -0.08668
 24 O     0.00000   -0.00092    1.15012
 25 Pt   -0.00000    0.01671   -0.37624
 26 Pt    0.00000   -0.00000   -0.43316
 27 O    -1.69131    0.01348   -0.71777
 28 O     1.69131    0.01348   -0.71777
 29 O    -0.00000    0.04628   -1.38745
 30 O     0.00000   -0.00485    1.83425
 31 Pt   -0.00000    0.01896    0.51052
 32 Pt    0.00000   -0.14350    0.57484
 33 O    -1.61477   -0.01926    0.07024
 34 O     1.61477   -0.01926    0.07024
 35 O     0.00000   -0.03252   -0.52556
 36 O    -0.00000    0.21491   -0.11334
 37 Pt    0.00000   -0.31676   -0.04202
 38 Pt    0.00000   -0.00381   -0.01182
 39 O     0.00870    0.01157    0.01477
 40 O    -0.00870    0.01157    0.01477
 41 O     0.00000   -0.00206    0.00945
 42 O    -0.00000    0.03090   -0.01733
 43 Pt    0.00000   -0.00550    0.06076
 44 Pt    0.00000   -0.09244    0.01217
 45 O    -0.16789   -0.37445    0.11570
 46 O     0.16789   -0.37445    0.11570
 47 O     0.00000   -0.02149   -0.05698
 48 O    -0.00000    0.02212    1.17212
 49 Pt    0.00000   -0.02230   -0.37539
 50 Pt   -0.00000    0.02099   -0.43432
 51 O    -1.69066   -0.01391   -0.71806
 52 O     1.69066   -0.01391   -0.71806
 53 O     0.00000   -0.01163   -1.40532
 54 O     0.00000   -0.00187    1.77604
 55 Pt    0.00000   -0.01225    0.51645
 56 Pt   -0.00000    0.12408    0.65125
 57 O    -1.61425    0.01371    0.09139
 58 O     1.61425    0.01371    0.09139
 59 O     0.00000   -0.02113   -0.51703
 60 O     0.00000   -0.20565   -0.11301
 61 Pt   -0.00000    0.01512   -0.09383
 62 Pt   -0.00000    0.01702   -0.00772
 63 O    -0.01599   -0.00730    0.00265
 64 O     0.01599   -0.00730    0.00265
 65 O     0.00000   -0.00013   -0.00288
 66 O     0.00000   -0.01231   -0.00385
 67 Pt   -0.00000    0.00763    0.02293
 68 Pt   -0.00000    0.15158    0.01708
 69 O    -0.00768    0.00199   -0.03155
 70 O     0.00768    0.00199   -0.03155
 71 O    -0.00000    0.00742   -0.05191
 72 N    -0.00000    0.17421    0.23320
 73 N     0.00000   -0.23951    0.07390

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    3.433578   24.105473    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.348057   23.903899    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:03:43  -3.14   +inf  -414.140754    3      1      
iter:   2  21:05:52  -3.95  -3.25  -414.147533    3      1      
iter:   3  21:08:03  -4.25  -2.87  -414.145042    3      1      
iter:   4  21:10:13  -4.77  -2.97  -414.129928    3      1      
iter:   5  21:12:18  -5.16  -3.89  -414.128656    3      1      
iter:   6  21:14:23  -5.17  -4.07  -414.128614    3      1      
iter:   7  21:16:31  -5.39  -4.37  -414.128762    2      1      
iter:   8  21:18:35  -5.75  -4.53  -414.128609    2      1      
iter:   9  21:20:41  -6.17  -4.69  -414.128630    2      1      
iter:  10  21:22:47  -6.69  -4.66  -414.128618    2      1      
iter:  11  21:24:54  -7.36  -4.79  -414.128497    2      1      
iter:  12  21:27:00  -7.71  -4.72  -414.128714    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962659, -32.544549, 0.041651) |e|*Ang

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

Kinetic:        +19.070012
Potential:     -137.599667
External:        +0.000000
XC:            -305.319414
Entropy (-ST):   -1.565371
Local:          +10.503041
--------------------------
Free energy:   -414.911399
Extrapolated:  -414.128714

Fermi level: -6.49929

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56898    0.14833
  0   340     -6.55383    0.14068
  0   341     -6.55271    0.14011
  0   342     -6.52227    0.12382

  1   339     -6.47402    0.19430
  1   340     -6.42569    0.14394
  1   341     -6.39163    0.11296
  1   342     -6.38126    0.10444



Forces in eV/Ang:
  0 O     0.00000   -0.01731    1.17415
  1 Pt    0.00000   -0.00244   -0.37504
  2 Pt    0.00000   -0.01904   -0.43437
  3 O    -1.68315    0.00018   -0.71896
  4 O     1.68315    0.00018   -0.71896
  5 O     0.00000   -0.01187   -1.38704
  6 O     0.00000   -0.00254    1.76725
  7 Pt   -0.00000    0.01389    0.45051
  8 Pt    0.00000   -0.03925    0.75123
  9 O    -1.58063    0.00058    0.05084
 10 O     1.58063    0.00058    0.05084
 11 O     0.00000   -0.00890   -0.56646
 12 O    -0.00000    0.00972    0.13801
 13 Pt   -0.00000    0.27925   -0.03747
 14 Pt    0.00000   -0.01975    0.00942
 15 O    -0.00097    0.00991    0.00337
 16 O     0.00097    0.00991    0.00337
 17 O    -0.00000    0.01715   -1.04041
 18 O    -0.00000    0.00243    0.02541
 19 Pt    0.00000   -0.02449    0.12509
 20 Pt    0.00000   -0.05427    0.16183
 21 O    -0.21040    0.38017    0.22074
 22 O     0.21040    0.38017    0.22074
 23 O     0.00000   -0.01596   -0.08805
 24 O     0.00000   -0.00102    1.15009
 25 Pt   -0.00000    0.01672   -0.37823
 26 Pt    0.00000   -0.00012   -0.43501
 27 O    -1.69175    0.01343   -0.71820
 28 O     1.69175    0.01343   -0.71820
 29 O    -0.00000    0.04620   -1.38815
 30 O     0.00000   -0.00484    1.83256
 31 Pt   -0.00000    0.01917    0.50988
 32 Pt    0.00000   -0.14296    0.57468
 33 O    -1.61405   -0.01907    0.06983
 34 O     1.61405   -0.01907    0.06983
 35 O     0.00000   -0.03247   -0.52513
 36 O    -0.00000    0.21647   -0.11402
 37 Pt    0.00000   -0.31868   -0.03930
 38 Pt    0.00000   -0.00388   -0.00986
 39 O     0.00980    0.01163    0.01540
 40 O    -0.00980    0.01163    0.01540
 41 O     0.00000   -0.00229    0.01650
 42 O    -0.00000    0.03117   -0.01659
 43 Pt    0.00000   -0.00613    0.06630
 44 Pt    0.00000   -0.09335    0.01699
 45 O    -0.17180   -0.37641    0.12565
 46 O     0.17180   -0.37641    0.12565
 47 O     0.00000   -0.02216   -0.05770
 48 O    -0.00000    0.02218    1.17206
 49 Pt    0.00000   -0.02234   -0.37727
 50 Pt   -0.00000    0.02107   -0.43615
 51 O    -1.69108   -0.01392   -0.71850
 52 O     1.69108   -0.01392   -0.71850
 53 O     0.00000   -0.01158   -1.40591
 54 O     0.00000   -0.00185    1.77467
 55 Pt    0.00000   -0.01218    0.51606
 56 Pt   -0.00000    0.12371    0.65104
 57 O    -1.61369    0.01376    0.09096
 58 O     1.61369    0.01376    0.09096
 59 O     0.00000   -0.02116   -0.51643
 60 O     0.00000   -0.20700   -0.11377
 61 Pt   -0.00000    0.01489   -0.09178
 62 Pt   -0.00000    0.01714   -0.00600
 63 O    -0.01530   -0.00735    0.00298
 64 O     0.01530   -0.00735    0.00298
 65 O     0.00000    0.00025    0.00457
 66 O     0.00000   -0.01227   -0.00331
 67 Pt   -0.00000    0.00720    0.02559
 68 Pt   -0.00000    0.15214    0.01921
 69 O    -0.00892    0.00159   -0.03076
 70 O     0.00892    0.00159   -0.03076
 71 O    -0.00000    0.00773   -0.05266
 72 N    -0.00000    0.20520    0.25134
 73 N     0.00000   -0.18025    0.03181

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    3.429743   24.116543    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.343000   23.918323    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:42:19  -3.17   +inf  -414.146838    3      1      
iter:   2  21:44:31  -3.49  -2.93  -414.770960    3      1      
iter:   3  21:46:41  -3.81  -2.21  -414.141674    3      1      
iter:   4  21:48:47  -4.45  -3.39  -414.134451    3      1      
iter:   5  21:50:55  -4.89  -3.65  -414.133538    2      1      
iter:   6  21:53:00  -5.07  -4.19  -414.132843    2      1      
iter:   7  21:55:06  -5.17  -4.25  -414.132584    2      1      
iter:   8  21:57:13  -5.67  -4.24  -414.132889    2      1      
iter:   9  21:59:22  -6.16  -4.63  -414.132782    2      1      
iter:  10  22:01:28  -6.77  -4.71  -414.133069    2      1      
iter:  11  22:03:35  -7.06  -4.62  -414.132799    2      1      
iter:  12  22:05:42  -7.30  -4.68  -414.132874    2      1      
iter:  13  22:07:48  -7.44  -4.72  -414.132957    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962679, -32.543247, 0.040340) |e|*Ang

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

Kinetic:        +18.949729
Potential:     -137.519135
External:        +0.000000
XC:            -305.284529
Entropy (-ST):   -1.565558
Local:          +10.503756
--------------------------
Free energy:   -414.915736
Extrapolated:  -414.132957

Fermi level: -6.50030

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56975    0.14822
  0   340     -6.55486    0.14069
  0   341     -6.55377    0.14013
  0   342     -6.52332    0.12385

  1   339     -6.47510    0.19438
  1   340     -6.42670    0.14395
  1   341     -6.39260    0.11293
  1   342     -6.38266    0.10476



Forces in eV/Ang:
  0 O     0.00000   -0.01733    1.17385
  1 Pt    0.00000   -0.00249   -0.37458
  2 Pt    0.00000   -0.01904   -0.43415
  3 O    -1.68242    0.00022   -0.71882
  4 O     1.68242    0.00022   -0.71882
  5 O     0.00000   -0.01184   -1.38645
  6 O     0.00000   -0.00255    1.76967
  7 Pt   -0.00000    0.01390    0.45165
  8 Pt    0.00000   -0.03932    0.75243
  9 O    -1.58074    0.00057    0.05143
 10 O     1.58074    0.00057    0.05143
 11 O     0.00000   -0.00888   -0.56662
 12 O    -0.00000    0.00958    0.13774
 13 Pt   -0.00000    0.28073   -0.03738
 14 Pt    0.00000   -0.01972    0.00952
 15 O    -0.00096    0.01014    0.00351
 16 O     0.00096    0.01014    0.00351
 17 O    -0.00000    0.01791   -1.04672
 18 O    -0.00000    0.00243    0.02428
 19 Pt    0.00000   -0.02452    0.12486
 20 Pt    0.00000   -0.05870    0.15361
 21 O    -0.21110    0.38119    0.22007
 22 O     0.21110    0.38119    0.22007
 23 O     0.00000   -0.01661   -0.08787
 24 O     0.00000   -0.00103    1.14979
 25 Pt   -0.00000    0.01677   -0.37775
 26 Pt    0.00000   -0.00015   -0.43475
 27 O    -1.69102    0.01340   -0.71805
 28 O     1.69102    0.01340   -0.71805
 29 O    -0.00000    0.04609   -1.38766
 30 O     0.00000   -0.00473    1.83518
 31 Pt   -0.00000    0.01918    0.51105
 32 Pt    0.00000   -0.14264    0.57613
 33 O    -1.61413   -0.01906    0.07046
 34 O     1.61413   -0.01906    0.07046
 35 O     0.00000   -0.03244   -0.52556
 36 O    -0.00000    0.21726   -0.11481
 37 Pt    0.00000   -0.32007   -0.03909
 38 Pt    0.00000   -0.00410   -0.00984
 39 O     0.00981    0.01147    0.01575
 40 O    -0.00981    0.01147    0.01575
 41 O     0.00000   -0.00240    0.01647
 42 O    -0.00000    0.03132   -0.01783
 43 Pt    0.00000   -0.00600    0.06580
 44 Pt    0.00000   -0.09127    0.01192
 45 O    -0.17303   -0.37812    0.12769
 46 O     0.17303   -0.37812    0.12769
 47 O     0.00000   -0.02163   -0.05770
 48 O    -0.00000    0.02222    1.17176
 49 Pt    0.00000   -0.02235   -0.37675
 50 Pt   -0.00000    0.02109   -0.43590
 51 O    -1.69031   -0.01394   -0.71837
 52 O     1.69031   -0.01394   -0.71837
 53 O     0.00000   -0.01151   -1.40543
 54 O     0.00000   -0.00196    1.77730
 55 Pt    0.00000   -0.01219    0.51709
 56 Pt   -0.00000    0.12347    0.65244
 57 O    -1.61380    0.01377    0.09141
 58 O     1.61380    0.01377    0.09141
 59 O     0.00000   -0.02122   -0.51691
 60 O     0.00000   -0.20761   -0.11465
 61 Pt   -0.00000    0.01473   -0.09199
 62 Pt   -0.00000    0.01733   -0.00613
 63 O    -0.01521   -0.00742    0.00303
 64 O     0.01521   -0.00742    0.00303
 65 O     0.00000    0.00043    0.00461
 66 O     0.00000   -0.01238   -0.00457
 67 Pt   -0.00000    0.00723    0.02498
 68 Pt   -0.00000    0.15216    0.01828
 69 O    -0.00940    0.00151   -0.03164
 70 O     0.00940    0.00151   -0.03164
 71 O    -0.00000    0.00778   -0.05246
 72 N    -0.00000    0.11501    0.35006
 73 N     0.00000   -0.10229    0.07527

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    3.426273   24.127657    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.338726   23.934104    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:17:57  -3.12   +inf  -414.171405    3      1      
iter:   2  22:20:08  -3.27  -2.80  -415.307572    3      1      
iter:   3  22:22:18  -3.60  -2.08  -414.145767    3      1      
iter:   4  22:24:28  -4.22  -3.25  -414.139896    2      1      
iter:   5  22:26:37  -4.68  -3.92  -414.137943    3      1      
iter:   6  22:28:44  -4.87  -3.95  -414.138141    2      1      
iter:   7  22:30:50  -5.15  -3.95  -414.137925    3      1      
iter:   8  22:32:57  -5.54  -3.99  -414.138235    2      1      
iter:   9  22:35:03  -6.22  -4.57  -414.138178    2      1      
iter:  10  22:37:08  -6.79  -4.62  -414.138090    2      1      
iter:  11  22:39:15  -7.08  -4.68  -414.138480    2      1      
iter:  12  22:41:22  -7.10  -4.57  -414.138088    2      1      
iter:  13  22:43:29  -7.30  -4.84  -414.138201    2      1      
iter:  14  22:45:36  -7.63  -4.79  -414.138208    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962700, -32.541445, 0.038712) |e|*Ang

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

Kinetic:        +18.951737
Potential:     -137.539583
External:        +0.000000
XC:            -305.271312
Entropy (-ST):   -1.565686
Local:          +10.503793
--------------------------
Free energy:   -414.921051
Extrapolated:  -414.138208

Fermi level: -6.50193

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57125    0.14815
  0   340     -6.55642    0.14065
  0   341     -6.55534    0.14010
  0   342     -6.52508    0.12391

  1   339     -6.47671    0.19434
  1   340     -6.42828    0.14389
  1   341     -6.39417    0.11287
  1   342     -6.38474    0.10512



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17336
  1 Pt    0.00000   -0.00248   -0.37509
  2 Pt    0.00000   -0.01904   -0.43561
  3 O    -1.68262    0.00021   -0.71893
  4 O     1.68262    0.00021   -0.71893
  5 O     0.00000   -0.01181   -1.38620
  6 O     0.00000   -0.00255    1.76948
  7 Pt   -0.00000    0.01391    0.45283
  8 Pt    0.00000   -0.03937    0.75328
  9 O    -1.58062    0.00058    0.05296
 10 O     1.58062    0.00058    0.05296
 11 O     0.00000   -0.00886   -0.56572
 12 O    -0.00000    0.00969    0.13905
 13 Pt   -0.00000    0.28197   -0.03650
 14 Pt    0.00000   -0.01977    0.00964
 15 O    -0.00088    0.01018    0.00479
 16 O     0.00088    0.01018    0.00479
 17 O    -0.00000    0.01845   -1.05290
 18 O    -0.00000    0.00235    0.02497
 19 Pt    0.00000   -0.02480    0.12736
 20 Pt    0.00000   -0.06321    0.14803
 21 O    -0.21164    0.38200    0.22167
 22 O     0.21164    0.38200    0.22167
 23 O     0.00000   -0.01735   -0.08759
 24 O     0.00000   -0.00101    1.14929
 25 Pt   -0.00000    0.01680   -0.37821
 26 Pt    0.00000   -0.00012   -0.43626
 27 O    -1.69121    0.01342   -0.71816
 28 O     1.69121    0.01342   -0.71816
 29 O    -0.00000    0.04601   -1.38751
 30 O     0.00000   -0.00477    1.83492
 31 Pt   -0.00000    0.01917    0.51226
 32 Pt    0.00000   -0.14236    0.57740
 33 O    -1.61401   -0.01907    0.07193
 34 O     1.61401   -0.01907    0.07193
 35 O     0.00000   -0.03245   -0.52453
 36 O    -0.00000    0.21803   -0.11414
 37 Pt    0.00000   -0.32164   -0.03841
 38 Pt    0.00000   -0.00393   -0.00982
 39 O     0.00991    0.01145    0.01708
 40 O    -0.00991    0.01145    0.01708
 41 O     0.00000   -0.00223    0.01545
 42 O    -0.00000    0.03145   -0.01718
 43 Pt    0.00000   -0.00569    0.06776
 44 Pt    0.00000   -0.08918    0.00797
 45 O    -0.17425   -0.37987    0.13030
 46 O     0.17425   -0.37987    0.13030
 47 O     0.00000   -0.02111   -0.05761
 48 O    -0.00000    0.02224    1.17127
 49 Pt    0.00000   -0.02238   -0.37727
 50 Pt   -0.00000    0.02108   -0.43745
 51 O    -1.69054   -0.01394   -0.71845
 52 O     1.69054   -0.01394   -0.71845
 53 O     0.00000   -0.01145   -1.40521
 54 O     0.00000   -0.00193    1.77702
 55 Pt    0.00000   -0.01220    0.51834
 56 Pt   -0.00000    0.12326    0.65362
 57 O    -1.61370    0.01378    0.09297
 58 O     1.61370    0.01378    0.09297
 59 O     0.00000   -0.02123   -0.51588
 60 O     0.00000   -0.20849   -0.11370
 61 Pt   -0.00000    0.01498   -0.09167
 62 Pt   -0.00000    0.01723   -0.00595
 63 O    -0.01522   -0.00744    0.00433
 64 O     0.01522   -0.00744    0.00433
 65 O     0.00000    0.00045    0.00374
 66 O     0.00000   -0.01243   -0.00393
 67 Pt   -0.00000    0.00734    0.02690
 68 Pt   -0.00000    0.15237    0.02046
 69 O    -0.00953    0.00145   -0.03031
 70 O     0.00953    0.00145   -0.03031
 71 O    -0.00000    0.00795   -0.05168
 72 N    -0.00000    0.12766    0.31757
 73 N     0.00000   -0.18662    0.13268

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    3.422623   24.139050    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.333713   23.950868    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:57:04  -3.08   +inf  -414.166219    3      1      
iter:   2  22:59:12  -3.38  -2.87  -414.989317    2      1      
iter:   3  23:01:18  -3.71  -2.15  -414.148246    3      1      
iter:   4  23:03:24  -4.37  -3.41  -414.144460    2      1      
iter:   5  23:05:30  -4.65  -4.02  -414.143654    2      1      
iter:   6  23:07:36  -5.01  -4.04  -414.142157    3      1      
iter:   7  23:09:42  -5.27  -4.04  -414.143369    2      1      
iter:   8  23:11:48  -5.72  -4.14  -414.143449    2      1      
iter:   9  23:13:52  -6.17  -4.47  -414.143302    2      1      
iter:  10  23:15:58  -6.77  -4.31  -414.143416    2      1      
iter:  11  23:18:06  -6.90  -4.58  -414.143403    2      1      
iter:  12  23:20:10  -6.91  -4.68  -414.143364    2      1      
iter:  13  23:22:17  -7.24  -4.87  -414.143528    2      1      
iter:  14  23:24:23  -7.64  -4.93  -414.143422    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962732, -32.539675, 0.037231) |e|*Ang

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

Kinetic:        +18.851797
Potential:     -137.471877
External:        +0.000000
XC:            -305.243267
Entropy (-ST):   -1.565803
Local:          +10.502826
--------------------------
Free energy:   -414.926323
Extrapolated:  -414.143422

Fermi level: -6.50300

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57212    0.14805
  0   340     -6.55743    0.14063
  0   341     -6.55638    0.14008
  0   342     -6.52622    0.12396

  1   339     -6.47779    0.19436
  1   340     -6.42931    0.14386
  1   341     -6.39518    0.11282
  1   342     -6.38623    0.10545



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17349
  1 Pt    0.00000   -0.00251   -0.37465
  2 Pt    0.00000   -0.01906   -0.43438
  3 O    -1.68269    0.00020   -0.71870
  4 O     1.68269    0.00020   -0.71870
  5 O     0.00000   -0.01180   -1.38641
  6 O     0.00000   -0.00259    1.76937
  7 Pt   -0.00000    0.01394    0.45232
  8 Pt    0.00000   -0.03945    0.75296
  9 O    -1.58071    0.00060    0.05248
 10 O     1.58071    0.00060    0.05248
 11 O     0.00000   -0.00888   -0.56610
 12 O    -0.00000    0.00966    0.13856
 13 Pt   -0.00000    0.28352   -0.03705
 14 Pt    0.00000   -0.01977    0.00895
 15 O    -0.00108    0.01023    0.00432
 16 O     0.00108    0.01023    0.00432
 17 O    -0.00000    0.01886   -1.05926
 18 O    -0.00000    0.00237    0.02497
 19 Pt    0.00000   -0.02470    0.12695
 20 Pt    0.00000   -0.06433    0.14873
 21 O    -0.21218    0.38329    0.22144
 22 O     0.21218    0.38329    0.22144
 23 O     0.00000   -0.01716   -0.08826
 24 O     0.00000   -0.00100    1.14942
 25 Pt   -0.00000    0.01685   -0.37778
 26 Pt    0.00000   -0.00010   -0.43504
 27 O    -1.69127    0.01341   -0.71795
 28 O     1.69127    0.01341   -0.71795
 29 O    -0.00000    0.04594   -1.38782
 30 O     0.00000   -0.00470    1.83474
 31 Pt   -0.00000    0.01915    0.51179
 32 Pt    0.00000   -0.14206    0.57740
 33 O    -1.61407   -0.01908    0.07146
 34 O     1.61407   -0.01908    0.07146
 35 O     0.00000   -0.03244   -0.52489
 36 O    -0.00000    0.21888   -0.11522
 37 Pt    0.00000   -0.32323   -0.03922
 38 Pt    0.00000   -0.00402   -0.01055
 39 O     0.00973    0.01142    0.01660
 40 O    -0.00973    0.01142    0.01660
 41 O     0.00000   -0.00188    0.01547
 42 O    -0.00000    0.03165   -0.01737
 43 Pt    0.00000   -0.00571    0.06947
 44 Pt    0.00000   -0.08986    0.00851
 45 O    -0.17747   -0.38222    0.13711
 46 O     0.17747   -0.38222    0.13711
 47 O     0.00000   -0.02120   -0.05836
 48 O    -0.00000    0.02224    1.17141
 49 Pt    0.00000   -0.02240   -0.37682
 50 Pt   -0.00000    0.02107   -0.43627
 51 O    -1.69062   -0.01393   -0.71821
 52 O     1.69062   -0.01393   -0.71821
 53 O     0.00000   -0.01140   -1.40544
 54 O     0.00000   -0.00196    1.77677
 55 Pt    0.00000   -0.01221    0.51779
 56 Pt   -0.00000    0.12304    0.65350
 57 O    -1.61379    0.01376    0.09242
 58 O     1.61379    0.01376    0.09242
 59 O     0.00000   -0.02123   -0.51623
 60 O     0.00000   -0.20927   -0.11466
 61 Pt   -0.00000    0.01492   -0.09250
 62 Pt   -0.00000    0.01731   -0.00659
 63 O    -0.01533   -0.00746    0.00390
 64 O     0.01533   -0.00746    0.00390
 65 O     0.00000    0.00045    0.00369
 66 O     0.00000   -0.01259   -0.00415
 67 Pt   -0.00000    0.00730    0.02602
 68 Pt   -0.00000    0.15239    0.01893
 69 O    -0.00972    0.00126   -0.03100
 70 O     0.00972    0.00126   -0.03100
 71 O    -0.00000    0.00787   -0.05245
 72 N    -0.00000    0.04729    0.28507
 73 N     0.00000   -0.07365    0.13265

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    3.419061   24.150195    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.329153   23.967564    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:32:10  -3.10   +inf  -414.164081    3      1      
iter:   2  23:34:14  -3.53  -2.97  -414.688286    3      1      
iter:   3  23:36:21  -3.85  -2.24  -414.150553    3      1      
iter:   4  23:38:26  -4.52  -3.53  -414.150358    3      1      
iter:   5  23:40:30  -4.95  -3.98  -414.148708    3      1      
iter:   6  23:42:36  -4.91  -4.05  -414.148863    2      1      
iter:   7  23:44:43  -5.12  -4.02  -414.148849    3      1      
iter:   8  23:46:52  -5.73  -4.33  -414.148960    2      1      
iter:   9  23:48:56  -6.34  -4.56  -414.148936    2      1      
iter:  10  23:51:01  -6.80  -4.25  -414.148839    2      1      
iter:  11  23:53:08  -7.05  -4.76  -414.149221    2      1      
iter:  12  23:55:14  -7.22  -4.59  -414.148827    2      1      
iter:  13  23:57:20  -7.36  -4.87  -414.148947    2      1      
iter:  14  23:59:24  -7.58  -5.03  -414.148957    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962769, -32.537778, 0.035419) |e|*Ang

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

Kinetic:        +18.814796
Potential:     -137.456773
External:        +0.000000
XC:            -305.226327
Entropy (-ST):   -1.565811
Local:          +10.502253
--------------------------
Free energy:   -414.931862
Extrapolated:  -414.148957

Fermi level: -6.50473

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57371    0.14798
  0   340     -6.55912    0.14060
  0   341     -6.55807    0.14006
  0   342     -6.52808    0.12402

  1   339     -6.47940    0.19422
  1   340     -6.43100    0.14382
  1   341     -6.39686    0.11277
  1   342     -6.38838    0.10579



Forces in eV/Ang:
  0 O     0.00000   -0.01739    1.17365
  1 Pt    0.00000   -0.00250   -0.37497
  2 Pt    0.00000   -0.01906   -0.43492
  3 O    -1.68291    0.00019   -0.71871
  4 O     1.68291    0.00019   -0.71871
  5 O     0.00000   -0.01178   -1.38615
  6 O     0.00000   -0.00258    1.76846
  7 Pt   -0.00000    0.01394    0.45220
  8 Pt    0.00000   -0.03950    0.75264
  9 O    -1.58059    0.00063    0.05239
 10 O     1.58059    0.00063    0.05239
 11 O     0.00000   -0.00886   -0.56613
 12 O    -0.00000    0.00972    0.13865
 13 Pt   -0.00000    0.28491   -0.03734
 14 Pt    0.00000   -0.01988    0.00880
 15 O    -0.00103    0.01023    0.00398
 16 O     0.00103    0.01023    0.00398
 17 O    -0.00000    0.01922   -1.06485
 18 O    -0.00000    0.00225    0.02497
 19 Pt    0.00000   -0.02478    0.12893
 20 Pt    0.00000   -0.06626    0.14969
 21 O    -0.21248    0.38461    0.22278
 22 O     0.21248    0.38461    0.22278
 23 O     0.00000   -0.01713   -0.08771
 24 O     0.00000   -0.00098    1.14957
 25 Pt   -0.00000    0.01687   -0.37806
 26 Pt    0.00000   -0.00009   -0.43565
 27 O    -1.69148    0.01343   -0.71795
 28 O     1.69148    0.01343   -0.71795
 29 O    -0.00000    0.04585   -1.38774
 30 O     0.00000   -0.00476    1.83379
 31 Pt   -0.00000    0.01915    0.51170
 32 Pt    0.00000   -0.14184    0.57754
 33 O    -1.61394   -0.01911    0.07140
 34 O     1.61394   -0.01911    0.07140
 35 O     0.00000   -0.03247   -0.52493
 36 O    -0.00000    0.21965   -0.11563
 37 Pt    0.00000   -0.32480   -0.03976
 38 Pt    0.00000   -0.00373   -0.01065
 39 O     0.00983    0.01144    0.01623
 40 O    -0.00983    0.01144    0.01623
 41 O     0.00000   -0.00156    0.01458
 42 O    -0.00000    0.03193   -0.01750
 43 Pt    0.00000   -0.00556    0.07306
 44 Pt    0.00000   -0.08996    0.00997
 45 O    -0.18016   -0.38453    0.14348
 46 O     0.18016   -0.38453    0.14348
 47 O     0.00000   -0.02125   -0.05804
 48 O    -0.00000    0.02224    1.17155
 49 Pt    0.00000   -0.02244   -0.37718
 50 Pt   -0.00000    0.02106   -0.43692
 51 O    -1.69086   -0.01393   -0.71825
 52 O     1.69086   -0.01393   -0.71825
 53 O     0.00000   -0.01134   -1.40530
 54 O     0.00000   -0.00191    1.77588
 55 Pt    0.00000   -0.01221    0.51772
 56 Pt   -0.00000    0.12288    0.65355
 57 O    -1.61366    0.01375    0.09232
 58 O     1.61366    0.01375    0.09232
 59 O     0.00000   -0.02121   -0.51626
 60 O     0.00000   -0.21009   -0.11478
 61 Pt   -0.00000    0.01506   -0.09331
 62 Pt   -0.00000    0.01714   -0.00660
 63 O    -0.01538   -0.00748    0.00361
 64 O     0.01538   -0.00748    0.00361
 65 O     0.00000    0.00039    0.00234
 66 O     0.00000   -0.01273   -0.00430
 67 Pt   -0.00000    0.00729    0.02723
 68 Pt   -0.00000    0.15263    0.02085
 69 O    -0.00941    0.00103   -0.03019
 70 O     0.00941    0.00103   -0.03019
 71 O    -0.00000    0.00789   -0.05211
 72 N    -0.00000    0.04133    0.34125
 73 N     0.00000   -0.08976    0.11431

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    3.416057   24.161082    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.324560   23.984675    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:13:18  -3.10   +inf  -414.161430    2      1      
iter:   2  00:15:25  -3.65  -3.07  -414.502709    3      1      
iter:   3  00:17:29  -3.99  -2.34  -414.157963    2      1      
iter:   4  00:19:35  -4.64  -3.70  -414.154878    3      1      
iter:   5  00:21:40  -5.02  -3.85  -414.154998    2      1      
iter:   6  00:23:45  -4.99  -4.14  -414.154561    2      1      
iter:   7  00:25:51  -5.08  -4.28  -414.154341    3      1      
iter:   8  00:27:55  -5.66  -4.40  -414.154493    2      1      
iter:   9  00:30:02  -6.31  -4.56  -414.154351    2      1      
iter:  10  00:32:07  -6.80  -4.68  -414.154683    2      1      
iter:  11  00:34:15  -7.04  -4.53  -414.154351    2      1      
iter:  12  00:36:22  -7.15  -4.57  -414.154461    2      1      
iter:  13  00:38:28  -7.28  -4.72  -414.154540    2      1      
iter:  14  00:40:36  -7.64  -4.97  -414.154514    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962788, -32.535999, 0.033942) |e|*Ang

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

Kinetic:        +18.704001
Potential:     -137.380318
External:        +0.000000
XC:            -305.195410
Entropy (-ST):   -1.565870
Local:          +10.500149
--------------------------
Free energy:   -414.937449
Extrapolated:  -414.154514

Fermi level: -6.50588

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57465    0.14788
  0   340     -6.56025    0.14060
  0   341     -6.55923    0.14007
  0   342     -6.52930    0.12406

  1   339     -6.48052    0.19420
  1   340     -6.43214    0.14381
  1   341     -6.39796    0.11274
  1   342     -6.38991    0.10610



Forces in eV/Ang:
  0 O     0.00000   -0.01739    1.17373
  1 Pt    0.00000   -0.00256   -0.37477
  2 Pt    0.00000   -0.01907   -0.43436
  3 O    -1.68287    0.00019   -0.71877
  4 O     1.68287    0.00019   -0.71877
  5 O     0.00000   -0.01177   -1.38635
  6 O     0.00000   -0.00262    1.76826
  7 Pt   -0.00000    0.01396    0.45171
  8 Pt    0.00000   -0.03959    0.75242
  9 O    -1.58076    0.00061    0.05180
 10 O     1.58076    0.00061    0.05180
 11 O     0.00000   -0.00886   -0.56619
 12 O    -0.00000    0.00968    0.13870
 13 Pt   -0.00000    0.28663   -0.03727
 14 Pt    0.00000   -0.01978    0.00909
 15 O    -0.00104    0.01038    0.00396
 16 O     0.00104    0.01038    0.00396
 17 O    -0.00000    0.01965   -1.07199
 18 O    -0.00000    0.00226    0.02517
 19 Pt    0.00000   -0.02458    0.12827
 20 Pt    0.00000   -0.06780    0.14741
 21 O    -0.21295    0.38574    0.22240
 22 O     0.21295    0.38574    0.22240
 23 O     0.00000   -0.01724   -0.08868
 24 O     0.00000   -0.00099    1.14965
 25 Pt   -0.00000    0.01693   -0.37788
 26 Pt    0.00000   -0.00007   -0.43507
 27 O    -1.69144    0.01342   -0.71803
 28 O     1.69144    0.01342   -0.71803
 29 O    -0.00000    0.04577   -1.38803
 30 O     0.00000   -0.00467    1.83360
 31 Pt   -0.00000    0.01916    0.51126
 32 Pt    0.00000   -0.14149    0.57753
 33 O    -1.61406   -0.01908    0.07085
 34 O     1.61406   -0.01908    0.07085
 35 O     0.00000   -0.03247   -0.52507
 36 O    -0.00000    0.22056   -0.11649
 37 Pt    0.00000   -0.32650   -0.03986
 38 Pt    0.00000   -0.00403   -0.01050
 39 O     0.00980    0.01136    0.01632
 40 O    -0.00980    0.01136    0.01632
 41 O     0.00000   -0.00152    0.01546
 42 O    -0.00000    0.03210   -0.01746
 43 Pt    0.00000   -0.00562    0.07362
 44 Pt    0.00000   -0.08984    0.00842
 45 O    -0.18249   -0.38662    0.14847
 46 O     0.18249   -0.38662    0.14847
 47 O     0.00000   -0.02114   -0.05913
 48 O    -0.00000    0.02224    1.17164
 49 Pt    0.00000   -0.02244   -0.37695
 50 Pt   -0.00000    0.02106   -0.43633
 51 O    -1.69081   -0.01393   -0.71829
 52 O     1.69081   -0.01393   -0.71829
 53 O     0.00000   -0.01128   -1.40551
 54 O     0.00000   -0.00196    1.77570
 55 Pt    0.00000   -0.01222    0.51714
 56 Pt   -0.00000    0.12263    0.65337
 57 O    -1.61386    0.01375    0.09164
 58 O     1.61386    0.01375    0.09164
 59 O     0.00000   -0.02121   -0.51639
 60 O     0.00000   -0.21097   -0.11560
 61 Pt   -0.00000    0.01497   -0.09352
 62 Pt   -0.00000    0.01733   -0.00647
 63 O    -0.01536   -0.00755    0.00355
 64 O     0.01536   -0.00755    0.00355
 65 O     0.00000    0.00056    0.00342
 66 O     0.00000   -0.01285   -0.00434
 67 Pt   -0.00000    0.00721    0.02611
 68 Pt   -0.00000    0.15253    0.01914
 69 O    -0.00981    0.00090   -0.03110
 70 O     0.00981    0.00090   -0.03110
 71 O    -0.00000    0.00790   -0.05299
 72 N     0.00000   -0.04941    0.27953
 73 N     0.00000   -0.01500    0.22265

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    3.412869   24.172109    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.319957   24.003145    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:51:23  -3.06   +inf  -414.167298    3      1      
iter:   2  00:53:31  -3.63  -3.07  -414.500143    3      1      
iter:   3  00:55:37  -3.99  -2.34  -414.162602    2      1      
iter:   4  00:57:48  -4.62  -3.69  -414.160071    3      1      
iter:   5  00:59:59  -5.00  -3.93  -414.160813    2      1      
iter:   6  01:02:08  -4.89  -4.05  -414.159850    3      1      
iter:   7  01:04:16  -5.05  -4.23  -414.159893    3      1      
iter:   8  01:06:24  -5.70  -4.41  -414.159980    2      1      
iter:   9  01:08:30  -6.28  -4.65  -414.159762    2      1      
iter:  10  01:10:32  -6.86  -4.28  -414.160253    2      1      
iter:  11  01:12:35  -7.05  -4.59  -414.159855    2      1      
iter:  12  01:14:39  -7.07  -4.57  -414.160003    2      1      
iter:  13  01:16:45  -7.29  -4.91  -414.160022    2      1      
iter:  14  01:18:51  -7.59  -4.98  -414.160029    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962823, -32.533931, 0.031836) |e|*Ang

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

Kinetic:        +18.638486
Potential:     -137.340492
External:        +0.000000
XC:            -305.172552
Entropy (-ST):   -1.565901
Local:          +10.497480
--------------------------
Free energy:   -414.942979
Extrapolated:  -414.160029

Fermi level: -6.50773

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57628    0.14777
  0   340     -6.56208    0.14058
  0   341     -6.56107    0.14006
  0   342     -6.53126    0.12412

  1   339     -6.48233    0.19415
  1   340     -6.43398    0.14380
  1   341     -6.39977    0.11270
  1   342     -6.39216    0.10642



Forces in eV/Ang:
  0 O     0.00000   -0.01741    1.17370
  1 Pt    0.00000   -0.00256   -0.37503
  2 Pt    0.00000   -0.01908   -0.43493
  3 O    -1.68284    0.00017   -0.71885
  4 O     1.68284    0.00017   -0.71885
  5 O     0.00000   -0.01174   -1.38636
  6 O     0.00000   -0.00259    1.76840
  7 Pt   -0.00000    0.01400    0.45193
  8 Pt    0.00000   -0.03961    0.75238
  9 O    -1.58066    0.00069    0.05198
 10 O     1.58066    0.00069    0.05198
 11 O     0.00000   -0.00886   -0.56622
 12 O    -0.00000    0.00975    0.13862
 13 Pt   -0.00000    0.28789   -0.03727
 14 Pt    0.00000   -0.01992    0.00887
 15 O    -0.00116    0.01032    0.00395
 16 O     0.00116    0.01032    0.00395
 17 O    -0.00000    0.01985   -1.07653
 18 O    -0.00000    0.00214    0.02501
 19 Pt    0.00000   -0.02473    0.13040
 20 Pt    0.00000   -0.06909    0.14999
 21 O    -0.21352    0.38723    0.22388
 22 O     0.21352    0.38723    0.22388
 23 O     0.00000   -0.01708   -0.08810
 24 O     0.00000   -0.00095    1.14961
 25 Pt   -0.00000    0.01697   -0.37809
 26 Pt    0.00000   -0.00004   -0.43573
 27 O    -1.69140    0.01344   -0.71811
 28 O     1.69140    0.01344   -0.71811
 29 O    -0.00000    0.04567   -1.38820
 30 O     0.00000   -0.00476    1.83359
 31 Pt   -0.00000    0.01912    0.51149
 32 Pt    0.00000   -0.14131    0.57796
 33 O    -1.61396   -0.01914    0.07101
 34 O     1.61396   -0.01914    0.07101
 35 O     0.00000   -0.03249   -0.52502
 36 O    -0.00000    0.22125   -0.11689
 37 Pt    0.00000   -0.32801   -0.04022
 38 Pt    0.00000   -0.00372   -0.01060
 39 O     0.00972    0.01141    0.01627
 40 O    -0.00972    0.01141    0.01627
 41 O     0.00000   -0.00102    0.01543
 42 O    -0.00000    0.03243   -0.01770
 43 Pt    0.00000   -0.00543    0.07760
 44 Pt    0.00000   -0.09038    0.01082
 45 O    -0.18552   -0.38920    0.15522
 46 O     0.18552   -0.38920    0.15522
 47 O     0.00000   -0.02127   -0.05884
 48 O    -0.00000    0.02223    1.17160
 49 Pt    0.00000   -0.02247   -0.37726
 50 Pt   -0.00000    0.02103   -0.43705
 51 O    -1.69082   -0.01392   -0.71838
 52 O     1.69082   -0.01392   -0.71838
 53 O     0.00000   -0.01122   -1.40561
 54 O     0.00000   -0.00190    1.77566
 55 Pt    0.00000   -0.01223    0.51744
 56 Pt   -0.00000    0.12247    0.65373
 57 O    -1.61375    0.01373    0.09185
 58 O     1.61375    0.01373    0.09185
 59 O     0.00000   -0.02121   -0.51632
 60 O     0.00000   -0.21169   -0.11562
 61 Pt   -0.00000    0.01519   -0.09400
 62 Pt   -0.00000    0.01715   -0.00640
 63 O    -0.01552   -0.00753    0.00361
 64 O     0.01552   -0.00753    0.00361
 65 O     0.00000    0.00044    0.00278
 66 O     0.00000   -0.01306   -0.00460
 67 Pt   -0.00000    0.00722    0.02730
 68 Pt   -0.00000    0.15273    0.02118
 69 O    -0.00964    0.00070   -0.03020
 70 O     0.00964    0.00070   -0.03020
 71 O    -0.00000    0.00785   -0.05271
 72 N     0.00000   -0.13874    0.30938
 73 N    -0.00000    0.05752    0.13748

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    3.410004   24.181341    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.316362   24.020195    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:29:19  -3.15   +inf  -414.168561    3      1      
iter:   2  01:31:26  -3.80  -3.19  -414.355768    3      1      
iter:   3  01:33:34  -4.15  -2.47  -414.166390    2      1      
iter:   4  01:35:41  -4.74  -3.84  -414.164688    3      1      
iter:   5  01:37:50  -5.07  -4.06  -414.165671    2      1      
iter:   6  01:39:59  -4.98  -3.98  -414.164890    3      1      
iter:   7  01:42:06  -5.19  -4.21  -414.164876    3      1      
iter:   8  01:44:11  -5.75  -4.44  -414.164967    2      1      
iter:   9  01:46:17  -6.41  -4.68  -414.164799    2      1      
iter:  10  01:48:23  -6.77  -4.34  -414.165115    2      1      
iter:  11  01:50:30  -7.02  -4.71  -414.164711    2      1      
iter:  12  01:52:33  -7.17  -4.53  -414.164960    2      1      
iter:  13  01:54:39  -7.52  -4.92  -414.164944    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962864, -32.532147, 0.030361) |e|*Ang

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

Kinetic:        +18.652639
Potential:     -137.358452
External:        +0.000000
XC:            -305.172900
Entropy (-ST):   -1.566017
Local:          +10.496778
--------------------------
Free energy:   -414.947952
Extrapolated:  -414.164944

Fermi level: -6.50894

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57731    0.14768
  0   340     -6.56325    0.14056
  0   341     -6.56225    0.14005
  0   342     -6.53258    0.12418

  1   339     -6.48355    0.19417
  1   340     -6.43515    0.14376
  1   341     -6.40094    0.11267
  1   342     -6.39374    0.10672



Forces in eV/Ang:
  0 O     0.00000   -0.01742    1.17354
  1 Pt    0.00000   -0.00261   -0.37504
  2 Pt    0.00000   -0.01908   -0.43509
  3 O    -1.68283    0.00014   -0.71902
  4 O     1.68283    0.00014   -0.71902
  5 O     0.00000   -0.01171   -1.38640
  6 O     0.00000   -0.00260    1.76861
  7 Pt   -0.00000    0.01393    0.45205
  8 Pt    0.00000   -0.03967    0.75256
  9 O    -1.58079    0.00064    0.05204
 10 O     1.58079    0.00064    0.05204
 11 O     0.00000   -0.00884   -0.56653
 12 O    -0.00000    0.00971    0.13883
 13 Pt   -0.00000    0.28974   -0.03731
 14 Pt    0.00000   -0.01991    0.00913
 15 O    -0.00106    0.01036    0.00398
 16 O     0.00106    0.01036    0.00398
 17 O    -0.00000    0.02007   -1.08352
 18 O    -0.00000    0.00205    0.02527
 19 Pt    0.00000   -0.02462    0.13142
 20 Pt    0.00000   -0.07010    0.15241
 21 O    -0.21333    0.38800    0.22542
 22 O     0.21333    0.38800    0.22542
 23 O     0.00000   -0.01681   -0.08781
 24 O     0.00000   -0.00093    1.14945
 25 Pt   -0.00000    0.01704   -0.37809
 26 Pt    0.00000   -0.00000   -0.43597
 27 O    -1.69138    0.01347   -0.71829
 28 O     1.69138    0.01347   -0.71829
 29 O    -0.00000    0.04556   -1.38837
 30 O     0.00000   -0.00482    1.83368
 31 Pt   -0.00000    0.01918    0.51163
 32 Pt    0.00000   -0.14110    0.57839
 33 O    -1.61406   -0.01912    0.07108
 34 O     1.61406   -0.01912    0.07108
 35 O     0.00000   -0.03256   -0.52530
 36 O    -0.00000    0.22208   -0.11756
 37 Pt    0.00000   -0.32984   -0.04046
 38 Pt    0.00000   -0.00373   -0.01050
 39 O     0.00985    0.01142    0.01627
 40 O    -0.00985    0.01142    0.01627
 41 O     0.00000   -0.00092    0.01518
 42 O    -0.00000    0.03259   -0.01751
 43 Pt    0.00000   -0.00532    0.08051
 44 Pt    0.00000   -0.09069    0.01330
 45 O    -0.18702   -0.39079    0.16121
 46 O     0.18702   -0.39079    0.16121
 47 O     0.00000   -0.02160   -0.05872
 48 O    -0.00000    0.02223    1.17143
 49 Pt    0.00000   -0.02249   -0.37727
 50 Pt   -0.00000    0.02099   -0.43731
 51 O    -1.69083   -0.01392   -0.71854
 52 O     1.69083   -0.01392   -0.71854
 53 O     0.00000   -0.01114   -1.40570
 54 O     0.00000   -0.00183    1.77579
 55 Pt    0.00000   -0.01222    0.51751
 56 Pt   -0.00000    0.12233    0.65405
 57 O    -1.61389    0.01374    0.09181
 58 O     1.61389    0.01374    0.09181
 59 O     0.00000   -0.02115   -0.51660
 60 O     0.00000   -0.21248   -0.11630
 61 Pt   -0.00000    0.01512   -0.09456
 62 Pt   -0.00000    0.01717   -0.00630
 63 O    -0.01559   -0.00758    0.00358
 64 O     0.01559   -0.00758    0.00358
 65 O     0.00000    0.00061    0.00249
 66 O     0.00000   -0.01309   -0.00444
 67 Pt   -0.00000    0.00709    0.02782
 68 Pt   -0.00000    0.15287    0.02286
 69 O    -0.00931    0.00050   -0.02890
 70 O     0.00931    0.00050   -0.02890
 71 O    -0.00000    0.00797   -0.05260
 72 N     0.00000   -0.06734    0.30791
 73 N     0.00000   -0.00769    0.08236

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    3.408039   24.190241    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.312649   24.037812    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:08:12  -3.13   +inf  -414.176377    3      1      
iter:   2  02:10:23  -3.64  -3.07  -414.519091    3      1      
iter:   3  02:12:32  -3.95  -2.34  -414.170584    2      1      
iter:   4  02:14:43  -4.59  -3.70  -414.168510    3      1      
iter:   5  02:16:50  -4.93  -4.02  -414.169581    3      1      
iter:   6  02:18:57  -4.93  -3.99  -414.168246    3      1      
iter:   7  02:21:02  -5.05  -4.30  -414.168319    2      1      
iter:   8  02:23:08  -5.65  -4.44  -414.168420    2      1      
iter:   9  02:25:12  -6.22  -4.59  -414.168265    2      1      
iter:  10  02:27:18  -6.85  -4.32  -414.168556    2      1      
iter:  11  02:29:25  -7.05  -4.70  -414.168263    2      1      
iter:  12  02:31:30  -6.97  -4.63  -414.168475    2      1      
iter:  13  02:33:36  -7.20  -4.84  -414.168481    2      1      
iter:  14  02:35:43  -7.49  -4.96  -414.168491    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962859, -32.530280, 0.028907) |e|*Ang

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

Kinetic:        +18.593917
Potential:     -137.327973
External:        +0.000000
XC:            -305.147790
Entropy (-ST):   -1.565961
Local:          +10.496336
--------------------------
Free energy:   -414.951472
Extrapolated:  -414.168491

Fermi level: -6.51019

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57838    0.14759
  0   340     -6.56449    0.14056
  0   341     -6.56351    0.14005
  0   342     -6.53390    0.12422

  1   339     -6.48469    0.19404
  1   340     -6.43640    0.14376
  1   341     -6.40217    0.11265
  1   342     -6.39530    0.10698



Forces in eV/Ang:
  0 O     0.00000   -0.01743    1.17387
  1 Pt    0.00000   -0.00262   -0.37498
  2 Pt    0.00000   -0.01908   -0.43442
  3 O    -1.68302    0.00017   -0.71860
  4 O     1.68302    0.00017   -0.71860
  5 O     0.00000   -0.01169   -1.38623
  6 O     0.00000   -0.00261    1.76760
  7 Pt   -0.00000    0.01391    0.45184
  8 Pt    0.00000   -0.03973    0.75242
  9 O    -1.58069    0.00062    0.05215
 10 O     1.58069    0.00062    0.05215
 11 O     0.00000   -0.00885   -0.56620
 12 O    -0.00000    0.00976    0.13885
 13 Pt   -0.00000    0.29084   -0.03678
 14 Pt    0.00000   -0.01994    0.00936
 15 O    -0.00099    0.01031    0.00432
 16 O     0.00099    0.01031    0.00432
 17 O    -0.00000    0.02040   -1.08852
 18 O    -0.00000    0.00204    0.02544
 19 Pt    0.00000   -0.02466    0.13049
 20 Pt    0.00000   -0.07161    0.14720
 21 O    -0.21441    0.38957    0.22414
 22 O     0.21441    0.38957    0.22414
 23 O     0.00000   -0.01721   -0.08916
 24 O     0.00000   -0.00096    1.14978
 25 Pt   -0.00000    0.01706   -0.37800
 26 Pt    0.00000   -0.00005   -0.43523
 27 O    -1.69157    0.01343   -0.71785
 28 O     1.69157    0.01343   -0.71785
 29 O    -0.00000    0.04549   -1.38827
 30 O     0.00000   -0.00475    1.83292
 31 Pt   -0.00000    0.01921    0.51142
 32 Pt    0.00000   -0.14078    0.57857
 33 O    -1.61394   -0.01910    0.07118
 34 O     1.61394   -0.01910    0.07118
 35 O     0.00000   -0.03250   -0.52500
 36 O    -0.00000    0.22279   -0.11799
 37 Pt    0.00000   -0.33115   -0.04004
 38 Pt    0.00000   -0.00373   -0.01030
 39 O     0.00993    0.01148    0.01669
 40 O    -0.00993    0.01148    0.01669
 41 O     0.00000   -0.00076    0.01664
 42 O    -0.00000    0.03274   -0.01755
 43 Pt    0.00000   -0.00525    0.08001
 44 Pt    0.00000   -0.09041    0.00880
 45 O    -0.18972   -0.39334    0.16395
 46 O     0.18972   -0.39334    0.16395
 47 O     0.00000   -0.02119   -0.06039
 48 O    -0.00000    0.02226    1.17176
 49 Pt    0.00000   -0.02250   -0.37718
 50 Pt   -0.00000    0.02104   -0.43659
 51 O    -1.69100   -0.01392   -0.71810
 52 O     1.69100   -0.01392   -0.71810
 53 O     0.00000   -0.01108   -1.40556
 54 O     0.00000   -0.00188    1.77506
 55 Pt    0.00000   -0.01223    0.51738
 56 Pt   -0.00000    0.12208    0.65415
 57 O    -1.61381    0.01375    0.09191
 58 O     1.61381    0.01375    0.09191
 59 O     0.00000   -0.02120   -0.51626
 60 O     0.00000   -0.21324   -0.11646
 61 Pt   -0.00000    0.01530   -0.09426
 62 Pt   -0.00000    0.01718   -0.00605
 63 O    -0.01547   -0.00757    0.00394
 64 O     0.01547   -0.00757    0.00394
 65 O     0.00000    0.00073    0.00321
 66 O     0.00000   -0.01320   -0.00454
 67 Pt   -0.00000    0.00709    0.02629
 68 Pt   -0.00000    0.15270    0.01935
 69 O    -0.00998    0.00043   -0.03105
 70 O     0.00998    0.00043   -0.03105
 71 O    -0.00000    0.00795   -0.05396
 72 N     0.00000   -0.11191    0.23340
 73 N    -0.00000    0.02135    0.16131

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.404678   24.199513    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.308346   24.057256    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:49:30  -3.05   +inf  -414.174005    3      1      
iter:   2  02:51:40  -3.79  -3.29  -414.291330    3      1      
iter:   3  02:53:49  -4.17  -2.57  -414.175153    3      1      
iter:   4  02:55:58  -4.69  -3.84  -414.173004    3      1      
iter:   5  02:58:07  -4.96  -3.92  -414.173290    2      1      
iter:   6  03:00:15  -4.85  -3.96  -414.173242    3      1      
iter:   7  03:02:21  -5.20  -4.31  -414.172972    2      1      
iter:   8  03:04:27  -5.64  -4.33  -414.173147    2      1      
iter:   9  03:06:32  -6.19  -4.59  -414.173005    2      1      
iter:  10  03:08:37  -6.59  -4.76  -414.173265    2      1      
iter:  11  03:10:42  -7.01  -4.53  -414.173073    2      1      
iter:  12  03:12:48  -7.32  -4.53  -414.173077    2      1      
iter:  13  03:14:55  -7.51  -5.04  -414.173136    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962918, -32.528083, 0.026596) |e|*Ang

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

Kinetic:        +18.613834
Potential:     -137.353157
External:        +0.000000
XC:            -305.146185
Entropy (-ST):   -1.566028
Local:          +10.495385
--------------------------
Free energy:   -414.956150
Extrapolated:  -414.173136

Fermi level: -6.51204

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58002    0.14749
  0   340     -6.56633    0.14055
  0   341     -6.56538    0.14006
  0   342     -6.53590    0.12430

  1   339     -6.48654    0.19403
  1   340     -6.43824    0.14375
  1   341     -6.40402    0.11265
  1   342     -6.39753    0.10728



Forces in eV/Ang:
  0 O     0.00000   -0.01744    1.17399
  1 Pt    0.00000   -0.00262   -0.37489
  2 Pt    0.00000   -0.01909   -0.43450
  3 O    -1.68280    0.00011   -0.71892
  4 O     1.68280    0.00011   -0.71892
  5 O     0.00000   -0.01167   -1.38647
  6 O     0.00000   -0.00260    1.76871
  7 Pt   -0.00000    0.01407    0.45142
  8 Pt    0.00000   -0.03976    0.75174
  9 O    -1.58070    0.00079    0.05143
 10 O     1.58070    0.00079    0.05143
 11 O     0.00000   -0.00886   -0.56680
 12 O    -0.00000    0.00981    0.13820
 13 Pt   -0.00000    0.29217   -0.03773
 14 Pt    0.00000   -0.02004    0.00877
 15 O    -0.00125    0.01030    0.00346
 16 O     0.00125    0.01030    0.00346
 17 O    -0.00000    0.02033   -1.09277
 18 O    -0.00000    0.00199    0.02521
 19 Pt    0.00000   -0.02475    0.13276
 20 Pt    0.00000   -0.07122    0.15573
 21 O    -0.21440    0.39103    0.22663
 22 O     0.21440    0.39103    0.22663
 23 O     0.00000   -0.01651   -0.08794
 24 O     0.00000   -0.00090    1.14989
 25 Pt   -0.00000    0.01710   -0.37791
 26 Pt   -0.00000    0.00004   -0.43549
 27 O    -1.69134    0.01349   -0.71818
 28 O     1.69134    0.01349   -0.71818
 29 O    -0.00000    0.04542   -1.38867
 30 O     0.00000   -0.00484    1.83347
 31 Pt   -0.00000    0.01907    0.51104
 32 Pt    0.00000   -0.14070    0.57836
 33 O    -1.61394   -0.01924    0.07046
 34 O     1.61394   -0.01924    0.07046
 35 O     0.00000   -0.03256   -0.52555
 36 O    -0.00000    0.22334   -0.11872
 37 Pt    0.00000   -0.33267   -0.04146
 38 Pt    0.00000   -0.00342   -0.01048
 39 O     0.00972    0.01149    0.01571
 40 O    -0.00972    0.01149    0.01571
 41 O     0.00000    0.00007    0.01578
 42 O    -0.00000    0.03318   -0.01787
 43 Pt    0.00000   -0.00505    0.08536
 44 Pt    0.00000   -0.09209    0.01550
 45 O    -0.19253   -0.39584    0.17263
 46 O     0.19253   -0.39584    0.17263
 47 O     0.00000   -0.02170   -0.05969
 48 O    -0.00000    0.02222    1.17188
 49 Pt    0.00000   -0.02253   -0.37720
 50 Pt   -0.00000    0.02096   -0.43689
 51 O    -1.69085   -0.01391   -0.71842
 52 O     1.69085   -0.01391   -0.71842
 53 O     0.00000   -0.01104   -1.40584
 54 O     0.00000   -0.00180    1.77556
 55 Pt    0.00000   -0.01224    0.51693
 56 Pt   -0.00000    0.12203    0.65382
 57 O    -1.61379    0.01372    0.09120
 58 O     1.61379    0.01372    0.09120
 59 O     0.00000   -0.02114   -0.51681
 60 O     0.00000   -0.21382   -0.11687
 61 Pt   -0.00000    0.01546   -0.09558
 62 Pt   -0.00000    0.01698   -0.00605
 63 O    -0.01572   -0.00758    0.00328
 64 O     0.01572   -0.00758    0.00328
 65 O     0.00000    0.00044    0.00180
 66 O     0.00000   -0.01352   -0.00486
 67 Pt   -0.00000    0.00706    0.02746
 68 Pt   -0.00000    0.15285    0.02282
 69 O    -0.00912    0.00020   -0.02920
 70 O     0.00912    0.00020   -0.02920
 71 O    -0.00000    0.00777   -0.05348
 72 N     0.00000   -0.04177    0.25561
 73 N    -0.00000    0.04416    0.12875

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.402633   24.208413    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.304906   24.076557    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:27:18  -3.07   +inf  -414.182578    3      1      
iter:   2  03:29:29  -3.65  -3.10  -414.466022    3      1      
iter:   3  03:31:39  -3.99  -2.38  -414.180070    2      1      
iter:   4  03:33:45  -4.58  -3.72  -414.177305    3      1      
iter:   5  03:35:54  -4.91  -3.87  -414.177655    2      1      
iter:   6  03:38:03  -4.88  -4.06  -414.177212    3      1      
iter:   7  03:40:12  -5.00  -4.26  -414.177095    3      1      
iter:   8  03:42:16  -5.53  -4.36  -414.177223    2      1      
iter:   9  03:44:21  -6.18  -4.64  -414.177103    2      1      
iter:  10  03:46:30  -6.60  -4.68  -414.177370    2      1      
iter:  11  03:48:35  -6.88  -4.67  -414.177041    2      1      
iter:  12  03:50:40  -7.05  -4.52  -414.177248    2      1      
iter:  13  03:52:46  -7.35  -4.81  -414.177267    1      1      
iter:  14  03:54:50  -7.60  -5.01  -414.177229    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962926, -32.526268, 0.025554) |e|*Ang

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

Kinetic:        +18.597260
Potential:     -137.353376
External:        +0.000000
XC:            -305.132808
Entropy (-ST):   -1.566156
Local:          +10.494773
--------------------------
Free energy:   -414.960307
Extrapolated:  -414.177229

Fermi level: -6.51298

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58081    0.14741
  0   340     -6.56722    0.14052
  0   341     -6.56627    0.14004
  0   342     -6.53695    0.12436

  1   339     -6.48748    0.19404
  1   340     -6.43913    0.14370
  1   341     -6.40494    0.11264
  1   342     -6.39881    0.10756



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17372
  1 Pt    0.00000   -0.00263   -0.37491
  2 Pt    0.00000   -0.01908   -0.43458
  3 O    -1.68290    0.00019   -0.71881
  4 O     1.68290    0.00019   -0.71881
  5 O     0.00000   -0.01167   -1.38635
  6 O     0.00000   -0.00266    1.76800
  7 Pt   -0.00000    0.01396    0.45195
  8 Pt    0.00000   -0.03988    0.75253
  9 O    -1.58089    0.00064    0.05200
 10 O     1.58089    0.00064    0.05200
 11 O     0.00000   -0.00886   -0.56623
 12 O    -0.00000    0.00980    0.13912
 13 Pt   -0.00000    0.29404   -0.03704
 14 Pt    0.00000   -0.01989    0.00916
 15 O    -0.00107    0.01061    0.00422
 16 O     0.00107    0.01061    0.00422
 17 O    -0.00000    0.02060   -1.10154
 18 O    -0.00000    0.00202    0.02565
 19 Pt    0.00000   -0.02457    0.13224
 20 Pt    0.00000   -0.07368    0.14855
 21 O    -0.21478    0.39146    0.22595
 22 O     0.21478    0.39146    0.22595
 23 O     0.00000   -0.01710   -0.08876
 24 O     0.00000   -0.00093    1.14960
 25 Pt   -0.00000    0.01711   -0.37794
 26 Pt    0.00000   -0.00002   -0.43544
 27 O    -1.69145    0.01342   -0.71810
 28 O     1.69145    0.01342   -0.71810
 29 O    -0.00000    0.04539   -1.38856
 30 O     0.00000   -0.00460    1.83324
 31 Pt   -0.00000    0.01917    0.51163
 32 Pt    0.00000   -0.14017    0.57931
 33 O    -1.61410   -0.01911    0.07107
 34 O     1.61410   -0.01911    0.07107
 35 O     0.00000   -0.03248   -0.52525
 36 O    -0.00000    0.22437   -0.11903
 37 Pt    0.00000   -0.33456   -0.04080
 38 Pt    0.00000   -0.00387   -0.01054
 39 O     0.00986    0.01125    0.01662
 40 O    -0.00986    0.01125    0.01662
 41 O     0.00000   -0.00020    0.01654
 42 O    -0.00000    0.03320   -0.01757
 43 Pt    0.00000   -0.00507    0.08440
 44 Pt    0.00000   -0.09036    0.00986
 45 O    -0.19302   -0.39706    0.17315
 46 O     0.19302   -0.39706    0.17315
 47 O     0.00000   -0.02125   -0.06054
 48 O    -0.00000    0.02226    1.17158
 49 Pt    0.00000   -0.02254   -0.37706
 50 Pt   -0.00000    0.02102   -0.43683
 51 O    -1.69089   -0.01393   -0.71828
 52 O     1.69089   -0.01393   -0.71828
 53 O     0.00000   -0.01102   -1.40569
 54 O     0.00000   -0.00198    1.77547
 55 Pt    0.00000   -0.01223    0.51735
 56 Pt   -0.00000    0.12162    0.65461
 57 O    -1.61403    0.01375    0.09164
 58 O     1.61403    0.01375    0.09164
 59 O     0.00000   -0.02122   -0.51652
 60 O     0.00000   -0.21483   -0.11725
 61 Pt   -0.00000    0.01549   -0.09534
 62 Pt   -0.00000    0.01728   -0.00618
 63 O    -0.01548   -0.00767    0.00386
 64 O     0.01548   -0.00767    0.00386
 65 O     0.00000    0.00078    0.00274
 66 O     0.00000   -0.01355   -0.00460
 67 Pt   -0.00000    0.00703    0.02683
 68 Pt   -0.00000    0.15249    0.02087
 69 O    -0.00993    0.00022   -0.03006
 70 O     0.00993    0.00022   -0.03006
 71 O    -0.00000    0.00794   -0.05386
 72 N     0.00000   -0.07460    0.27311
 73 N    -0.00000    0.03797    0.09442

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.399883   24.217465    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.301012   24.096696    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:03:56  -3.04   +inf  -414.183167    3      1      
iter:   2  04:06:03  -3.80  -3.32  -414.282273    3      1      
iter:   3  04:08:11  -4.20  -2.60  -414.181316    2      1      
iter:   4  04:10:16  -4.70  -3.87  -414.181957    2      1      
iter:   5  04:12:21  -4.88  -4.05  -414.179960    3      1      
iter:   6  04:14:29  -4.85  -3.93  -414.181120    3      1      
iter:   7  04:16:33  -5.21  -4.19  -414.180833    2      1      
iter:   8  04:18:38  -5.63  -4.50  -414.180951    2      1      
iter:   9  04:20:45  -6.13  -4.66  -414.180968    2      1      
iter:  10  04:22:53  -6.56  -4.63  -414.180840    2      1      
iter:  11  04:24:59  -6.95  -4.30  -414.180961    2      1      
iter:  12  04:27:05  -7.20  -4.89  -414.180879    2      1      
iter:  13  04:29:13  -7.54  -4.89  -414.181051    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962969, -32.524363, 0.024250) |e|*Ang

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

Kinetic:        +18.583561
Potential:     -137.352988
External:        +0.000000
XC:            -305.123325
Entropy (-ST):   -1.565939
Local:          +10.494670
--------------------------
Free energy:   -414.964020
Extrapolated:  -414.181051

Fermi level: -6.51431

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58193    0.14731
  0   340     -6.56851    0.14051
  0   341     -6.56759    0.14003
  0   342     -6.53837    0.12441

  1   339     -6.48859    0.19379
  1   340     -6.44047    0.14371
  1   341     -6.40623    0.11260
  1   342     -6.40042    0.10779



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17407
  1 Pt    0.00000   -0.00265   -0.37578
  2 Pt    0.00000   -0.01907   -0.43515
  3 O    -1.68369    0.00019   -0.71892
  4 O     1.68369    0.00019   -0.71892
  5 O     0.00000   -0.01165   -1.38652
  6 O     0.00000   -0.00267    1.76567
  7 Pt   -0.00000    0.01402    0.45084
  8 Pt    0.00000   -0.03994    0.75149
  9 O    -1.58062    0.00068    0.05156
 10 O     1.58062    0.00068    0.05156
 11 O     0.00000   -0.00887   -0.56648
 12 O    -0.00000    0.00990    0.13853
 13 Pt   -0.00000    0.29523   -0.03728
 14 Pt    0.00000   -0.01996    0.00935
 15 O    -0.00095    0.01059    0.00374
 16 O     0.00095    0.01059    0.00374
 17 O    -0.00000    0.02046   -1.10535
 18 O    -0.00000    0.00197    0.02577
 19 Pt    0.00000   -0.02439    0.13423
 20 Pt    0.00000   -0.07259    0.15773
 21 O    -0.21497    0.39285    0.22755
 22 O     0.21497    0.39285    0.22755
 23 O     0.00000   -0.01662   -0.08858
 24 O     0.00000   -0.00091    1.14995
 25 Pt   -0.00000    0.01715   -0.37878
 26 Pt    0.00000   -0.00002   -0.43602
 27 O    -1.69225    0.01342   -0.71821
 28 O     1.69225    0.01342   -0.71821
 29 O    -0.00000    0.04533   -1.38875
 30 O     0.00000   -0.00458    1.83088
 31 Pt   -0.00000    0.01913    0.51054
 32 Pt    0.00000   -0.13993    0.57854
 33 O    -1.61380   -0.01915    0.07063
 34 O     1.61380   -0.01915    0.07063
 35 O     0.00000   -0.03247   -0.52552
 36 O    -0.00000    0.22472   -0.11970
 37 Pt    0.00000   -0.33594   -0.04143
 38 Pt    0.00000   -0.00382   -0.01009
 39 O     0.00999    0.01130    0.01604
 40 O    -0.00999    0.01130    0.01604
 41 O     0.00000    0.00045    0.01736
 42 O    -0.00000    0.03360   -0.01765
 43 Pt    0.00000   -0.00515    0.08911
 44 Pt    0.00000   -0.09192    0.01505
 45 O    -0.19552   -0.39937    0.17993
 46 O     0.19552   -0.39937    0.17993
 47 O     0.00000   -0.02162   -0.06079
 48 O    -0.00000    0.02224    1.17194
 49 Pt    0.00000   -0.02256   -0.37795
 50 Pt   -0.00000    0.02100   -0.43742
 51 O    -1.69169   -0.01393   -0.71837
 52 O     1.69169   -0.01393   -0.71837
 53 O     0.00000   -0.01098   -1.40574
 54 O     0.00000   -0.00199    1.77317
 55 Pt    0.00000   -0.01224    0.51620
 56 Pt   -0.00000    0.12143    0.65371
 57 O    -1.61377    0.01375    0.09117
 58 O     1.61377    0.01375    0.09117
 59 O     0.00000   -0.02123   -0.51683
 60 O     0.00000   -0.21527   -0.11761
 61 Pt   -0.00000    0.01569   -0.09574
 62 Pt   -0.00000    0.01729   -0.00561
 63 O    -0.01526   -0.00768    0.00346
 64 O     0.01526   -0.00768    0.00346
 65 O     0.00000    0.00068    0.00317
 66 O     0.00000   -0.01384   -0.00470
 67 Pt   -0.00000    0.00694    0.02787
 68 Pt   -0.00000    0.15240    0.02270
 69 O    -0.00971    0.00010   -0.02932
 70 O     0.00971    0.00010   -0.02932
 71 O    -0.00000    0.00790   -0.05428
 72 N     0.00000   -0.04908    0.19627
 73 N    -0.00000    0.03553    0.02089

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.397547   24.225942    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.297221   24.115981    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:44:18  -3.07   +inf  -414.180675    3      1      
iter:   2  04:46:26  -3.86  -3.28  -414.226300    3      1      
iter:   3  04:48:36  -4.22  -2.87  -414.197538    3      1      
iter:   4  04:50:47  -4.65  -3.10  -414.184915    3      1      
iter:   5  04:52:54  -4.99  -3.89  -414.183959    3      1      
iter:   6  04:54:59  -4.84  -4.07  -414.184341    3      1      
iter:   7  04:57:07  -5.12  -4.10  -414.183924    2      1      
iter:   8  04:59:13  -5.57  -4.39  -414.184000    2      1      
iter:   9  05:01:19  -6.10  -4.65  -414.184194    2      1      
iter:  10  05:03:26  -6.60  -4.52  -414.183792    2      1      
iter:  11  05:05:32  -6.91  -4.61  -414.184045    2      1      
iter:  12  05:07:37  -7.23  -4.90  -414.183981    2      1      
iter:  13  05:09:43  -7.44  -4.90  -414.184090    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962993, -32.522556, 0.021411) |e|*Ang

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

Kinetic:        +18.513048
Potential:     -137.306377
External:        +0.000000
XC:            -305.102128
Entropy (-ST):   -1.566067
Local:          +10.494400
--------------------------
Free energy:   -414.967124
Extrapolated:  -414.184090

Fermi level: -6.51603

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58313    0.14705
  0   340     -6.57046    0.14063
  0   341     -6.56960    0.14018
  0   342     -6.54011    0.12442

  1   339     -6.49052    0.19404
  1   340     -6.44235    0.14387
  1   341     -6.40805    0.11269
  1   342     -6.40235    0.10796



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17399
  1 Pt    0.00000   -0.00270   -0.37466
  2 Pt    0.00000   -0.01908   -0.43399
  3 O    -1.68174    0.00018   -0.71898
  4 O     1.68174    0.00018   -0.71898
  5 O     0.00000   -0.01161   -1.38640
  6 O     0.00000   -0.00263    1.77240
  7 Pt   -0.00000    0.01387    0.45282
  8 Pt    0.00000   -0.03996    0.75290
  9 O    -1.58058    0.00061    0.05132
 10 O     1.58058    0.00061    0.05132
 11 O     0.00000   -0.00885   -0.56635
 12 O    -0.00000    0.00972    0.13903
 13 Pt   -0.00000    0.29703   -0.03550
 14 Pt    0.00000   -0.02003    0.01046
 15 O    -0.00112    0.01045    0.00363
 16 O     0.00112    0.01045    0.00363
 17 O    -0.00000    0.02070   -1.10779
 18 O    -0.00000    0.00189    0.02528
 19 Pt    0.00000   -0.02430    0.13418
 20 Pt    0.00000   -0.07341    0.15244
 21 O    -0.21614    0.39436    0.22747
 22 O     0.21614    0.39436    0.22747
 23 O     0.00000   -0.01658   -0.08915
 24 O     0.00000   -0.00093    1.14986
 25 Pt   -0.00000    0.01721   -0.37763
 26 Pt    0.00000   -0.00005   -0.43489
 27 O    -1.69030    0.01343   -0.71827
 28 O     1.69030    0.01343   -0.71827
 29 O    -0.00000    0.04514   -1.38882
 30 O     0.00000   -0.00478    1.83778
 31 Pt   -0.00000    0.01926    0.51245
 32 Pt    0.00000   -0.13973    0.58033
 33 O    -1.61375   -0.01910    0.07037
 34 O     1.61375   -0.01910    0.07037
 35 O     0.00000   -0.03253   -0.52515
 36 O    -0.00000    0.22596   -0.12032
 37 Pt    0.00000   -0.33764   -0.03963
 38 Pt    0.00000   -0.00360   -0.00953
 39 O     0.00994    0.01144    0.01608
 40 O    -0.00994    0.01144    0.01608
 41 O     0.00000    0.00038    0.02256
 42 O    -0.00000    0.03358   -0.01830
 43 Pt    0.00000   -0.00506    0.09036
 44 Pt    0.00000   -0.09251    0.01462
 45 O    -0.19820   -0.40164    0.18497
 46 O     0.19820   -0.40164    0.18497
 47 O     0.00000   -0.02179   -0.06161
 48 O    -0.00000    0.02228    1.17184
 49 Pt    0.00000   -0.02257   -0.37689
 50 Pt   -0.00000    0.02104   -0.43632
 51 O    -1.68974   -0.01392   -0.71847
 52 O     1.68974   -0.01392   -0.71847
 53 O     0.00000   -0.01083   -1.40587
 54 O     0.00000   -0.00183    1.78007
 55 Pt    0.00000   -0.01222    0.51843
 56 Pt   -0.00000    0.12127    0.65554
 57 O    -1.61375    0.01375    0.09096
 58 O     1.61375    0.01375    0.09096
 59 O     0.00000   -0.02120   -0.51633
 60 O     0.00000   -0.21633   -0.11818
 61 Pt   -0.00000    0.01561   -0.09498
 62 Pt   -0.00000    0.01716   -0.00518
 63 O    -0.01583   -0.00767    0.00322
 64 O     0.01583   -0.00767    0.00322
 65 O     0.00000    0.00090    0.00708
 66 O     0.00000   -0.01375   -0.00543
 67 Pt   -0.00000    0.00682    0.02751
 68 Pt   -0.00000    0.15286    0.02162
 69 O    -0.01035   -0.00016   -0.02979
 70 O     0.01035   -0.00016   -0.02979
 71 O    -0.00000    0.00802   -0.05509
 72 N     0.00000   -0.09108    0.22748
 73 N    -0.00000    0.11998    0.15257

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.396166   24.232655    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.292850   24.131245    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:21:18  -3.22   +inf  -414.350669    3      1      
iter:   2  05:23:27  -2.67  -2.48  -418.946607    3      1      
iter:   3  05:25:35  -3.08  -1.80  -414.255193    3      1      
iter:   4  05:27:45  -3.52  -2.72  -414.193288    3      1      
iter:   5  05:29:57  -4.11  -3.55  -414.188517    3      1      
iter:   6  05:32:05  -4.52  -3.64  -414.187015    3      1      
iter:   7  05:34:10  -4.97  -4.02  -414.186896    2      1      
iter:   8  05:36:17  -5.20  -4.14  -414.186659    3      1      
iter:   9  05:38:25  -5.38  -4.11  -414.186248    2      1      
iter:  10  05:40:32  -5.80  -4.11  -414.186464    2      1      
iter:  11  05:42:36  -6.17  -4.28  -414.186102    2      1      
iter:  12  05:44:41  -6.76  -4.50  -414.186273    2      1      
iter:  13  05:46:46  -6.99  -4.61  -414.186105    2      1      
iter:  14  05:48:53  -6.90  -4.64  -414.186219    2      1      
iter:  15  05:50:54  -6.91  -4.73  -414.186303    2      1      
iter:  16  05:52:50  -7.36  -4.72  -414.186181    2      1      
iter:  17  05:54:47  -7.54  -4.62  -414.186231    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962990, -32.521049, 0.020927) |e|*Ang

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

Kinetic:        +18.210217
Potential:     -137.082628
External:        +0.000000
XC:            -305.024899
Entropy (-ST):   -1.566263
Local:          +10.494210
--------------------------
Free energy:   -414.969362
Extrapolated:  -414.186231

Fermi level: -6.51674

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58410    0.14718
  0   340     -6.57092    0.14050
  0   341     -6.57002    0.14003
  0   342     -6.54103    0.12454

  1   339     -6.49110    0.19389
  1   340     -6.44284    0.14365
  1   341     -6.40875    0.11268
  1   342     -6.40337    0.10821



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17447
  1 Pt    0.00000   -0.00275   -0.37442
  2 Pt    0.00000   -0.01903   -0.43297
  3 O    -1.68317    0.00027   -0.71847
  4 O     1.68317    0.00027   -0.71847
  5 O     0.00000   -0.01161   -1.38624
  6 O     0.00000   -0.00271    1.76784
  7 Pt   -0.00000    0.01384    0.45181
  8 Pt    0.00000   -0.04006    0.75274
  9 O    -1.58092    0.00053    0.05189
 10 O     1.58092    0.00053    0.05189
 11 O     0.00000   -0.00886   -0.56599
 12 O    -0.00000    0.00993    0.13906
 13 Pt   -0.00000    0.29759   -0.03699
 14 Pt    0.00000   -0.01993    0.00941
 15 O    -0.00093    0.01053    0.00393
 16 O     0.00093    0.01053    0.00393
 17 O    -0.00000    0.02052   -1.11747
 18 O    -0.00000    0.00183    0.02671
 19 Pt    0.00000   -0.02409    0.13172
 20 Pt    0.00000   -0.07205    0.15659
 21 O    -0.21544    0.39426    0.22672
 22 O     0.21544    0.39426    0.22672
 23 O     0.00000   -0.01691   -0.09047
 24 O     0.00000   -0.00097    1.15035
 25 Pt   -0.00000    0.01726   -0.37743
 26 Pt    0.00000   -0.00016   -0.43372
 27 O    -1.69176    0.01335   -0.71776
 28 O     1.69176    0.01335   -0.71776
 29 O    -0.00000    0.04511   -1.38855
 30 O     0.00000   -0.00451    1.83381
 31 Pt   -0.00000    0.01930    0.51151
 32 Pt    0.00000   -0.13936    0.58011
 33 O    -1.61402   -0.01907    0.07095
 34 O     1.61402   -0.01907    0.07095
 35 O     0.00000   -0.03244   -0.52502
 36 O    -0.00000    0.22580   -0.12022
 37 Pt    0.00000   -0.33845   -0.04136
 38 Pt    0.00000   -0.00398   -0.01055
 39 O     0.01005    0.01139    0.01631
 40 O    -0.01005    0.01139    0.01631
 41 O     0.00000    0.00061    0.01758
 42 O    -0.00000    0.03378   -0.01713
 43 Pt    0.00000   -0.00520    0.08899
 44 Pt    0.00000   -0.09309    0.01206
 45 O    -0.19867   -0.40224    0.18570
 46 O     0.19867   -0.40224    0.18570
 47 O     0.00000   -0.02163   -0.06313
 48 O    -0.00000    0.02229    1.17234
 49 Pt    0.00000   -0.02257   -0.37654
 50 Pt   -0.00000    0.02110   -0.43507
 51 O    -1.69109   -0.01394   -0.71795
 52 O     1.69109   -0.01394   -0.71795
 53 O     0.00000   -0.01081   -1.40544
 54 O     0.00000   -0.00202    1.77636
 55 Pt    0.00000   -0.01223    0.51732
 56 Pt   -0.00000    0.12099    0.65511
 57 O    -1.61416    0.01381    0.09147
 58 O     1.61416    0.01381    0.09147
 59 O     0.00000   -0.02127   -0.51630
 60 O     0.00000   -0.21641   -0.11794
 61 Pt   -0.00000    0.01583   -0.09599
 62 Pt   -0.00000    0.01743   -0.00603
 63 O    -0.01545   -0.00771    0.00360
 64 O     0.01545   -0.00771    0.00360
 65 O     0.00000    0.00102    0.00243
 66 O     0.00000   -0.01384   -0.00437
 67 Pt   -0.00000    0.00678    0.02458
 68 Pt   -0.00000    0.15217    0.01756
 69 O    -0.01009    0.00000   -0.03105
 70 O     0.01009    0.00000   -0.03105
 71 O    -0.00000    0.00811   -0.05652
 72 N     0.00000   -0.42845    0.15585
 73 N    -0.00000    0.40724    0.09367

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.397065   24.236973    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.303659   24.152471    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:01:15  -2.85   +inf  -414.437189    4      1      
iter:   2  06:03:22  -2.59  -2.45  -418.943638    4      1      
iter:   3  06:05:32  -2.94  -1.81  -414.240595    4      1      
iter:   4  06:07:39  -3.49  -2.68  -414.214985    3      1      
iter:   5  06:09:42  -4.22  -3.04  -414.196108    3      1      
iter:   6  06:11:48  -4.30  -3.30  -414.188648    3      1      
iter:   7  06:13:56  -4.60  -3.65  -414.188577    3      1      
iter:   8  06:16:00  -4.53  -3.44  -414.193385    3      1      
iter:   9  06:18:05  -4.55  -3.28  -414.185126    3      1      
iter:  10  06:20:10  -4.76  -3.90  -414.185510    3      1      
iter:  11  06:22:17  -5.27  -3.98  -414.185013    3      1      
iter:  12  06:24:23  -5.57  -4.04  -414.185351    3      1      
iter:  13  06:26:27  -5.75  -4.12  -414.184815    2      1      
iter:  14  06:28:34  -6.02  -4.18  -414.185040    3      1      
iter:  15  06:30:40  -6.09  -3.80  -414.184996    2      1      
iter:  16  06:32:44  -6.22  -4.39  -414.184669    3      1      
iter:  17  06:34:51  -6.44  -4.50  -414.184748    2      1      
iter:  18  06:36:54  -6.80  -4.58  -414.184665    2      1      
iter:  19  06:39:00  -7.00  -4.62  -414.184804    2      1      
iter:  20  06:41:03  -7.06  -4.70  -414.184954    2      1      
iter:  21  06:43:01  -7.26  -4.24  -414.184774    2      1      
iter:  22  06:44:57  -7.51  -4.77  -414.184891    2      1      

Converged after 22 iterations.

Dipole moment: (-55.962969, -32.517373, 0.017094) |e|*Ang

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

Kinetic:        +20.083129
Potential:     -138.584478
External:        +0.000000
XC:            -305.397441
Entropy (-ST):   -1.566128
Local:          +10.496962
--------------------------
Free energy:   -414.967955
Extrapolated:  -414.184891

Fermi level: -6.51977

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58676    0.14700
  0   340     -6.57393    0.14049
  0   341     -6.57306    0.14004
  0   342     -6.54419    0.12461

  1   339     -6.49408    0.19384
  1   340     -6.44588    0.14367
  1   341     -6.41173    0.11264
  1   342     -6.40668    0.10845



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17455
  1 Pt    0.00000   -0.00277   -0.37489
  2 Pt    0.00000   -0.01904   -0.43340
  3 O    -1.68356    0.00027   -0.71837
  4 O     1.68356    0.00027   -0.71837
  5 O     0.00000   -0.01159   -1.38635
  6 O     0.00000   -0.00273    1.76635
  7 Pt   -0.00000    0.01391    0.45147
  8 Pt    0.00000   -0.04014    0.75271
  9 O    -1.58100    0.00056    0.05125
 10 O     1.58100    0.00056    0.05125
 11 O     0.00000   -0.00887   -0.56652
 12 O    -0.00000    0.01002    0.13886
 13 Pt   -0.00000    0.29867   -0.03780
 14 Pt    0.00000   -0.01995    0.00927
 15 O    -0.00091    0.01065    0.00349
 16 O     0.00091    0.01065    0.00349
 17 O    -0.00000    0.02035   -1.12271
 18 O    -0.00000    0.00166    0.02630
 19 Pt    0.00000   -0.02339    0.13468
 20 Pt    0.00000   -0.07483    0.14769
 21 O    -0.21592    0.39652    0.22885
 22 O     0.21592    0.39652    0.22885
 23 O     0.00000   -0.01564   -0.08970
 24 O     0.00000   -0.00095    1.15043
 25 Pt   -0.00000    0.01729   -0.37788
 26 Pt    0.00000   -0.00014   -0.43415
 27 O    -1.69215    0.01335   -0.71767
 28 O     1.69215    0.01335   -0.71767
 29 O    -0.00000    0.04504   -1.38880
 30 O     0.00000   -0.00443    1.83229
 31 Pt   -0.00000    0.01926    0.51124
 32 Pt    0.00000   -0.13904    0.58042
 33 O    -1.61406   -0.01908    0.07032
 34 O     1.61406   -0.01908    0.07032
 35 O     0.00000   -0.03240   -0.52552
 36 O    -0.00000    0.22657   -0.12116
 37 Pt    0.00000   -0.33973   -0.04280
 38 Pt    0.00000   -0.00398   -0.01069
 39 O     0.01004    0.01132    0.01576
 40 O    -0.01004    0.01132    0.01576
 41 O     0.00000    0.00094    0.01996
 42 O    -0.00000    0.03457   -0.01788
 43 Pt    0.00000   -0.00558    0.09388
 44 Pt    0.00000   -0.09106    0.01069
 45 O    -0.20171   -0.40535    0.19356
 46 O     0.20171   -0.40535    0.19356
 47 O     0.00000   -0.02284   -0.06280
 48 O    -0.00000    0.02229    1.17243
 49 Pt    0.00000   -0.02259   -0.37702
 50 Pt   -0.00000    0.02109   -0.43556
 51 O    -1.69149   -0.01394   -0.71783
 52 O     1.69149   -0.01394   -0.71783
 53 O     0.00000   -0.01074   -1.40559
 54 O     0.00000   -0.00209    1.77479
 55 Pt    0.00000   -0.01226    0.51693
 56 Pt   -0.00000    0.12074    0.65518
 57 O    -1.61424    0.01379    0.09081
 58 O     1.61424    0.01379    0.09081
 59 O     0.00000   -0.02131   -0.51682
 60 O     0.00000   -0.21731   -0.11856
 61 Pt   -0.00000    0.01626   -0.09680
 62 Pt   -0.00000    0.01745   -0.00591
 63 O    -0.01526   -0.00776    0.00325
 64 O     0.01526   -0.00776    0.00325
 65 O     0.00000    0.00096    0.00420
 66 O     0.00000   -0.01426   -0.00494
 67 Pt   -0.00000    0.00653    0.02624
 68 Pt   -0.00000    0.15178    0.01979
 69 O    -0.01012   -0.00053   -0.03077
 70 O     0.01012   -0.00053   -0.03077
 71 O    -0.00000    0.00816   -0.05604
 72 N    -0.00000    1.17027    0.32108
 73 N     0.00000   -1.18030    0.01602

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.395848   24.231974    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.295099   24.137620    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:00:39  -3.10   +inf  -414.300528    4      1      
iter:   2  07:02:47  -2.84  -2.57  -417.185213    4      1      
iter:   3  07:04:57  -3.20  -1.89  -414.227438    3      1      
iter:   4  07:07:07  -3.74  -3.00  -414.197483    3      1      
iter:   5  07:09:18  -4.20  -3.29  -414.194378    3      1      
iter:   6  07:11:26  -4.55  -3.64  -414.191073    3      1      
iter:   7  07:13:31  -4.65  -3.69  -414.189420    3      1      
iter:   8  07:15:36  -4.86  -3.70  -414.188263    3      1      
iter:   9  07:17:42  -4.79  -4.02  -414.187262    3      1      
iter:  10  07:19:47  -5.43  -4.05  -414.187184    2      1      
iter:  11  07:21:54  -5.77  -4.09  -414.187527    2      1      
iter:  12  07:23:59  -5.89  -4.09  -414.186701    2      1      
iter:  13  07:26:04  -6.18  -4.22  -414.187328    2      1      
iter:  14  07:28:09  -6.20  -4.38  -414.187305    2      1      
iter:  15  07:30:18  -6.45  -4.54  -414.187377    2      1      
iter:  16  07:32:24  -6.59  -4.59  -414.187256    3      1      
iter:  17  07:34:28  -7.05  -4.43  -414.187178    2      1      
iter:  18  07:36:36  -7.32  -4.66  -414.187236    2      1      
iter:  19  07:38:37  -7.15  -4.85  -414.187046    2      1      
iter:  20  07:40:33  -7.57  -4.92  -414.187155    2      1      

Converged after 20 iterations.

Dipole moment: (-55.962934, -32.520420, 0.021129) |e|*Ang

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

Kinetic:        +18.752389
Potential:     -137.521537
External:        +0.000000
XC:            -305.128115
Entropy (-ST):   -1.566257
Local:          +10.493236
--------------------------
Free energy:   -414.970284
Extrapolated:  -414.187155

Fermi level: -6.51676

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58406    0.14715
  0   340     -6.57086    0.14046
  0   341     -6.56996    0.13999
  0   342     -6.54110    0.12457

  1   339     -6.49110    0.19387
  1   340     -6.44282    0.14362
  1   341     -6.40874    0.11265
  1   342     -6.40348    0.10829



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17496
  1 Pt    0.00000   -0.00277   -0.37459
  2 Pt    0.00000   -0.01905   -0.43408
  3 O    -1.68339    0.00024   -0.71806
  4 O     1.68339    0.00024   -0.71806
  5 O     0.00000   -0.01159   -1.38623
  6 O     0.00000   -0.00266    1.76478
  7 Pt   -0.00000    0.01387    0.45097
  8 Pt    0.00000   -0.04002    0.75251
  9 O    -1.58109    0.00054    0.05145
 10 O     1.58109    0.00054    0.05145
 11 O     0.00000   -0.00885   -0.56681
 12 O    -0.00000    0.00999    0.13923
 13 Pt   -0.00000    0.29819   -0.03804
 14 Pt    0.00000   -0.02002    0.00906
 15 O    -0.00069    0.01055    0.00353
 16 O     0.00069    0.01055    0.00353
 17 O    -0.00000    0.02048   -1.11992
 18 O    -0.00000    0.00170    0.02674
 19 Pt    0.00000   -0.02412    0.13130
 20 Pt    0.00000   -0.07208    0.15948
 21 O    -0.21545    0.39485    0.22589
 22 O     0.21545    0.39485    0.22589
 23 O     0.00000   -0.01676   -0.09111
 24 O     0.00000   -0.00095    1.15084
 25 Pt   -0.00000    0.01728   -0.37757
 26 Pt    0.00000   -0.00012   -0.43485
 27 O    -1.69195    0.01337   -0.71735
 28 O     1.69195    0.01337   -0.71735
 29 O    -0.00000    0.04507   -1.38856
 30 O     0.00000   -0.00454    1.83062
 31 Pt   -0.00000    0.01926    0.51066
 32 Pt    0.00000   -0.13933    0.57999
 33 O    -1.61421   -0.01905    0.07051
 34 O     1.61421   -0.01905    0.07051
 35 O     0.00000   -0.03244   -0.52578
 36 O    -0.00000    0.22598   -0.12034
 37 Pt    0.00000   -0.33916   -0.04257
 38 Pt    0.00000   -0.00386   -0.01084
 39 O     0.01035    0.01140    0.01583
 40 O    -0.01035    0.01140    0.01583
 41 O     0.00000    0.00075    0.01782
 42 O    -0.00000    0.03420   -0.01710
 43 Pt    0.00000   -0.00513    0.08950
 44 Pt    0.00000   -0.09348    0.01479
 45 O    -0.19996   -0.40329    0.18732
 46 O     0.19996   -0.40329    0.18732
 47 O     0.00000   -0.02162   -0.06406
 48 O    -0.00000    0.02228    1.17283
 49 Pt    0.00000   -0.02257   -0.37672
 50 Pt   -0.00000    0.02108   -0.43626
 51 O    -1.69132   -0.01393   -0.71753
 52 O     1.69132   -0.01393   -0.71753
 53 O     0.00000   -0.01079   -1.40545
 54 O     0.00000   -0.00204    1.77304
 55 Pt    0.00000   -0.01222    0.51642
 56 Pt   -0.00000    0.12092    0.65495
 57 O    -1.61436    0.01378    0.09102
 58 O     1.61436    0.01378    0.09102
 59 O     0.00000   -0.02128   -0.51705
 60 O     0.00000   -0.21667   -0.11787
 61 Pt   -0.00000    0.01596   -0.09714
 62 Pt   -0.00000    0.01741   -0.00631
 63 O    -0.01520   -0.00772    0.00331
 64 O     0.01520   -0.00772    0.00331
 65 O     0.00000    0.00106    0.00187
 66 O     0.00000   -0.01408   -0.00443
 67 Pt   -0.00000    0.00677    0.02366
 68 Pt   -0.00000    0.15208    0.01822
 69 O    -0.00965   -0.00002   -0.03243
 70 O     0.00965   -0.00002   -0.03243
 71 O    -0.00000    0.00799   -0.05747
 72 N    -0.00000    0.00066    0.21919
 73 N     0.00000   -0.01975    0.07286

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.395735   24.230733    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.294724   24.139378    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:57:39  -4.82   +inf  -414.188786    2      1      
iter:   2  07:59:47  -4.73  -3.55  -414.223687    2      1      
iter:   3  08:01:54  -4.80  -2.80  -414.186933    2      1      
iter:   4  08:03:58  -5.63  -4.52  -414.187165    2      1      
iter:   5  08:06:04  -6.06  -4.82  -414.186833    2      1      
iter:   6  08:08:10  -6.33  -4.86  -414.186947    2      1      
iter:   7  08:10:15  -6.75  -4.90  -414.187001    2      1      
iter:   8  08:12:21  -7.25  -5.29  -414.186998    2      1      
iter:   9  08:14:27  -7.48  -5.32  -414.187021    2      1      

Converged after 9 iterations.

Dipole moment: (-55.963009, -32.519879, 0.020202) |e|*Ang

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

Kinetic:        +18.684571
Potential:     -137.456896
External:        +0.000000
XC:            -305.125798
Entropy (-ST):   -1.566247
Local:          +10.494225
--------------------------
Free energy:   -414.970144
Extrapolated:  -414.187021

Fermi level: -6.51714

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58419    0.14703
  0   340     -6.57139    0.14053
  0   341     -6.57051    0.14008
  0   342     -6.54142    0.12454

  1   339     -6.49158    0.19397
  1   340     -6.44330    0.14372
  1   341     -6.40917    0.11269
  1   342     -6.40382    0.10825



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17423
  1 Pt    0.00000   -0.00277   -0.37402
  2 Pt    0.00000   -0.01904   -0.43323
  3 O    -1.68250    0.00027   -0.71831
  4 O     1.68250    0.00027   -0.71831
  5 O     0.00000   -0.01161   -1.38611
  6 O     0.00000   -0.00271    1.77019
  7 Pt   -0.00000    0.01385    0.45318
  8 Pt    0.00000   -0.04007    0.75363
  9 O    -1.58061    0.00052    0.05242
 10 O     1.58061    0.00052    0.05242
 11 O     0.00000   -0.00887   -0.56555
 12 O    -0.00000    0.01004    0.14007
 13 Pt   -0.00000    0.29824   -0.03632
 14 Pt    0.00000   -0.01998    0.00999
 15 O    -0.00105    0.01060    0.00420
 16 O     0.00105    0.01060    0.00420
 17 O    -0.00000    0.02055   -1.11785
 18 O    -0.00000    0.00165    0.02667
 19 Pt    0.00000   -0.02365    0.13484
 20 Pt    0.00000   -0.07278    0.15971
 21 O    -0.21560    0.39532    0.22893
 22 O     0.21560    0.39532    0.22893
 23 O     0.00000   -0.01591   -0.08905
 24 O     0.00000   -0.00096    1.15010
 25 Pt   -0.00000    0.01729   -0.37702
 26 Pt    0.00000   -0.00015   -0.43397
 27 O    -1.69109    0.01337   -0.71760
 28 O     1.69109    0.01337   -0.71760
 29 O    -0.00000    0.04508   -1.38840
 30 O     0.00000   -0.00448    1.83614
 31 Pt   -0.00000    0.01928    0.51288
 32 Pt    0.00000   -0.13921    0.58109
 33 O    -1.61371   -0.01906    0.07147
 34 O     1.61371   -0.01906    0.07147
 35 O     0.00000   -0.03242   -0.52451
 36 O    -0.00000    0.22588   -0.11945
 37 Pt    0.00000   -0.33929   -0.04090
 38 Pt    0.00000   -0.00399   -0.01003
 39 O     0.00997    0.01135    0.01653
 40 O    -0.00997    0.01135    0.01653
 41 O     0.00000    0.00093    0.02128
 42 O    -0.00000    0.03413   -0.01734
 43 Pt    0.00000   -0.00545    0.09366
 44 Pt    0.00000   -0.09354    0.01565
 45 O    -0.20056   -0.40384    0.19092
 46 O     0.20056   -0.40384    0.19092
 47 O     0.00000   -0.02280   -0.06212
 48 O    -0.00000    0.02230    1.17210
 49 Pt    0.00000   -0.02258   -0.37614
 50 Pt   -0.00000    0.02110   -0.43533
 51 O    -1.69043   -0.01396   -0.71777
 52 O     1.69043   -0.01396   -0.71777
 53 O     0.00000   -0.01077   -1.40526
 54 O     0.00000   -0.00205    1.77868
 55 Pt    0.00000   -0.01223    0.51865
 56 Pt   -0.00000    0.12085    0.65602
 57 O    -1.61389    0.01381    0.09200
 58 O     1.61389    0.01381    0.09200
 59 O     0.00000   -0.02129   -0.51579
 60 O     0.00000   -0.21658   -0.11695
 61 Pt   -0.00000    0.01601   -0.09525
 62 Pt   -0.00000    0.01750   -0.00539
 63 O    -0.01542   -0.00773    0.00399
 64 O     0.01542   -0.00773    0.00399
 65 O     0.00000    0.00090    0.00533
 66 O     0.00000   -0.01394   -0.00456
 67 Pt   -0.00000    0.00661    0.02648
 68 Pt   -0.00000    0.15231    0.02110
 69 O    -0.01010   -0.00023   -0.03000
 70 O     0.01010   -0.00023   -0.03000
 71 O    -0.00000    0.00840   -0.05562
 72 N    -0.00000    0.01794    0.20902
 73 N     0.00000   -0.02997    0.05922

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.395849   24.223385    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.293100   24.151042    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:24:04  -3.24   +inf  -414.208103    3      1      
iter:   2  08:26:15  -3.36  -2.89  -414.986880    2      1      
iter:   3  08:28:23  -3.66  -2.16  -414.189370    3      1      
iter:   4  08:30:29  -4.25  -3.52  -414.187421    2      1      
iter:   5  08:32:34  -4.62  -4.16  -414.185493    2      1      
iter:   6  08:34:35  -4.87  -4.03  -414.186228    3      1      
iter:   7  08:36:40  -5.20  -4.11  -414.186327    2      1      
iter:   8  08:38:46  -5.49  -4.20  -414.186625    2      1      
iter:   9  08:40:51  -5.84  -4.34  -414.186475    2      1      
iter:  10  08:42:56  -6.11  -4.30  -414.186375    2      1      
iter:  11  08:45:04  -6.59  -4.61  -414.186808    2      1      
iter:  12  08:47:07  -6.96  -4.57  -414.186451    2      1      
iter:  13  08:49:13  -7.06  -4.71  -414.186566    2      1      
iter:  14  08:51:21  -7.28  -5.09  -414.186572    2      1      
iter:  15  08:53:27  -7.54  -5.20  -414.186590    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963023, -32.518291, 0.019409) |e|*Ang

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

Kinetic:        +18.655611
Potential:     -137.438378
External:        +0.000000
XC:            -305.114450
Entropy (-ST):   -1.566236
Local:          +10.493745
--------------------------
Free energy:   -414.969708
Extrapolated:  -414.186590

Fermi level: -6.51777

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58462    0.14692
  0   340     -6.57204    0.14054
  0   341     -6.57119    0.14010
  0   342     -6.54206    0.12454

  1   339     -6.49219    0.19396
  1   340     -6.44396    0.14374
  1   341     -6.40986    0.11275
  1   342     -6.40450    0.10830



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17437
  1 Pt    0.00000   -0.00277   -0.37471
  2 Pt    0.00000   -0.01904   -0.43353
  3 O    -1.68235    0.00027   -0.71849
  4 O     1.68235    0.00027   -0.71849
  5 O     0.00000   -0.01160   -1.38693
  6 O     0.00000   -0.00267    1.76971
  7 Pt   -0.00000    0.01387    0.45218
  8 Pt    0.00000   -0.04004    0.75290
  9 O    -1.58064    0.00056    0.05179
 10 O     1.58064    0.00056    0.05179
 11 O     0.00000   -0.00886   -0.56688
 12 O    -0.00000    0.01013    0.13842
 13 Pt   -0.00000    0.29906   -0.03740
 14 Pt    0.00000   -0.01999    0.00911
 15 O    -0.00115    0.01058    0.00359
 16 O     0.00115    0.01058    0.00359
 17 O    -0.00000    0.02071   -1.12200
 18 O    -0.00000    0.00171    0.02558
 19 Pt    0.00000   -0.02402    0.13423
 20 Pt    0.00000   -0.07418    0.15388
 21 O    -0.21616    0.39586    0.22827
 22 O     0.21616    0.39586    0.22827
 23 O     0.00000   -0.01622   -0.08965
 24 O     0.00000   -0.00096    1.15025
 25 Pt   -0.00000    0.01728   -0.37770
 26 Pt    0.00000   -0.00014   -0.43428
 27 O    -1.69093    0.01335   -0.71778
 28 O     1.69093    0.01335   -0.71778
 29 O    -0.00000    0.04505   -1.38930
 30 O     0.00000   -0.00447    1.83568
 31 Pt   -0.00000    0.01927    0.51189
 32 Pt    0.00000   -0.13908    0.58068
 33 O    -1.61374   -0.01910    0.07083
 34 O     1.61374   -0.01910    0.07083
 35 O     0.00000   -0.03242   -0.52587
 36 O    -0.00000    0.22653   -0.12141
 37 Pt    0.00000   -0.34058   -0.04211
 38 Pt    0.00000   -0.00399   -0.01098
 39 O     0.00990    0.01133    0.01586
 40 O    -0.00990    0.01133    0.01586
 41 O     0.00000    0.00110    0.02232
 42 O    -0.00000    0.03411   -0.01839
 43 Pt    0.00000   -0.00491    0.09276
 44 Pt    0.00000   -0.09398    0.01405
 45 O    -0.20059   -0.40498    0.18945
 46 O     0.20059   -0.40498    0.18945
 47 O     0.00000   -0.02230   -0.06291
 48 O    -0.00000    0.02229    1.17224
 49 Pt    0.00000   -0.02258   -0.37682
 50 Pt   -0.00000    0.02110   -0.43568
 51 O    -1.69027   -0.01394   -0.71795
 52 O     1.69027   -0.01394   -0.71795
 53 O     0.00000   -0.01076   -1.40614
 54 O     0.00000   -0.00210    1.77817
 55 Pt    0.00000   -0.01223    0.51766
 56 Pt   -0.00000    0.12071    0.65548
 57 O    -1.61390    0.01381    0.09133
 58 O     1.61390    0.01381    0.09133
 59 O     0.00000   -0.02130   -0.51716
 60 O     0.00000   -0.21727   -0.11883
 61 Pt   -0.00000    0.01637   -0.09689
 62 Pt   -0.00000    0.01750   -0.00631
 63 O    -0.01550   -0.00770    0.00328
 64 O     0.01550   -0.00770    0.00328
 65 O     0.00000    0.00107    0.00502
 66 O     0.00000   -0.01396   -0.00568
 67 Pt   -0.00000    0.00662    0.02635
 68 Pt   -0.00000    0.15213    0.02048
 69 O    -0.01031   -0.00010   -0.03021
 70 O     0.01031   -0.00010   -0.03021
 71 O    -0.00000    0.00814   -0.05605
 72 N    -0.00000    0.00302    0.22336
 73 N    -0.00000    0.01588    0.13820

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.396174   24.215948    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.291826   24.164104    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:04:57  -3.17   +inf  -414.223507    3      1      
iter:   2  09:07:07  -3.17  -2.78  -415.488613    3      1      
iter:   3  09:09:15  -3.52  -2.06  -414.193252    3      1      
iter:   4  09:11:18  -4.08  -3.29  -414.187843    2      1      
iter:   5  09:13:24  -4.48  -4.00  -414.185589    3      1      
iter:   6  09:15:30  -4.77  -3.96  -414.185989    3      1      
iter:   7  09:17:35  -5.11  -4.09  -414.186112    2      1      
iter:   8  09:19:41  -5.29  -4.10  -414.186451    2      1      
iter:   9  09:21:48  -5.63  -4.27  -414.186242    2      1      
iter:  10  09:23:52  -5.89  -4.27  -414.186165    2      1      
iter:  11  09:25:56  -6.26  -4.59  -414.186448    2      1      
iter:  12  09:28:02  -6.58  -4.61  -414.186220    2      1      
iter:  13  09:30:08  -6.72  -4.68  -414.186378    2      1      
iter:  14  09:32:12  -6.96  -5.05  -414.186377    2      1      
iter:  15  09:34:19  -7.20  -5.10  -414.186407    2      1      
iter:  16  09:36:25  -7.76  -4.87  -414.186373    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963012, -32.516502, 0.019042) |e|*Ang

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

Kinetic:        +18.606546
Potential:     -137.403867
External:        +0.000000
XC:            -305.099046
Entropy (-ST):   -1.566282
Local:          +10.493136
--------------------------
Free energy:   -414.969514
Extrapolated:  -414.186373

Fermi level: -6.51839

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58528    0.14695
  0   340     -6.57250    0.14046
  0   341     -6.57162    0.14001
  0   342     -6.54279    0.12460

  1   339     -6.49269    0.19383
  1   340     -6.44445    0.14362
  1   341     -6.41051    0.11278
  1   342     -6.40526    0.10841



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17459
  1 Pt    0.00000   -0.00277   -0.37493
  2 Pt    0.00000   -0.01903   -0.43379
  3 O    -1.68314    0.00028   -0.71843
  4 O     1.68314    0.00028   -0.71843
  5 O     0.00000   -0.01161   -1.38658
  6 O     0.00000   -0.00270    1.76628
  7 Pt   -0.00000    0.01383    0.45105
  8 Pt    0.00000   -0.04003    0.75202
  9 O    -1.58088    0.00053    0.05162
 10 O     1.58088    0.00053    0.05162
 11 O     0.00000   -0.00886   -0.56718
 12 O    -0.00000    0.01025    0.13858
 13 Pt   -0.00000    0.30011   -0.03811
 14 Pt    0.00000   -0.01997    0.00889
 15 O    -0.00099    0.01055    0.00356
 16 O     0.00099    0.01055    0.00356
 17 O    -0.00000    0.02084   -1.12939
 18 O    -0.00000    0.00173    0.02616
 19 Pt    0.00000   -0.02417    0.13342
 20 Pt    0.00000   -0.07505    0.15062
 21 O    -0.21590    0.39633    0.22843
 22 O     0.21590    0.39633    0.22843
 23 O     0.00000   -0.01644   -0.08970
 24 O     0.00000   -0.00097    1.15046
 25 Pt   -0.00000    0.01730   -0.37793
 26 Pt    0.00000   -0.00016   -0.43454
 27 O    -1.69172    0.01333   -0.71772
 28 O     1.69172    0.01333   -0.71772
 29 O    -0.00000    0.04500   -1.38902
 30 O     0.00000   -0.00446    1.83239
 31 Pt   -0.00000    0.01932    0.51077
 32 Pt    0.00000   -0.13888    0.58003
 33 O    -1.61397   -0.01908    0.07067
 34 O     1.61397   -0.01908    0.07067
 35 O     0.00000   -0.03241   -0.52619
 36 O    -0.00000    0.22722   -0.12190
 37 Pt    0.00000   -0.34214   -0.04288
 38 Pt    0.00000   -0.00398   -0.01125
 39 O     0.01005    0.01137    0.01581
 40 O    -0.01005    0.01137    0.01581
 41 O     0.00000    0.00120    0.02098
 42 O    -0.00000    0.03427   -0.01788
 43 Pt    0.00000   -0.00456    0.09178
 44 Pt    0.00000   -0.09439    0.01198
 45 O    -0.20022   -0.40618    0.18928
 46 O     0.20022   -0.40618    0.18928
 47 O     0.00000   -0.02213   -0.06346
 48 O    -0.00000    0.02230    1.17245
 49 Pt    0.00000   -0.02259   -0.37703
 50 Pt   -0.00000    0.02111   -0.43593
 51 O    -1.69105   -0.01393   -0.71789
 52 O     1.69105   -0.01393   -0.71789
 53 O     0.00000   -0.01071   -1.40582
 54 O     0.00000   -0.00209    1.77490
 55 Pt    0.00000   -0.01224    0.51655
 56 Pt   -0.00000    0.12052    0.65473
 57 O    -1.61417    0.01382    0.09114
 58 O     1.61417    0.01382    0.09114
 59 O     0.00000   -0.02131   -0.51748
 60 O     0.00000   -0.21804   -0.11919
 61 Pt   -0.00000    0.01676   -0.09798
 62 Pt   -0.00000    0.01748   -0.00656
 63 O    -0.01546   -0.00771    0.00326
 64 O     0.01546   -0.00771    0.00326
 65 O     0.00000    0.00126    0.00199
 66 O     0.00000   -0.01414   -0.00519
 67 Pt   -0.00000    0.00659    0.02512
 68 Pt   -0.00000    0.15174    0.01969
 69 O    -0.00982    0.00000   -0.03052
 70 O     0.00982    0.00000   -0.03052
 71 O    -0.00000    0.00816   -0.05632
 72 N     0.00000   -0.05489    0.24543
 73 N    -0.00000    0.12380    0.07170

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.397841   24.208656    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.292100   24.177311    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:48:24  -3.18   +inf  -414.183701    3      1      
iter:   2  09:50:33  -3.78  -3.48  -414.231317    3      1      
iter:   3  09:52:42  -4.13  -2.80  -414.188469    3      1      
iter:   4  09:54:47  -4.50  -3.68  -414.185644    3      1      
iter:   5  09:56:53  -4.75  -4.08  -414.185681    3      1      
iter:   6  09:59:01  -4.90  -4.49  -414.185901    3      1      
iter:   7  10:01:06  -5.11  -4.34  -414.185679    2      1      
iter:   8  10:03:11  -5.46  -4.56  -414.185802    2      1      
iter:   9  10:05:17  -5.84  -4.56  -414.185596    2      1      
iter:  10  10:07:24  -6.24  -4.71  -414.185769    2      1      
iter:  11  10:09:30  -6.63  -4.72  -414.185616    2      1      
iter:  12  10:11:35  -6.95  -4.77  -414.185759    2      1      
iter:  13  10:13:43  -7.15  -4.98  -414.185805    2      1      
iter:  14  10:15:51  -7.53  -5.01  -414.185744    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963038, -32.514722, 0.018099) |e|*Ang

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

Kinetic:        +18.501452
Potential:     -137.320076
External:        +0.000000
XC:            -305.076470
Entropy (-ST):   -1.566350
Local:          +10.492524
--------------------------
Free energy:   -414.968919
Extrapolated:  -414.185744

Fermi level: -6.51915

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58587    0.14686
  0   340     -6.57323    0.14045
  0   341     -6.57237    0.14000
  0   342     -6.54359    0.12463

  1   339     -6.49348    0.19386
  1   340     -6.44520    0.14361
  1   341     -6.41133    0.11282
  1   342     -6.40609    0.10847



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17460
  1 Pt    0.00000   -0.00283   -0.37456
  2 Pt    0.00000   -0.01904   -0.43328
  3 O    -1.68334    0.00023   -0.71838
  4 O     1.68334    0.00023   -0.71838
  5 O     0.00000   -0.01162   -1.38621
  6 O     0.00000   -0.00271    1.76693
  7 Pt   -0.00000    0.01393    0.45129
  8 Pt    0.00000   -0.04001    0.75230
  9 O    -1.58099    0.00062    0.05123
 10 O     1.58099    0.00062    0.05123
 11 O     0.00000   -0.00886   -0.56683
 12 O    -0.00000    0.01039    0.13879
 13 Pt   -0.00000    0.30110   -0.03861
 14 Pt    0.00000   -0.01990    0.00821
 15 O    -0.00114    0.01065    0.00303
 16 O     0.00114    0.01065    0.00303
 17 O    -0.00000    0.02086   -1.13300
 18 O    -0.00000    0.00186    0.02589
 19 Pt    0.00000   -0.02428    0.13468
 20 Pt    0.00000   -0.07481    0.15389
 21 O    -0.21603    0.39696    0.22929
 22 O     0.21603    0.39696    0.22929
 23 O     0.00000   -0.01640   -0.08873
 24 O     0.00000   -0.00092    1.15049
 25 Pt   -0.00000    0.01735   -0.37756
 26 Pt    0.00000   -0.00006   -0.43413
 27 O    -1.69192    0.01338   -0.71768
 28 O     1.69192    0.01338   -0.71768
 29 O    -0.00000    0.04495   -1.38875
 30 O     0.00000   -0.00444    1.83256
 31 Pt   -0.00000    0.01922    0.51105
 32 Pt    0.00000   -0.13881    0.58050
 33 O    -1.61407   -0.01916    0.07030
 34 O     1.61407   -0.01916    0.07030
 35 O     0.00000   -0.03242   -0.52587
 36 O    -0.00000    0.22754   -0.12190
 37 Pt    0.00000   -0.34364   -0.04345
 38 Pt    0.00000   -0.00411   -0.01179
 39 O     0.00990    0.01126    0.01529
 40 O    -0.00990    0.01126    0.01529
 41 O    -0.00000    0.00157    0.02238
 42 O    -0.00000    0.03432   -0.01820
 43 Pt    0.00000   -0.00446    0.09341
 44 Pt    0.00000   -0.09530    0.01215
 45 O    -0.20047   -0.40777    0.18990
 46 O     0.20047   -0.40777    0.18990
 47 O     0.00000   -0.02214   -0.06321
 48 O    -0.00000    0.02226    1.17250
 49 Pt    0.00000   -0.02258   -0.37670
 50 Pt   -0.00000    0.02102   -0.43552
 51 O    -1.69131   -0.01393   -0.71782
 52 O     1.69131   -0.01393   -0.71782
 53 O     0.00000   -0.01065   -1.40551
 54 O     0.00000   -0.00210    1.77500
 55 Pt    0.00000   -0.01225    0.51663
 56 Pt   -0.00000    0.12044    0.65506
 57 O    -1.61423    0.01381    0.09073
 58 O     1.61423    0.01381    0.09073
 59 O     0.00000   -0.02130   -0.51716
 60 O     0.00000   -0.21845   -0.11904
 61 Pt   -0.00000    0.01717   -0.09864
 62 Pt   -0.00000    0.01756   -0.00705
 63 O    -0.01544   -0.00771    0.00281
 64 O     0.01544   -0.00771    0.00281
 65 O     0.00000    0.00123    0.00182
 66 O     0.00000   -0.01430   -0.00547
 67 Pt   -0.00000    0.00671    0.02541
 68 Pt   -0.00000    0.15129    0.02062
 69 O    -0.00988    0.00021   -0.03054
 70 O     0.00988    0.00021   -0.03054
 71 O    -0.00000    0.00816   -0.05598
 72 N     0.00000   -0.15802    0.26643
 73 N    -0.00000    0.22626    0.12549

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.399515   24.201386    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.292709   24.191203    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:27:29  -3.15   +inf  -414.183497    3      1      
iter:   2  10:29:39  -3.77  -3.53  -414.222358    3      1      
iter:   3  10:31:50  -4.13  -2.84  -414.187077    3      1      
iter:   4  10:33:57  -4.49  -3.78  -414.184832    3      1      
iter:   5  10:36:02  -4.73  -4.05  -414.185344    3      1      
iter:   6  10:38:09  -4.88  -4.26  -414.185393    3      1      
iter:   7  10:40:16  -5.05  -4.21  -414.185204    2      1      
iter:   8  10:42:21  -5.41  -4.50  -414.185054    2      1      
iter:   9  10:44:26  -5.82  -4.47  -414.185307    2      1      
iter:  10  10:46:31  -6.10  -4.23  -414.185237    2      1      
iter:  11  10:48:36  -6.40  -4.64  -414.185018    2      1      
iter:  12  10:50:43  -6.74  -4.79  -414.185267    2      1      
iter:  13  10:52:49  -6.99  -5.00  -414.185236    2      1      
iter:  14  10:54:53  -7.34  -5.06  -414.185204    2      1      
iter:  15  10:56:56  -7.78  -5.29  -414.185210    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963036, -32.513015, 0.017085) |e|*Ang

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

Kinetic:        +18.421289
Potential:     -137.260652
External:        +0.000000
XC:            -305.054249
Entropy (-ST):   -1.566316
Local:          +10.491558
--------------------------
Free energy:   -414.968368
Extrapolated:  -414.185210

Fermi level: -6.51986

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58630    0.14672
  0   340     -6.57401    0.14048
  0   341     -6.57317    0.14005
  0   342     -6.54432    0.12463

  1   339     -6.49420    0.19387
  1   340     -6.44597    0.14366
  1   341     -6.41213    0.11290
  1   342     -6.40685    0.10850



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17458
  1 Pt    0.00000   -0.00282   -0.37460
  2 Pt    0.00000   -0.01903   -0.43334
  3 O    -1.68292    0.00028   -0.71845
  4 O     1.68292    0.00028   -0.71845
  5 O     0.00000   -0.01162   -1.38645
  6 O     0.00000   -0.00270    1.76801
  7 Pt   -0.00000    0.01384    0.45164
  8 Pt    0.00000   -0.04001    0.75257
  9 O    -1.58084    0.00054    0.05135
 10 O     1.58084    0.00054    0.05135
 11 O     0.00000   -0.00886   -0.56684
 12 O    -0.00000    0.01047    0.13916
 13 Pt   -0.00000    0.30198   -0.03782
 14 Pt    0.00000   -0.01994    0.00922
 15 O    -0.00095    0.01060    0.00331
 16 O     0.00095    0.01060    0.00331
 17 O    -0.00000    0.02088   -1.13629
 18 O    -0.00000    0.00182    0.02632
 19 Pt    0.00000   -0.02428    0.13454
 20 Pt    0.00000   -0.07549    0.15055
 21 O    -0.21626    0.39775    0.22973
 22 O     0.21626    0.39775    0.22973
 23 O     0.00000   -0.01667   -0.08930
 24 O     0.00000   -0.00096    1.15045
 25 Pt   -0.00000    0.01736   -0.37759
 26 Pt    0.00000   -0.00016   -0.43411
 27 O    -1.69151    0.01333   -0.71775
 28 O     1.69151    0.01333   -0.71775
 29 O    -0.00000    0.04490   -1.38897
 30 O     0.00000   -0.00442    1.83419
 31 Pt   -0.00000    0.01933    0.51138
 32 Pt    0.00000   -0.13858    0.58100
 33 O    -1.61392   -0.01909    0.07041
 34 O     1.61392   -0.01909    0.07041
 35 O     0.00000   -0.03240   -0.52587
 36 O    -0.00000    0.22804   -0.12195
 37 Pt    0.00000   -0.34503   -0.04274
 38 Pt    0.00000   -0.00407   -0.01102
 39 O     0.01010    0.01133    0.01557
 40 O    -0.01010    0.01133    0.01557
 41 O    -0.00000    0.00178    0.02539
 42 O    -0.00000    0.03444   -0.01792
 43 Pt    0.00000   -0.00420    0.09315
 44 Pt    0.00000   -0.09580    0.01023
 45 O    -0.20046   -0.40925    0.18982
 46 O     0.20046   -0.40925    0.18982
 47 O     0.00000   -0.02200   -0.06410
 48 O    -0.00000    0.02230    1.17245
 49 Pt    0.00000   -0.02259   -0.37670
 50 Pt   -0.00000    0.02110   -0.43550
 51 O    -1.69083   -0.01393   -0.71789
 52 O     1.69083   -0.01393   -0.71789
 53 O     0.00000   -0.01060   -1.40571
 54 O     0.00000   -0.00213    1.77669
 55 Pt    0.00000   -0.01225    0.51709
 56 Pt   -0.00000    0.12021    0.65549
 57 O    -1.61416    0.01382    0.09082
 58 O     1.61416    0.01382    0.09082
 59 O     0.00000   -0.02133   -0.51716
 60 O     0.00000   -0.21900   -0.11895
 61 Pt   -0.00000    0.01762   -0.09826
 62 Pt   -0.00000    0.01755   -0.00626
 63 O    -0.01537   -0.00773    0.00307
 64 O     0.01537   -0.00773    0.00307
 65 O     0.00000    0.00138    0.00307
 66 O     0.00000   -0.01435   -0.00526
 67 Pt   -0.00000    0.00661    0.02501
 68 Pt   -0.00000    0.15114    0.02040
 69 O    -0.00985    0.00028   -0.03042
 70 O     0.00985    0.00028   -0.03042
 71 O    -0.00000    0.00826   -0.05654
 72 N     0.00000   -0.26352    0.26853
 73 N    -0.00000    0.24980    0.05079

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.401306   24.193825    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.293469   24.205036    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:08:15  -3.14   +inf  -414.196982    3      1      
iter:   2  11:10:23  -3.42  -2.97  -414.744322    3      1      
iter:   3  11:12:31  -3.78  -2.24  -414.188212    2      1      
iter:   4  11:14:34  -4.32  -3.69  -414.184480    3      1      
iter:   5  11:16:40  -4.63  -3.91  -414.184923    3      1      
iter:   6  11:18:46  -4.86  -4.11  -414.184277    3      1      
iter:   7  11:20:50  -4.98  -4.19  -414.184196    3      1      
iter:   8  11:22:56  -5.22  -4.24  -414.184395    2      1      
iter:   9  11:25:02  -5.59  -4.44  -414.184113    2      1      
iter:  10  11:27:07  -6.04  -4.39  -414.184734    2      1      
iter:  11  11:29:11  -6.34  -4.46  -414.184246    2      1      
iter:  12  11:31:18  -6.60  -4.46  -414.184367    2      1      
iter:  13  11:33:23  -6.68  -4.54  -414.184448    2      1      
iter:  14  11:35:29  -7.00  -5.00  -414.184469    2      1      
iter:  15  11:37:35  -7.43  -5.12  -414.184503    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963037, -32.511795, 0.016748) |e|*Ang

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

Kinetic:        +18.263745
Potential:     -137.137633
External:        +0.000000
XC:            -305.018798
Entropy (-ST):   -1.566213
Local:          +10.491289
--------------------------
Free energy:   -414.967609
Extrapolated:  -414.184503

Fermi level: -6.52011

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58625    0.14657
  0   340     -6.57431    0.14050
  0   341     -6.57350    0.14009
  0   342     -6.54456    0.12463

  1   339     -6.49444    0.19385
  1   340     -6.44629    0.14373
  1   341     -6.41245    0.11296
  1   342     -6.40710    0.10851



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17454
  1 Pt    0.00000   -0.00282   -0.37481
  2 Pt    0.00000   -0.01902   -0.43379
  3 O    -1.68266    0.00028   -0.71850
  4 O     1.68266    0.00028   -0.71850
  5 O     0.00000   -0.01164   -1.38670
  6 O     0.00000   -0.00272    1.76860
  7 Pt   -0.00000    0.01386    0.45203
  8 Pt    0.00000   -0.04001    0.75268
  9 O    -1.58062    0.00057    0.05161
 10 O     1.58062    0.00057    0.05161
 11 O     0.00000   -0.00886   -0.56663
 12 O    -0.00000    0.01064    0.13910
 13 Pt   -0.00000    0.30275   -0.03722
 14 Pt    0.00000   -0.01987    0.00937
 15 O    -0.00114    0.01062    0.00350
 16 O     0.00114    0.01062    0.00350
 17 O    -0.00000    0.02086   -1.13833
 18 O    -0.00000    0.00190    0.02604
 19 Pt    0.00000   -0.02444    0.13563
 20 Pt    0.00000   -0.07547    0.14855
 21 O    -0.21707    0.39862    0.23033
 22 O     0.21707    0.39862    0.23033
 23 O     0.00000   -0.01669   -0.08906
 24 O     0.00000   -0.00096    1.15041
 25 Pt   -0.00000    0.01737   -0.37782
 26 Pt    0.00000   -0.00015   -0.43458
 27 O    -1.69125    0.01334   -0.71780
 28 O     1.69125    0.01334   -0.71780
 29 O    -0.00000    0.04488   -1.38929
 30 O     0.00000   -0.00439    1.83469
 31 Pt   -0.00000    0.01932    0.51180
 32 Pt    0.00000   -0.13842    0.58134
 33 O    -1.61369   -0.01912    0.07066
 34 O     1.61369   -0.01912    0.07066
 35 O     0.00000   -0.03240   -0.52568
 36 O    -0.00000    0.22852   -0.12234
 37 Pt    0.00000   -0.34630   -0.04223
 38 Pt    0.00000   -0.00416   -0.01087
 39 O     0.00990    0.01131    0.01577
 40 O    -0.00990    0.01131    0.01577
 41 O    -0.00000    0.00209    0.02954
 42 O    -0.00000    0.03444   -0.01835
 43 Pt    0.00000   -0.00400    0.09433
 44 Pt    0.00000   -0.09697    0.01049
 45 O    -0.20127   -0.41102    0.18996
 46 O     0.20127   -0.41102    0.18996
 47 O     0.00000   -0.02206   -0.06439
 48 O    -0.00000    0.02230    1.17241
 49 Pt    0.00000   -0.02260   -0.37691
 50 Pt   -0.00000    0.02109   -0.43597
 51 O    -1.69059   -0.01394   -0.71794
 52 O     1.69059   -0.01394   -0.71794
 53 O     0.00000   -0.01056   -1.40596
 54 O     0.00000   -0.00212    1.77721
 55 Pt    0.00000   -0.01226    0.51748
 56 Pt   -0.00000    0.12005    0.65569
 57 O    -1.61394    0.01383    0.09105
 58 O     1.61394    0.01383    0.09105
 59 O     0.00000   -0.02133   -0.51699
 60 O     0.00000   -0.21961   -0.11913
 61 Pt   -0.00000    0.01807   -0.09788
 62 Pt   -0.00000    0.01759   -0.00602
 63 O    -0.01546   -0.00773    0.00326
 64 O     0.01546   -0.00773    0.00326
 65 O     0.00000    0.00141    0.00521
 66 O     0.00000   -0.01441   -0.00564
 67 Pt   -0.00000    0.00670    0.02557
 68 Pt   -0.00000    0.15099    0.02092
 69 O    -0.01034    0.00051   -0.03050
 70 O     0.01034    0.00051   -0.03050
 71 O    -0.00000    0.00836   -0.05674
 72 N     0.00000   -0.38820    0.21326
 73 N    -0.00000    0.34224    0.13701

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.402830   24.186115    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.294427   24.219914    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:51:09  -3.08   +inf  -414.221835    3      1      
iter:   2  11:53:19  -3.12  -2.76  -415.568037    3      1      
iter:   3  11:55:28  -3.46  -2.05  -414.193327    3      1      
iter:   4  11:57:32  -4.01  -3.30  -414.184511    3      1      
iter:   5  11:59:37  -4.41  -3.91  -414.185296    3      1      
iter:   6  12:01:44  -4.70  -3.94  -414.183359    3      1      
iter:   7  12:03:48  -5.04  -4.15  -414.183546    3      1      
iter:   8  12:05:53  -5.16  -4.16  -414.183698    2      1      
iter:   9  12:08:00  -5.42  -4.46  -414.183826    2      1      
iter:  10  12:10:04  -5.83  -4.29  -414.183843    2      1      
iter:  11  12:12:08  -6.11  -4.05  -414.183536    2      1      
iter:  12  12:14:15  -6.56  -4.59  -414.183757    2      1      
iter:  13  12:16:21  -6.70  -4.62  -414.183629    2      1      
iter:  14  12:18:26  -6.73  -4.66  -414.183735    2      1      
iter:  15  12:20:31  -7.13  -4.91  -414.183732    2      1      
iter:  16  12:22:29  -7.47  -4.98  -414.183754    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963042, -32.510179, 0.015787) |e|*Ang

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

Kinetic:        +18.115022
Potential:     -137.022612
External:        +0.000000
XC:            -304.984447
Entropy (-ST):   -1.566300
Local:          +10.491432
--------------------------
Free energy:   -414.966904
Extrapolated:  -414.183754

Fermi level: -6.52083

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58677    0.14647
  0   340     -6.57501    0.14049
  0   341     -6.57421    0.14008
  0   342     -6.54534    0.12466

  1   339     -6.49521    0.19390
  1   340     -6.44699    0.14371
  1   341     -6.41325    0.11302
  1   342     -6.40788    0.10856



Forces in eV/Ang:
  0 O     0.00000   -0.01748    1.17459
  1 Pt    0.00000   -0.00284   -0.37462
  2 Pt    0.00000   -0.01903   -0.43355
  3 O    -1.68230    0.00028   -0.71849
  4 O     1.68230    0.00028   -0.71849
  5 O     0.00000   -0.01164   -1.38679
  6 O     0.00000   -0.00272    1.76922
  7 Pt   -0.00000    0.01384    0.45228
  8 Pt    0.00000   -0.03999    0.75282
  9 O    -1.58063    0.00056    0.05164
 10 O     1.58063    0.00056    0.05164
 11 O     0.00000   -0.00887   -0.56700
 12 O    -0.00000    0.01071    0.13895
 13 Pt   -0.00000    0.30371   -0.03709
 14 Pt    0.00000   -0.01987    0.00924
 15 O    -0.00113    0.01060    0.00352
 16 O     0.00113    0.01060    0.00352
 17 O    -0.00000    0.02077   -1.14238
 18 O    -0.00000    0.00194    0.02586
 19 Pt    0.00000   -0.02450    0.13557
 20 Pt    0.00000   -0.07537    0.14773
 21 O    -0.21723    0.39922    0.23066
 22 O     0.21723    0.39922    0.23066
 23 O     0.00000   -0.01678   -0.08874
 24 O     0.00000   -0.00095    1.15045
 25 Pt   -0.00000    0.01740   -0.37762
 26 Pt    0.00000   -0.00014   -0.43439
 27 O    -1.69089    0.01333   -0.71779
 28 O     1.69089    0.01333   -0.71779
 29 O    -0.00000    0.04482   -1.38942
 30 O     0.00000   -0.00444    1.83534
 31 Pt   -0.00000    0.01934    0.51203
 32 Pt    0.00000   -0.13831    0.58175
 33 O    -1.61371   -0.01912    0.07069
 34 O     1.61371   -0.01912    0.07069
 35 O     0.00000   -0.03240   -0.52602
 36 O    -0.00000    0.22902   -0.12292
 37 Pt    0.00000   -0.34777   -0.04216
 38 Pt    0.00000   -0.00411   -0.01113
 39 O     0.00994    0.01132    0.01581
 40 O    -0.00994    0.01132    0.01581
 41 O    -0.00000    0.00235    0.03084
 42 O    -0.00000    0.03446   -0.01855
 43 Pt    0.00000   -0.00378    0.09446
 44 Pt    0.00000   -0.09766    0.00829
 45 O    -0.20109   -0.41234    0.18969
 46 O     0.20109   -0.41234    0.18969
 47 O     0.00000   -0.02205   -0.06458
 48 O    -0.00000    0.02230    1.17246
 49 Pt    0.00000   -0.02261   -0.37675
 50 Pt   -0.00000    0.02108   -0.43579
 51 O    -1.69023   -0.01393   -0.71793
 52 O     1.69023   -0.01393   -0.71793
 53 O     0.00000   -0.01050   -1.40608
 54 O     0.00000   -0.00208    1.77784
 55 Pt    0.00000   -0.01227    0.51776
 56 Pt   -0.00000    0.11992    0.65602
 57 O    -1.61395    0.01383    0.09107
 58 O     1.61395    0.01383    0.09107
 59 O     0.00000   -0.02133   -0.51730
 60 O     0.00000   -0.22016   -0.11957
 61 Pt   -0.00000    0.01853   -0.09816
 62 Pt   -0.00000    0.01755   -0.00633
 63 O    -0.01552   -0.00772    0.00330
 64 O     0.01552   -0.00772    0.00330
 65 O     0.00000    0.00152    0.00463
 66 O     0.00000   -0.01446   -0.00588
 67 Pt   -0.00000    0.00666    0.02497
 68 Pt   -0.00000    0.15076    0.02034
 69 O    -0.01026    0.00058   -0.03058
 70 O     0.01026    0.00058   -0.03058
 71 O    -0.00000    0.00841   -0.05673
 72 N     0.00000   -0.51658    0.25769
 73 N    -0.00000    0.46516    0.05566

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.404502   24.178029    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.296156   24.234338    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:32:02  -3.09   +inf  -414.221793    3      1      
iter:   2  12:34:14  -3.12  -2.76  -415.589703    2      1      
iter:   3  12:36:23  -3.46  -2.04  -414.189776    3      1      
iter:   4  12:38:28  -4.00  -3.26  -414.183098    2      1      
iter:   5  12:40:34  -4.38  -3.98  -414.180512    2      1      
iter:   6  12:42:41  -4.68  -3.94  -414.181299    3      1      
iter:   7  12:44:47  -5.04  -4.07  -414.181340    2      1      
iter:   8  12:46:54  -5.20  -4.12  -414.181700    2      1      
iter:   9  12:49:01  -5.48  -4.29  -414.181414    2      1      
iter:  10  12:51:07  -5.81  -4.07  -414.181412    2      1      
iter:  11  12:53:13  -6.17  -4.43  -414.181892    2      1      
iter:  12  12:55:19  -6.58  -4.44  -414.181471    2      1      
iter:  13  12:57:26  -6.73  -4.59  -414.181638    2      1      
iter:  14  12:59:32  -6.84  -4.91  -414.181644    2      1      
iter:  15  13:01:39  -7.10  -5.05  -414.181691    2      1      
iter:  16  13:03:40  -7.80  -4.83  -414.181663    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963054, -32.508751, 0.015595) |e|*Ang

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

Kinetic:        +17.995794
Potential:     -136.929708
External:        +0.000000
XC:            -304.956332
Entropy (-ST):   -1.566287
Local:          +10.491727
--------------------------
Free energy:   -414.964806
Extrapolated:  -414.181663

Fermi level: -6.52147

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58750    0.14652
  0   340     -6.57543    0.14039
  0   341     -6.57460    0.13995
  0   342     -6.54612    0.12474

  1   339     -6.49565    0.19370
  1   340     -6.44746    0.14355
  1   341     -6.41390    0.11303
  1   342     -6.40864    0.10865



Forces in eV/Ang:
  0 O     0.00000   -0.01748    1.17483
  1 Pt    0.00000   -0.00284   -0.37514
  2 Pt    0.00000   -0.01902   -0.43376
  3 O    -1.68377    0.00029   -0.71837
  4 O     1.68377    0.00029   -0.71837
  5 O     0.00000   -0.01164   -1.38650
  6 O     0.00000   -0.00272    1.76439
  7 Pt   -0.00000    0.01380    0.45034
  8 Pt    0.00000   -0.03998    0.75131
  9 O    -1.58074    0.00055    0.05147
 10 O     1.58074    0.00055    0.05147
 11 O     0.00000   -0.00885   -0.56738
 12 O    -0.00000    0.01085    0.13888
 13 Pt   -0.00000    0.30458   -0.03820
 14 Pt    0.00000   -0.01988    0.00867
 15 O    -0.00082    0.01055    0.00343
 16 O     0.00082    0.01055    0.00343
 17 O    -0.00000    0.02063   -1.14942
 18 O    -0.00000    0.00198    0.02651
 19 Pt    0.00000   -0.02462    0.13514
 20 Pt    0.00000   -0.07529    0.14605
 21 O    -0.21683    0.39949    0.23130
 22 O     0.21683    0.39949    0.23130
 23 O     0.00000   -0.01692   -0.08831
 24 O     0.00000   -0.00096    1.15070
 25 Pt   -0.00000    0.01741   -0.37813
 26 Pt    0.00000   -0.00015   -0.43460
 27 O    -1.69235    0.01333   -0.71766
 28 O     1.69235    0.01333   -0.71766
 29 O    -0.00000    0.04478   -1.38919
 30 O     0.00000   -0.00444    1.83059
 31 Pt   -0.00000    0.01938    0.51010
 32 Pt    0.00000   -0.13815    0.58045
 33 O    -1.61382   -0.01911    0.07052
 34 O     1.61382   -0.01911    0.07052
 35 O     0.00000   -0.03241   -0.52644
 36 O    -0.00000    0.22956   -0.12343
 37 Pt    0.00000   -0.34912   -0.04335
 38 Pt    0.00000   -0.00408   -0.01171
 39 O     0.01026    0.01137    0.01565
 40 O    -0.01026    0.01137    0.01565
 41 O    -0.00000    0.00257    0.02880
 42 O    -0.00000    0.03463   -0.01803
 43 Pt    0.00000   -0.00351    0.09407
 44 Pt    0.00000   -0.09814    0.00625
 45 O    -0.20043   -0.41335    0.18956
 46 O     0.20043   -0.41335    0.18956
 47 O     0.00000   -0.02197   -0.06466
 48 O    -0.00000    0.02230    1.17270
 49 Pt    0.00000   -0.02262   -0.37726
 50 Pt   -0.00000    0.02109   -0.43600
 51 O    -1.69170   -0.01393   -0.71780
 52 O     1.69170   -0.01393   -0.71780
 53 O     0.00000   -0.01047   -1.40581
 54 O     0.00000   -0.00209    1.77313
 55 Pt    0.00000   -0.01227    0.51585
 56 Pt   -0.00000    0.11976    0.65460
 57 O    -1.61409    0.01383    0.09088
 58 O     1.61409    0.01383    0.09088
 59 O     0.00000   -0.02134   -0.51771
 60 O     0.00000   -0.22082   -0.11994
 61 Pt   -0.00000    0.01901   -0.09962
 62 Pt   -0.00000    0.01752   -0.00691
 63 O    -0.01528   -0.00773    0.00322
 64 O     0.01528   -0.00773    0.00322
 65 O     0.00000    0.00165    0.00064
 66 O     0.00000   -0.01463   -0.00540
 67 Pt   -0.00000    0.00666    0.02408
 68 Pt   -0.00000    0.15029    0.02001
 69 O    -0.00962    0.00069   -0.03048
 70 O     0.00962    0.00069   -0.03048
 71 O    -0.00000    0.00844   -0.05660
 72 N     0.00000   -0.65980    0.34847
 73 N    -0.00000    0.62625    0.02336

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.407525   24.169799    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.300299   24.249605    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:15:04  -3.05   +inf  -414.181749    3      1      
iter:   2  13:17:13  -3.59  -3.24  -414.314630    3      1      
iter:   3  13:19:21  -3.92  -2.54  -414.184295    2      1      
iter:   4  13:21:25  -4.32  -3.62  -414.179927    3      1      
iter:   5  13:23:32  -4.54  -4.20  -414.179920    2      1      
iter:   6  13:25:40  -4.75  -4.07  -414.179900    2      1      
iter:   7  13:27:46  -5.18  -4.34  -414.180152    2      1      
iter:   8  13:29:51  -5.51  -4.47  -414.180125    2      1      
iter:   9  13:31:57  -5.81  -4.50  -414.180335    2      1      
iter:  10  13:34:04  -6.17  -4.51  -414.179835    2      1      
iter:  11  13:36:09  -6.70  -4.53  -414.180073    2      1      
iter:  12  13:38:15  -7.14  -4.67  -414.180138    2      1      
iter:  13  13:40:24  -7.42  -5.02  -414.180091    2      1      

Converged after 13 iterations.

Dipole moment: (-55.963079, -32.507189, 0.014809) |e|*Ang

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

Kinetic:        +17.903892
Potential:     -136.851988
External:        +0.000000
XC:            -304.941990
Entropy (-ST):   -1.566402
Local:          +10.493197
--------------------------
Free energy:   -414.963292
Extrapolated:  -414.180091

Fermi level: -6.52209

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58790    0.14641
  0   340     -6.57605    0.14038
  0   341     -6.57523    0.13996
  0   342     -6.54681    0.12478

  1   339     -6.49631    0.19374
  1   340     -6.44807    0.14354
  1   341     -6.41458    0.11309
  1   342     -6.40931    0.10870



Forces in eV/Ang:
  0 O     0.00000   -0.01752    1.17460
  1 Pt    0.00000   -0.00285   -0.37434
  2 Pt    0.00000   -0.01904   -0.43297
  3 O    -1.68338    0.00026   -0.71810
  4 O     1.68338    0.00026   -0.71810
  5 O     0.00000   -0.01165   -1.38520
  6 O     0.00000   -0.00270    1.76685
  7 Pt   -0.00000    0.01380    0.45200
  8 Pt    0.00000   -0.03992    0.75250
  9 O    -1.58078    0.00058    0.05206
 10 O     1.58078    0.00058    0.05206
 11 O     0.00000   -0.00883   -0.56610
 12 O    -0.00000    0.01087    0.14016
 13 Pt   -0.00000    0.30566   -0.03759
 14 Pt    0.00000   -0.01991    0.00893
 15 O    -0.00078    0.01052    0.00329
 16 O     0.00078    0.01052    0.00329
 17 O    -0.00000    0.02037   -1.15082
 18 O    -0.00000    0.00200    0.02664
 19 Pt    0.00000   -0.02448    0.13751
 20 Pt    0.00000   -0.07412    0.15522
 21 O    -0.21680    0.40041    0.23348
 22 O     0.21680    0.40041    0.23348
 23 O     0.00000   -0.01658   -0.08616
 24 O     0.00000   -0.00092    1.15043
 25 Pt   -0.00000    0.01744   -0.37729
 26 Pt    0.00000   -0.00012   -0.43392
 27 O    -1.69196    0.01335   -0.71737
 28 O     1.69196    0.01335   -0.71737
 29 O    -0.00000    0.04468   -1.38796
 30 O     0.00000   -0.00457    1.83293
 31 Pt   -0.00000    0.01938    0.51174
 32 Pt    0.00000   -0.13814    0.58194
 33 O    -1.61389   -0.01913    0.07112
 34 O     1.61389   -0.01913    0.07112
 35 O     0.00000   -0.03245   -0.52506
 36 O    -0.00000    0.22989   -0.12235
 37 Pt    0.00000   -0.35073   -0.04279
 38 Pt    0.00000   -0.00387   -0.01145
 39 O     0.01035    0.01140    0.01555
 40 O    -0.01035    0.01140    0.01555
 41 O    -0.00000    0.00304    0.03047
 42 O    -0.00000    0.03473   -0.01793
 43 Pt    0.00000   -0.00358    0.09728
 44 Pt    0.00000   -0.09939    0.00741
 45 O    -0.20008   -0.41526    0.19141
 46 O     0.20008   -0.41526    0.19141
 47 O     0.00000   -0.02249   -0.06377
 48 O    -0.00000    0.02231    1.17243
 49 Pt    0.00000   -0.02264   -0.37654
 50 Pt   -0.00000    0.02107   -0.43533
 51 O    -1.69134   -0.01394   -0.71752
 52 O     1.69134   -0.01394   -0.71752
 53 O     0.00000   -0.01036   -1.40459
 54 O     0.00000   -0.00197    1.77542
 55 Pt    0.00000   -0.01227    0.51764
 56 Pt   -0.00000    0.11970    0.65607
 57 O    -1.61411    0.01381    0.09150
 58 O     1.61411    0.01381    0.09150
 59 O     0.00000   -0.02132   -0.51619
 60 O     0.00000   -0.22116   -0.11869
 61 Pt   -0.00000    0.01953   -0.09942
 62 Pt   -0.00000    0.01734   -0.00676
 63 O    -0.01537   -0.00772    0.00320
 64 O     0.01537   -0.00772    0.00320
 65 O     0.00000    0.00159    0.00009
 66 O     0.00000   -0.01473   -0.00540
 67 Pt   -0.00000    0.00664    0.02450
 68 Pt   -0.00000    0.15026    0.02255
 69 O    -0.00911    0.00079   -0.02982
 70 O     0.00911    0.00079   -0.02982
 71 O    -0.00000    0.00872   -0.05577
 72 N     0.00000   -0.73415    0.32989
 73 N    -0.00000    0.66572   -0.01364

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.411119   24.160939    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.306544   24.265162    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:54:39  -3.02   +inf  -414.185729    3      1      
iter:   2  13:56:50  -3.54  -3.19  -414.357059    3      1      
iter:   3  13:58:56  -3.87  -2.46  -414.178517    3      1      
iter:   4  14:01:01  -4.32  -3.89  -414.180155    3      1      
iter:   5  14:03:08  -4.49  -3.99  -414.177588    3      1      
iter:   6  14:05:15  -4.71  -3.99  -414.178415    2      1      
iter:   7  14:07:21  -5.27  -4.15  -414.179015    2      1      
iter:   8  14:09:27  -5.59  -4.65  -414.178914    2      1      
iter:   9  14:11:33  -5.84  -4.33  -414.179227    2      1      
iter:  10  14:13:41  -6.13  -3.80  -414.179284    2      1      
iter:  11  14:15:47  -6.46  -4.46  -414.178902    2      1      
iter:  12  14:17:51  -6.96  -4.95  -414.178956    2      1      
iter:  13  14:19:59  -7.18  -4.99  -414.178905    2      1      
iter:  14  14:22:12  -7.35  -5.09  -414.178916    2      1      
iter:  15  14:24:20  -7.76  -5.17  -414.178902    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963075, -32.505865, 0.013253) |e|*Ang

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

Kinetic:        +18.051456
Potential:     -136.978162
External:        +0.000000
XC:            -304.963895
Entropy (-ST):   -1.566342
Local:          +10.494870
--------------------------
Free energy:   -414.962073
Extrapolated:  -414.178902

Fermi level: -6.52272

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58792    0.14610
  0   340     -6.57692    0.14051
  0   341     -6.57618    0.14012
  0   342     -6.54739    0.12475

  1   339     -6.49717    0.19399
  1   340     -6.44891    0.14374
  1   341     -6.41536    0.11321
  1   342     -6.40988    0.10865



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17428
  1 Pt    0.00000   -0.00286   -0.37406
  2 Pt    0.00000   -0.01904   -0.43305
  3 O    -1.68185    0.00029   -0.71853
  4 O     1.68185    0.00029   -0.71853
  5 O     0.00000   -0.01166   -1.38637
  6 O     0.00000   -0.00270    1.77192
  7 Pt   -0.00000    0.01381    0.45347
  8 Pt    0.00000   -0.03992    0.75375
  9 O    -1.58086    0.00053    0.05169
 10 O     1.58086    0.00053    0.05169
 11 O     0.00000   -0.00885   -0.56605
 12 O    -0.00000    0.01113    0.14010
 13 Pt   -0.00000    0.30628   -0.03614
 14 Pt    0.00000   -0.01991    0.01021
 15 O    -0.00120    0.01072    0.00328
 16 O     0.00120    0.01072    0.00328
 17 O    -0.00000    0.02022   -1.15210
 18 O    -0.00000    0.00202    0.02676
 19 Pt    0.00000   -0.02439    0.13775
 20 Pt    0.00000   -0.07488    0.14598
 21 O    -0.21733    0.40118    0.23409
 22 O     0.21733    0.40118    0.23409
 23 O     0.00000   -0.01672   -0.08668
 24 O     0.00000   -0.00094    1.15013
 25 Pt   -0.00000    0.01746   -0.37704
 26 Pt    0.00000   -0.00014   -0.43390
 27 O    -1.69044    0.01333   -0.71782
 28 O     1.69044    0.01333   -0.71782
 29 O    -0.00000    0.04469   -1.38909
 30 O     0.00000   -0.00439    1.83817
 31 Pt   -0.00000    0.01939    0.51323
 32 Pt    0.00000   -0.13786    0.58321
 33 O    -1.61395   -0.01910    0.07074
 34 O     1.61395   -0.01910    0.07074
 35 O     0.00000   -0.03241   -0.52513
 36 O    -0.00000    0.23014   -0.12291
 37 Pt    0.00000   -0.35185   -0.04158
 38 Pt    0.00000   -0.00424   -0.01035
 39 O     0.00995    0.01124    0.01550
 40 O    -0.00995    0.01124    0.01550
 41 O    -0.00000    0.00325    0.03889
 42 O    -0.00000    0.03501   -0.01814
 43 Pt    0.00000   -0.00358    0.09743
 44 Pt    0.00000   -0.09924    0.00591
 45 O    -0.20038   -0.41658    0.19091
 46 O     0.20038   -0.41658    0.19091
 47 O     0.00000   -0.02231   -0.06408
 48 O    -0.00000    0.02233    1.17214
 49 Pt    0.00000   -0.02265   -0.37617
 50 Pt   -0.00000    0.02109   -0.43531
 51 O    -1.68979   -0.01393   -0.71795
 52 O     1.68979   -0.01393   -0.71795
 53 O     0.00000   -0.01036   -1.40565
 54 O     0.00000   -0.00214    1.78068
 55 Pt    0.00000   -0.01227    0.51888
 56 Pt   -0.00000    0.11942    0.65716
 57 O    -1.61427    0.01384    0.09105
 58 O     1.61427    0.01384    0.09105
 59 O     0.00000   -0.02136   -0.51630
 60 O     0.00000   -0.22169   -0.11904
 61 Pt   -0.00000    0.02014   -0.09815
 62 Pt   -0.00000    0.01771   -0.00546
 63 O    -0.01554   -0.00777    0.00310
 64 O     0.01554   -0.00777    0.00310
 65 O     0.00000    0.00179    0.00589
 66 O     0.00000   -0.01496   -0.00546
 67 Pt   -0.00000    0.00671    0.02539
 68 Pt   -0.00000    0.14969    0.02335
 69 O    -0.00998    0.00081   -0.02903
 70 O     0.00998    0.00081   -0.02903
 71 O    -0.00000    0.00860   -0.05579
 72 N     0.00000   -0.60878    0.34426
 73 N    -0.00000    0.59766    0.00307

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.414823   24.152233    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.312882   24.280835    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:34:27  -2.99   +inf  -414.249778    2      1      
iter:   2  14:36:36  -2.94  -2.65  -416.403905    3      1      
iter:   3  14:38:44  -3.33  -1.95  -414.193987    3      1      
iter:   4  14:40:50  -3.83  -3.01  -414.180774    3      1      
iter:   5  14:42:57  -4.31  -3.72  -414.177473    3      1      
iter:   6  14:45:02  -4.49  -3.88  -414.176652    3      1      
iter:   7  14:47:08  -4.98  -4.02  -414.177092    2      1      
iter:   8  14:49:15  -5.36  -3.99  -414.177611    2      1      
iter:   9  14:51:21  -5.74  -4.10  -414.177396    2      1      
iter:  10  14:53:28  -6.00  -4.47  -414.177402    2      1      
iter:  11  14:55:34  -6.12  -4.58  -414.176771    2      1      
iter:  12  14:57:40  -6.58  -4.43  -414.177258    2      1      
iter:  13  14:59:46  -6.89  -4.59  -414.177200    2      1      
iter:  14  15:01:55  -7.45  -4.96  -414.177178    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963112, -32.504572, 0.014090) |e|*Ang

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

Kinetic:        +18.061591
Potential:     -136.987229
External:        +0.000000
XC:            -304.964414
Entropy (-ST):   -1.566429
Local:          +10.496088
--------------------------
Free energy:   -414.960392
Extrapolated:  -414.177178

Fermi level: -6.52283

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58839    0.14628
  0   340     -6.57660    0.14028
  0   341     -6.57578    0.13986
  0   342     -6.54775    0.12488

  1   339     -6.49698    0.19366
  1   340     -6.44868    0.14341
  1   341     -6.41543    0.11318
  1   342     -6.41015    0.10879



Forces in eV/Ang:
  0 O     0.00000   -0.01749    1.17446
  1 Pt    0.00000   -0.00288   -0.37560
  2 Pt    0.00000   -0.01903   -0.43326
  3 O    -1.68468    0.00027   -0.71888
  4 O     1.68468    0.00027   -0.71888
  5 O     0.00000   -0.01164   -1.38703
  6 O     0.00000   -0.00271    1.76217
  7 Pt   -0.00000    0.01379    0.44864
  8 Pt    0.00000   -0.03992    0.75038
  9 O    -1.58123    0.00055    0.05015
 10 O     1.58123    0.00055    0.05015
 11 O     0.00000   -0.00885   -0.56907
 12 O    -0.00000    0.01111    0.13712
 13 Pt   -0.00000    0.30719   -0.04041
 14 Pt    0.00000   -0.01987    0.00758
 15 O    -0.00049    0.01058    0.00218
 16 O     0.00049    0.01058    0.00218
 17 O    -0.00000    0.01990   -1.16192
 18 O    -0.00000    0.00212    0.02690
 19 Pt    0.00000   -0.02452    0.13692
 20 Pt    0.00000   -0.07372    0.15416
 21 O    -0.21616    0.40131    0.23626
 22 O     0.21616    0.40131    0.23626
 23 O     0.00000   -0.01695   -0.08513
 24 O     0.00000   -0.00092    1.15032
 25 Pt   -0.00000    0.01748   -0.37856
 26 Pt    0.00000   -0.00012   -0.43420
 27 O    -1.69326    0.01332   -0.71819
 28 O     1.69326    0.01332   -0.71819
 29 O    -0.00000    0.04462   -1.38983
 30 O     0.00000   -0.00449    1.82831
 31 Pt   -0.00000    0.01941    0.50836
 32 Pt    0.00000   -0.13783    0.58024
 33 O    -1.61433   -0.01910    0.06918
 34 O     1.61433   -0.01910    0.06918
 35 O     0.00000   -0.03243   -0.52797
 36 O    -0.00000    0.23055   -0.12579
 37 Pt    0.00000   -0.35330   -0.04586
 38 Pt    0.00000   -0.00403   -0.01270
 39 O     0.01064    0.01138    0.01431
 40 O    -0.01064    0.01138    0.01431
 41 O    -0.00000    0.00361    0.03059
 42 O    -0.00000    0.03511   -0.01792
 43 Pt    0.00000   -0.00350    0.09619
 44 Pt    0.00000   -0.09967    0.00119
 45 O    -0.19843   -0.41781    0.19149
 46 O     0.19843   -0.41781    0.19149
 47 O     0.00000   -0.02225   -0.06371
 48 O    -0.00000    0.02228    1.17231
 49 Pt    0.00000   -0.02266   -0.37777
 50 Pt   -0.00000    0.02106   -0.43564
 51 O    -1.69265   -0.01390   -0.71832
 52 O     1.69265   -0.01390   -0.71832
 53 O     0.00000   -0.01031   -1.40638
 54 O     0.00000   -0.00205    1.77079
 55 Pt    0.00000   -0.01228    0.51417
 56 Pt   -0.00000    0.11936    0.65401
 57 O    -1.61462    0.01381    0.08951
 58 O     1.61462    0.01381    0.08951
 59 O     0.00000   -0.02133   -0.51914
 60 O     0.00000   -0.22211   -0.12188
 61 Pt   -0.00000    0.02076   -0.10267
 62 Pt   -0.00000    0.01745   -0.00804
 63 O    -0.01506   -0.00774    0.00210
 64 O     0.01506   -0.00774    0.00210
 65 O     0.00000    0.00178   -0.00414
 66 O     0.00000   -0.01512   -0.00530
 67 Pt   -0.00000    0.00682    0.02262
 68 Pt   -0.00000    0.14927    0.02269
 69 O    -0.00833    0.00105   -0.02861
 70 O     0.00833    0.00105   -0.02861
 71 O    -0.00000    0.00883   -0.05523
 72 N     0.00000   -0.57819    0.38180
 73 N    -0.00000    0.57053   -0.04234

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.419244   24.143723    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.320879   24.295889    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:15:46  -2.99   +inf  -414.248260    3      1      
iter:   2  15:17:54  -2.99  -2.68  -416.185502    3      1      
iter:   3  15:20:03  -3.31  -1.97  -414.178842    3      1      
iter:   4  15:22:10  -3.97  -3.38  -414.179392    3      1      
iter:   5  15:24:15  -4.39  -3.74  -414.176207    3      1      
iter:   6  15:26:21  -4.57  -3.85  -414.175397    3      1      
iter:   7  15:28:28  -4.99  -4.05  -414.175655    2      1      
iter:   8  15:30:35  -5.39  -4.13  -414.176084    3      1      
iter:   9  15:32:41  -5.77  -4.32  -414.176212    2      1      
iter:  10  15:34:48  -6.10  -4.27  -414.175785    2      1      
iter:  11  15:36:54  -6.34  -4.42  -414.176668    2      1      
iter:  12  15:39:02  -6.42  -4.32  -414.176007    2      1      
iter:  13  15:41:10  -6.88  -4.80  -414.176036    2      1      
iter:  14  15:43:14  -7.40  -4.92  -414.176077    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963045, -32.503548, 0.013394) |e|*Ang

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

Kinetic:        +18.178924
Potential:     -137.085119
External:        +0.000000
XC:            -304.984215
Entropy (-ST):   -1.566222
Local:          +10.497444
--------------------------
Free energy:   -414.959188
Extrapolated:  -414.176077

Fermi level: -6.52312

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58802    0.14595
  0   340     -6.57712    0.14040
  0   341     -6.57637    0.14002
  0   342     -6.54794    0.12483

  1   339     -6.49737    0.19377
  1   340     -6.44921    0.14364
  1   341     -6.41582    0.11326
  1   342     -6.41033    0.10869



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17428
  1 Pt    0.00000   -0.00288   -0.37530
  2 Pt    0.00000   -0.01904   -0.43385
  3 O    -1.68299    0.00026   -0.71867
  4 O     1.68299    0.00026   -0.71867
  5 O     0.00000   -0.01168   -1.38559
  6 O     0.00000   -0.00269    1.76863
  7 Pt   -0.00000    0.01378    0.45249
  8 Pt    0.00000   -0.03987    0.75341
  9 O    -1.58054    0.00059    0.05216
 10 O     1.58054    0.00059    0.05216
 11 O     0.00000   -0.00885   -0.56539
 12 O    -0.00000    0.01132    0.14058
 13 Pt   -0.00000    0.30772   -0.03608
 14 Pt    0.00000   -0.01987    0.01014
 15 O    -0.00061    0.01058    0.00368
 16 O     0.00061    0.01058    0.00368
 17 O    -0.00000    0.01972   -1.15871
 18 O    -0.00000    0.00229    0.02832
 19 Pt    0.00000   -0.02446    0.13916
 20 Pt    0.00000   -0.07373    0.15143
 21 O    -0.21721    0.40223    0.23759
 22 O     0.21721    0.40223    0.23759
 23 O     0.00000   -0.01724   -0.08611
 24 O     0.00000   -0.00091    1.15012
 25 Pt   -0.00000    0.01750   -0.37825
 26 Pt    0.00000   -0.00011   -0.43482
 27 O    -1.69157    0.01336   -0.71796
 28 O     1.69157    0.01336   -0.71796
 29 O    -0.00000    0.04457   -1.38846
 30 O     0.00000   -0.00451    1.83478
 31 Pt   -0.00000    0.01944    0.51227
 32 Pt    0.00000   -0.13773    0.58333
 33 O    -1.61364   -0.01914    0.07122
 34 O     1.61364   -0.01914    0.07122
 35 O     0.00000   -0.03242   -0.52437
 36 O    -0.00000    0.23079   -0.12271
 37 Pt    0.00000   -0.35445   -0.04163
 38 Pt    0.00000   -0.00408   -0.01049
 39 O     0.01054    0.01138    0.01595
 40 O    -0.01054    0.01138    0.01595
 41 O    -0.00000    0.00408    0.04065
 42 O    -0.00000    0.03488   -0.01688
 43 Pt    0.00000   -0.00361    0.09773
 44 Pt    0.00000   -0.10030   -0.00159
 45 O    -0.19894   -0.41960    0.19123
 46 O     0.19894   -0.41960    0.19123
 47 O     0.00000   -0.02224   -0.06497
 48 O    -0.00000    0.02229    1.17212
 49 Pt    0.00000   -0.02267   -0.37749
 50 Pt   -0.00000    0.02106   -0.43626
 51 O    -1.69096   -0.01394   -0.71809
 52 O     1.69096   -0.01394   -0.71809
 53 O     0.00000   -0.01021   -1.40498
 54 O     0.00000   -0.00203    1.77726
 55 Pt    0.00000   -0.01229    0.51806
 56 Pt   -0.00000    0.11922    0.65707
 57 O    -1.61391    0.01383    0.09155
 58 O     1.61391    0.01383    0.09155
 59 O     0.00000   -0.02135   -0.51545
 60 O     0.00000   -0.22259   -0.11859
 61 Pt   -0.00000    0.02148   -0.09849
 62 Pt   -0.00000    0.01751   -0.00568
 63 O    -0.01507   -0.00775    0.00360
 64 O     0.01507   -0.00775    0.00360
 65 O     0.00000    0.00165    0.00365
 66 O     0.00000   -0.01498   -0.00418
 67 Pt   -0.00000    0.00693    0.02425
 68 Pt   -0.00000    0.14938    0.02378
 69 O    -0.00942    0.00124   -0.02808
 70 O     0.00942    0.00124   -0.02808
 71 O    -0.00000    0.00913   -0.05593
 72 N     0.00000   -0.50500    0.33136
 73 N    -0.00000    0.47568   -0.10104

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.424399   24.134956    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.330274   24.310530    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:54:51  -2.98   +inf  -414.175504    3      1      
iter:   2  15:57:02  -3.58  -3.32  -414.272761    3      1      
iter:   3  15:59:11  -3.93  -2.61  -414.175565    2      1      
iter:   4  16:01:16  -4.24  -4.08  -414.172809    3      1      
iter:   5  16:03:23  -4.40  -3.74  -414.174837    3      1      
iter:   6  16:05:32  -4.79  -3.75  -414.174625    2      1      
iter:   7  16:07:38  -5.52  -4.04  -414.174654    2      1      
iter:   8  16:09:42  -5.62  -4.40  -414.174908    3      1      
iter:   9  16:11:47  -6.00  -4.35  -414.174876    2      1      
iter:  10  16:13:55  -6.40  -4.74  -414.174715    2      1      
iter:  11  16:16:03  -6.78  -4.89  -414.174920    2      1      
iter:  12  16:18:08  -7.05  -4.91  -414.174763    2      1      
iter:  13  16:20:15  -7.20  -5.06  -414.174854    2      1      
iter:  14  16:22:23  -7.35  -4.61  -414.174780    2      1      
iter:  15  16:24:28  -7.93  -5.28  -414.174797    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963111, -32.502569, 0.012413) |e|*Ang

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

Kinetic:        +18.323347
Potential:     -137.203967
External:        +0.000000
XC:            -305.009881
Entropy (-ST):   -1.566308
Local:          +10.498858
--------------------------
Free energy:   -414.957951
Extrapolated:  -414.174797

Fermi level: -6.52393

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58869    0.14588
  0   340     -6.57788    0.14038
  0   341     -6.57715    0.14000
  0   342     -6.54887    0.12489

  1   339     -6.49821    0.19380
  1   340     -6.44995    0.14358
  1   341     -6.41673    0.11334
  1   342     -6.41120    0.10874



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17430
  1 Pt    0.00000   -0.00290   -0.37495
  2 Pt    0.00000   -0.01903   -0.43359
  3 O    -1.68305    0.00028   -0.71852
  4 O     1.68305    0.00028   -0.71852
  5 O     0.00000   -0.01167   -1.38635
  6 O     0.00000   -0.00272    1.76724
  7 Pt   -0.00000    0.01379    0.45145
  8 Pt    0.00000   -0.03986    0.75232
  9 O    -1.58087    0.00056    0.05151
 10 O     1.58087    0.00056    0.05151
 11 O     0.00000   -0.00884   -0.56686
 12 O    -0.00000    0.01167    0.13961
 13 Pt   -0.00000    0.30843   -0.03736
 14 Pt    0.00000   -0.01986    0.00909
 15 O    -0.00076    0.01061    0.00332
 16 O     0.00076    0.01061    0.00332
 17 O    -0.00000    0.01939   -1.16425
 18 O    -0.00000    0.00216    0.02727
 19 Pt    0.00000   -0.02490    0.13817
 20 Pt    0.00000   -0.07349    0.14389
 21 O    -0.21725    0.40257    0.23663
 22 O     0.21725    0.40257    0.23663
 23 O     0.00000   -0.01673   -0.08451
 24 O     0.00000   -0.00092    1.15015
 25 Pt   -0.00000    0.01751   -0.37791
 26 Pt    0.00000   -0.00012   -0.43455
 27 O    -1.69163    0.01333   -0.71781
 28 O     1.69163    0.01333   -0.71781
 29 O    -0.00000    0.04456   -1.38928
 30 O     0.00000   -0.00447    1.83347
 31 Pt   -0.00000    0.01943    0.51125
 32 Pt    0.00000   -0.13758    0.58246
 33 O    -1.61395   -0.01913    0.07056
 34 O     1.61395   -0.01913    0.07056
 35 O     0.00000   -0.03243   -0.52592
 36 O    -0.00000    0.23128   -0.12432
 37 Pt    0.00000   -0.35566   -0.04331
 38 Pt    0.00000   -0.00415   -0.01160
 39 O     0.01038    0.01137    0.01541
 40 O    -0.01038    0.01137    0.01541
 41 O    -0.00000    0.00410    0.04135
 42 O    -0.00000    0.03532   -0.01789
 43 Pt    0.00000   -0.00304    0.09814
 44 Pt    0.00000   -0.10049   -0.00058
 45 O    -0.19888   -0.42049    0.18975
 46 O     0.19888   -0.42049    0.18975
 47 O     0.00000   -0.02231   -0.06347
 48 O    -0.00000    0.02231    1.17215
 49 Pt    0.00000   -0.02268   -0.37712
 50 Pt   -0.00000    0.02106   -0.43598
 51 O    -1.69101   -0.01393   -0.71793
 52 O     1.69101   -0.01393   -0.71793
 53 O     0.00000   -0.01020   -1.40571
 54 O     0.00000   -0.00206    1.77599
 55 Pt    0.00000   -0.01229    0.51699
 56 Pt   -0.00000    0.11904    0.65598
 57 O    -1.61427    0.01384    0.09082
 58 O     1.61427    0.01384    0.09082
 59 O     0.00000   -0.02134   -0.51708
 60 O     0.00000   -0.22351   -0.11989
 61 Pt   -0.00000    0.02215   -0.10058
 62 Pt   -0.00000    0.01756   -0.00660
 63 O    -0.01526   -0.00777    0.00314
 64 O     0.01526   -0.00777    0.00314
 65 O    -0.00000    0.00204    0.00125
 66 O     0.00000   -0.01521   -0.00524
 67 Pt   -0.00000    0.00692    0.02458
 68 Pt   -0.00000    0.14861    0.02412
 69 O    -0.00901    0.00126   -0.02783
 70 O     0.00901    0.00126   -0.02783
 71 O    -0.00000    0.00860   -0.05497
 72 N     0.00000   -0.38863    0.34803
 73 N    -0.00000    0.41676    0.02609

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.429427   24.127598    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.339602   24.326965    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:34:07  -2.98   +inf  -414.174108    3      1      
iter:   2  16:36:18  -3.64  -3.63  -414.193139    3      1      
iter:   3  16:38:27  -4.04  -2.96  -414.173732    2      1      
iter:   4  16:40:31  -4.28  -4.10  -414.176603    3      1      
iter:   5  16:42:37  -4.39  -3.76  -414.173758    3      1      
iter:   6  16:44:43  -4.88  -4.29  -414.174024    2      1      
iter:   7  16:46:48  -5.39  -4.41  -414.174296    2      1      
iter:   8  16:48:53  -5.77  -4.27  -414.174381    2      1      
iter:   9  16:51:01  -5.83  -3.79  -414.174253    2      1      
iter:  10  16:53:07  -6.14  -4.52  -414.174176    2      1      
iter:  11  16:55:14  -6.67  -4.96  -414.174090    2      1      
iter:  12  16:57:21  -7.02  -5.09  -414.174233    2      1      
iter:  13  16:59:26  -7.26  -5.00  -414.174053    2      1      
iter:  14  17:01:34  -7.41  -5.06  -414.174116    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963093, -32.501610, 0.012727) |e|*Ang

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

Kinetic:        +18.391357
Potential:     -137.264135
External:        +0.000000
XC:            -305.018643
Entropy (-ST):   -1.566288
Local:          +10.500449
--------------------------
Free energy:   -414.957260
Extrapolated:  -414.174116

Fermi level: -6.52400

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58873    0.14586
  0   340     -6.57777    0.14028
  0   341     -6.57703    0.13990
  0   342     -6.54907    0.12496

  1   339     -6.49816    0.19366
  1   340     -6.44990    0.14346
  1   341     -6.41684    0.11338
  1   342     -6.41132    0.10878



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17461
  1 Pt    0.00000   -0.00288   -0.37536
  2 Pt    0.00000   -0.01901   -0.43374
  3 O    -1.68408    0.00029   -0.71842
  4 O     1.68408    0.00029   -0.71842
  5 O     0.00000   -0.01170   -1.38616
  6 O     0.00000   -0.00275    1.76343
  7 Pt   -0.00000    0.01382    0.45014
  8 Pt    0.00000   -0.03987    0.75162
  9 O    -1.58091    0.00057    0.05131
 10 O     1.58091    0.00057    0.05131
 11 O     0.00000   -0.00884   -0.56704
 12 O    -0.00000    0.01187    0.13960
 13 Pt   -0.00000    0.30907   -0.03810
 14 Pt    0.00000   -0.01974    0.00854
 15 O    -0.00049    0.01063    0.00316
 16 O     0.00049    0.01063    0.00316
 17 O    -0.00000    0.01911   -1.16985
 18 O    -0.00000    0.00233    0.02767
 19 Pt    0.00000   -0.02504    0.13750
 20 Pt    0.00000   -0.07260    0.14341
 21 O    -0.21707    0.40275    0.23665
 22 O     0.21707    0.40275    0.23665
 23 O     0.00000   -0.01724   -0.08461
 24 O     0.00000   -0.00092    1.15046
 25 Pt   -0.00000    0.01751   -0.37835
 26 Pt    0.00000   -0.00014   -0.43473
 27 O    -1.69267    0.01332   -0.71771
 28 O     1.69267    0.01332   -0.71771
 29 O    -0.00000    0.04454   -1.38915
 30 O     0.00000   -0.00443    1.82963
 31 Pt   -0.00000    0.01943    0.50999
 32 Pt    0.00000   -0.13742    0.58199
 33 O    -1.61395   -0.01916    0.07036
 34 O     1.61395   -0.01916    0.07036
 35 O     0.00000   -0.03240   -0.52611
 36 O    -0.00000    0.23168   -0.12467
 37 Pt    0.00000   -0.35695   -0.04419
 38 Pt    0.00000   -0.00426   -0.01218
 39 O     0.01058    0.01136    0.01526
 40 O    -0.01058    0.01136    0.01526
 41 O    -0.00000    0.00436    0.04039
 42 O    -0.00000    0.03535   -0.01762
 43 Pt    0.00000   -0.00313    0.09654
 44 Pt    0.00000   -0.10058   -0.00668
 45 O    -0.19807   -0.42166    0.18742
 46 O     0.19807   -0.42166    0.18742
 47 O     0.00000   -0.02188   -0.06414
 48 O    -0.00000    0.02231    1.17246
 49 Pt    0.00000   -0.02269   -0.37755
 50 Pt   -0.00000    0.02106   -0.43614
 51 O    -1.69205   -0.01394   -0.71781
 52 O     1.69205   -0.01394   -0.71781
 53 O     0.00000   -0.01016   -1.40549
 54 O     0.00000   -0.00207    1.77220
 55 Pt    0.00000   -0.01232    0.51568
 56 Pt   -0.00000    0.11887    0.65529
 57 O    -1.61431    0.01385    0.09063
 58 O     1.61431    0.01385    0.09063
 59 O     0.00000   -0.02137   -0.51733
 60 O     0.00000   -0.22420   -0.12003
 61 Pt   -0.00000    0.02295   -0.10165
 62 Pt   -0.00000    0.01753   -0.00709
 63 O    -0.01498   -0.00777    0.00301
 64 O     0.01498   -0.00777    0.00301
 65 O    -0.00000    0.00206   -0.00164
 66 O     0.00000   -0.01539   -0.00488
 67 Pt   -0.00000    0.00719    0.02308
 68 Pt   -0.00000    0.14807    0.02275
 69 O    -0.00877    0.00155   -0.02858
 70 O     0.00877    0.00155   -0.02858
 71 O    -0.00000    0.00868   -0.05529
 72 N     0.00000   -0.36386    0.35753
 73 N    -0.00000    0.34909   -0.03542

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.436059   24.119261    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.351352   24.342387    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:13:02  -2.91   +inf  -414.210028    3      1      
iter:   2  17:15:12  -3.19  -2.82  -415.210135    3      1      
iter:   3  17:17:19  -3.53  -2.10  -414.175574    3      1      
iter:   4  17:19:24  -4.14  -3.71  -414.175836    3      1      
iter:   5  17:21:30  -4.36  -3.95  -414.172127    3      1      
iter:   6  17:23:36  -4.59  -3.75  -414.173158    3      1      
iter:   7  17:25:40  -5.14  -3.98  -414.173952    2      1      
iter:   8  17:27:46  -5.46  -4.39  -414.174109    2      1      
iter:   9  17:29:52  -5.80  -4.08  -414.174296    2      1      
iter:  10  17:31:58  -5.98  -4.14  -414.174621    2      1      
iter:  11  17:34:06  -6.11  -4.33  -414.173519    3      1      
iter:  12  17:36:12  -6.29  -4.27  -414.174272    2      1      
iter:  13  17:38:19  -6.46  -4.66  -414.174119    2      1      
iter:  14  17:40:26  -7.05  -5.06  -414.174120    2      1      
iter:  15  17:42:26  -7.30  -5.10  -414.174095    2      1      
iter:  16  17:44:23  -7.48  -4.64  -414.174086    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963097, -32.500634, 0.011694) |e|*Ang

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

Kinetic:        +18.485018
Potential:     -137.340707
External:        +0.000000
XC:            -305.036132
Entropy (-ST):   -1.566261
Local:          +10.500865
--------------------------
Free energy:   -414.957217
Extrapolated:  -414.174086

Fermi level: -6.52434

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58860    0.14563
  0   340     -6.57831    0.14039
  0   341     -6.57763    0.14004
  0   342     -6.54941    0.12497

  1   339     -6.49863    0.19381
  1   340     -6.45038    0.14360
  1   341     -6.41732    0.11349
  1   342     -6.41163    0.10875



Forces in eV/Ang:
  0 O     0.00000   -0.01752    1.17459
  1 Pt    0.00000   -0.00292   -0.37419
  2 Pt    0.00000   -0.01902   -0.43302
  3 O    -1.68263    0.00027   -0.71849
  4 O     1.68263    0.00027   -0.71849
  5 O     0.00000   -0.01170   -1.38628
  6 O     0.00000   -0.00276    1.76891
  7 Pt   -0.00000    0.01380    0.45223
  8 Pt    0.00000   -0.03985    0.75262
  9 O    -1.58110    0.00054    0.05157
 10 O     1.58110    0.00054    0.05157
 11 O     0.00000   -0.00886   -0.56598
 12 O    -0.00000    0.01197    0.14026
 13 Pt   -0.00000    0.30991   -0.03617
 14 Pt    0.00000   -0.01975    0.01005
 15 O    -0.00096    0.01065    0.00341
 16 O     0.00096    0.01065    0.00341
 17 O    -0.00000    0.01884   -1.16865
 18 O    -0.00000    0.00235    0.02771
 19 Pt    0.00000   -0.02522    0.13819
 20 Pt    0.00000   -0.07181    0.14445
 21 O    -0.21771    0.40374    0.23801
 22 O     0.21771    0.40374    0.23801
 23 O     0.00000   -0.01722   -0.08414
 24 O     0.00000   -0.00091    1.15043
 25 Pt   -0.00000    0.01756   -0.37717
 26 Pt    0.00000   -0.00013   -0.43402
 27 O    -1.69122    0.01334   -0.71779
 28 O     1.69122    0.01334   -0.71779
 29 O    -0.00000    0.04449   -1.38930
 30 O     0.00000   -0.00444    1.83514
 31 Pt   -0.00000    0.01946    0.51209
 32 Pt    0.00000   -0.13735    0.58306
 33 O    -1.61416   -0.01914    0.07063
 34 O     1.61416   -0.01914    0.07063
 35 O     0.00000   -0.03243   -0.52508
 36 O    -0.00000    0.23179   -0.12422
 37 Pt    0.00000   -0.35823   -0.04231
 38 Pt    0.00000   -0.00426   -0.01050
 39 O     0.01014    0.01138    0.01556
 40 O    -0.01014    0.01138    0.01556
 41 O    -0.00000    0.00473    0.04662
 42 O    -0.00000    0.03543   -0.01759
 43 Pt    0.00000   -0.00292    0.09735
 44 Pt    0.00000   -0.10165   -0.00788
 45 O    -0.19801   -0.42354    0.18782
 46 O     0.19801   -0.42354    0.18782
 47 O     0.00000   -0.02196   -0.06447
 48 O    -0.00000    0.02232    1.17245
 49 Pt    0.00000   -0.02271   -0.37637
 50 Pt   -0.00000    0.02106   -0.43543
 51 O    -1.69059   -0.01393   -0.71790
 52 O     1.69059   -0.01393   -0.71790
 53 O     0.00000   -0.01010   -1.40563
 54 O     0.00000   -0.00204    1.77769
 55 Pt    0.00000   -0.01232    0.51778
 56 Pt   -0.00000    0.11877    0.65631
 57 O    -1.61453    0.01387    0.09086
 58 O     1.61453    0.01387    0.09086
 59 O     0.00000   -0.02133   -0.51623
 60 O     0.00000   -0.22448   -0.11952
 61 Pt   -0.00000    0.02358   -0.10006
 62 Pt   -0.00000    0.01755   -0.00545
 63 O    -0.01553   -0.00782    0.00338
 64 O     0.01553   -0.00782    0.00338
 65 O    -0.00000    0.00206    0.00152
 66 O     0.00000   -0.01542   -0.00485
 67 Pt   -0.00000    0.00720    0.02286
 68 Pt   -0.00000    0.14830    0.02335
 69 O    -0.00869    0.00168   -0.02793
 70 O     0.00869    0.00168   -0.02793
 71 O    -0.00000    0.00880   -0.05544
 72 N     0.00000   -0.29752    0.38295
 73 N    -0.00000    0.34249    0.04400

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.442375   24.111474    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.362566   24.358262    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:57:29  -2.92   +inf  -414.179933    2      1      
iter:   2  17:59:39  -3.44  -3.10  -414.456729    2      1      
iter:   3  18:01:50  -3.79  -2.38  -414.173947    2      1      
iter:   4  18:03:59  -4.21  -3.93  -414.173733    2      1      
iter:   5  18:06:10  -4.30  -3.93  -414.171608    3      1      
iter:   6  18:08:20  -4.77  -3.94  -414.173096    3      1      
iter:   7  18:10:24  -5.38  -4.28  -414.173244    2      1      
iter:   8  18:12:30  -5.67  -4.49  -414.173377    2      1      
iter:   9  18:14:38  -5.68  -4.27  -414.173744    2      1      
iter:  10  18:16:41  -5.85  -3.63  -414.173332    2      1      
iter:  11  18:18:47  -6.41  -4.74  -414.173230    2      1      
iter:  12  18:20:53  -6.84  -4.81  -414.173459    2      1      
iter:  13  18:22:59  -7.10  -4.84  -414.173305    2      1      
iter:  14  18:25:06  -7.14  -5.02  -414.173338    2      1      
iter:  15  18:27:12  -7.25  -5.27  -414.173314    2      1      
iter:  16  18:29:13  -7.88  -4.84  -414.173384    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963112, -32.499999, 0.010750) |e|*Ang

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

Kinetic:        +18.477281
Potential:     -137.336756
External:        +0.000000
XC:            -305.030855
Entropy (-ST):   -1.566128
Local:          +10.500010
--------------------------
Free energy:   -414.956448
Extrapolated:  -414.173384

Fermi level: -6.52472

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58841    0.14534
  0   340     -6.57886    0.14047
  0   341     -6.57822    0.14015
  0   342     -6.54971    0.12493

  1   339     -6.49916    0.19398
  1   340     -6.45096    0.14379
  1   341     -6.41777    0.11356
  1   342     -6.41189    0.10866



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17429
  1 Pt    0.00000   -0.00292   -0.37449
  2 Pt    0.00000   -0.01904   -0.43300
  3 O    -1.68143    0.00026   -0.71856
  4 O     1.68143    0.00026   -0.71856
  5 O     0.00000   -0.01171   -1.38706
  6 O     0.00000   -0.00274    1.77288
  7 Pt   -0.00000    0.01384    0.45308
  8 Pt    0.00000   -0.03977    0.75338
  9 O    -1.58062    0.00059    0.05186
 10 O     1.58062    0.00059    0.05186
 11 O     0.00000   -0.00883   -0.56639
 12 O    -0.00000    0.01225    0.13958
 13 Pt   -0.00000    0.31030   -0.03536
 14 Pt    0.00000   -0.01972    0.01009
 15 O    -0.00122    0.01063    0.00358
 16 O     0.00122    0.01063    0.00358
 17 O    -0.00000    0.01844   -1.16670
 18 O    -0.00000    0.00250    0.02681
 19 Pt    0.00000   -0.02541    0.13825
 20 Pt    0.00000   -0.07052    0.14370
 21 O    -0.21876    0.40444    0.23803
 22 O     0.21876    0.40444    0.23803
 23 O     0.00000   -0.01731   -0.08435
 24 O     0.00000   -0.00090    1.15013
 25 Pt   -0.00000    0.01756   -0.37747
 26 Pt    0.00000   -0.00011   -0.43403
 27 O    -1.69001    0.01333   -0.71787
 28 O     1.69001    0.01333   -0.71787
 29 O    -0.00000    0.04446   -1.39014
 30 O     0.00000   -0.00447    1.83913
 31 Pt   -0.00000    0.01946    0.51299
 32 Pt    0.00000   -0.13732    0.58416
 33 O    -1.61367   -0.01916    0.07090
 34 O     1.61367   -0.01916    0.07090
 35 O     0.00000   -0.03246   -0.52546
 36 O    -0.00000    0.23201   -0.12509
 37 Pt    0.00000   -0.35931   -0.04184
 38 Pt    0.00000   -0.00425   -0.01064
 39 O     0.00984    0.01138    0.01573
 40 O    -0.00984    0.01138    0.01573
 41 O    -0.00000    0.00525    0.05400
 42 O    -0.00000    0.03539   -0.01862
 43 Pt    0.00000   -0.00300    0.09746
 44 Pt    0.00000   -0.10259   -0.01043
 45 O    -0.19870   -0.42527    0.18597
 46 O     0.19870   -0.42527    0.18597
 47 O     0.00000   -0.02180   -0.06490
 48 O    -0.00000    0.02231    1.17214
 49 Pt    0.00000   -0.02270   -0.37672
 50 Pt   -0.00000    0.02106   -0.43547
 51 O    -1.68940   -0.01391   -0.71798
 52 O     1.68940   -0.01391   -0.71798
 53 O     0.00000   -0.01005   -1.40642
 54 O     0.00000   -0.00202    1.78156
 55 Pt    0.00000   -0.01236    0.51870
 56 Pt   -0.00000    0.11864    0.65718
 57 O    -1.61403    0.01383    0.09113
 58 O     1.61403    0.01383    0.09113
 59 O     0.00000   -0.02134   -0.51669
 60 O     0.00000   -0.22506   -0.11997
 61 Pt   -0.00000    0.02447   -0.09981
 62 Pt   -0.00000    0.01749   -0.00536
 63 O    -0.01573   -0.00778    0.00347
 64 O     0.01573   -0.00778    0.00347
 65 O     0.00000    0.00201    0.00643
 66 O     0.00000   -0.01545   -0.00595
 67 Pt   -0.00000    0.00747    0.02288
 68 Pt   -0.00000    0.14802    0.02313
 69 O    -0.00968    0.00201   -0.02818
 70 O     0.00968    0.00201   -0.02818
 71 O    -0.00000    0.00875   -0.05589
 72 N     0.00000   -0.26824    0.39147
 73 N    -0.00000    0.31592    0.06407

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.448621   24.104204    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.373577   24.374187    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:36:34  -2.92   +inf  -414.323223    3      1      
iter:   2  18:38:42  -2.67  -2.50  -418.533863    3      1      
iter:   3  18:40:51  -3.09  -1.82  -414.231401    3      1      
iter:   4  18:42:58  -3.51  -2.74  -414.179597    3      1      
iter:   5  18:45:04  -4.06  -3.54  -414.174338    3      1      
iter:   6  18:47:09  -4.36  -3.68  -414.172690    3      1      
iter:   7  18:49:17  -4.87  -4.01  -414.173082    2      1      
iter:   8  18:51:24  -5.18  -4.09  -414.173507    2      1      
iter:   9  18:53:30  -5.52  -4.05  -414.173201    2      1      
iter:  10  18:55:36  -5.77  -4.31  -414.173298    2      1      
iter:  11  18:57:43  -5.90  -4.40  -414.172182    3      1      
iter:  12  18:59:48  -6.25  -4.18  -414.172942    2      1      
iter:  13  19:01:52  -6.77  -4.38  -414.172895    2      1      
iter:  14  19:04:00  -7.08  -4.73  -414.172863    2      1      
iter:  15  19:06:05  -7.29  -4.56  -414.172973    2      1      
iter:  16  19:08:07  -7.44  -4.89  -414.172970    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963111, -32.499292, 0.010960) |e|*Ang

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

Kinetic:        +18.329202
Potential:     -137.214987
External:        +0.000000
XC:            -305.003529
Entropy (-ST):   -1.566165
Local:          +10.499427
--------------------------
Free energy:   -414.956052
Extrapolated:  -414.172970

Fermi level: -6.52496

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58862    0.14533
  0   340     -6.57890    0.14037
  0   341     -6.57825    0.14004
  0   342     -6.55007    0.12499

  1   339     -6.49926    0.19383
  1   340     -6.45105    0.14365
  1   341     -6.41804    0.11358
  1   342     -6.41215    0.10867



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17439
  1 Pt    0.00000   -0.00292   -0.37495
  2 Pt    0.00000   -0.01904   -0.43302
  3 O    -1.68251    0.00027   -0.71878
  4 O     1.68251    0.00027   -0.71878
  5 O     0.00000   -0.01171   -1.38720
  6 O     0.00000   -0.00274    1.76940
  7 Pt   -0.00000    0.01379    0.45175
  8 Pt    0.00000   -0.03976    0.75259
  9 O    -1.58040    0.00057    0.05129
 10 O     1.58040    0.00057    0.05129
 11 O     0.00000   -0.00883   -0.56734
 12 O    -0.00000    0.01221    0.13859
 13 Pt   -0.00000    0.31105   -0.03616
 14 Pt    0.00000   -0.01974    0.00921
 15 O    -0.00057    0.01061    0.00322
 16 O     0.00057    0.01061    0.00322
 17 O    -0.00000    0.01811   -1.17213
 18 O    -0.00000    0.00267    0.02697
 19 Pt    0.00000   -0.02523    0.13907
 20 Pt    0.00000   -0.06879    0.15076
 21 O    -0.21826    0.40456    0.23940
 22 O     0.21826    0.40456    0.23940
 23 O     0.00000   -0.01729   -0.08282
 24 O     0.00000   -0.00089    1.15024
 25 Pt   -0.00000    0.01758   -0.37791
 26 Pt    0.00000   -0.00011   -0.43405
 27 O    -1.69109    0.01331   -0.71808
 28 O     1.69109    0.01331   -0.71808
 29 O    -0.00000    0.04443   -1.39025
 30 O     0.00000   -0.00447    1.83571
 31 Pt   -0.00000    0.01949    0.51155
 32 Pt    0.00000   -0.13721    0.58346
 33 O    -1.61349   -0.01915    0.07032
 34 O     1.61349   -0.01915    0.07032
 35 O     0.00000   -0.03243   -0.52644
 36 O    -0.00000    0.23228   -0.12617
 37 Pt    0.00000   -0.36040   -0.04250
 38 Pt    0.00000   -0.00430   -0.01156
 39 O     0.01054    0.01138    0.01538
 40 O    -0.01054    0.01138    0.01538
 41 O    -0.00000    0.00555    0.05310
 42 O    -0.00000    0.03531   -0.01856
 43 Pt    0.00000   -0.00327    0.09836
 44 Pt    0.00000   -0.10356   -0.01228
 45 O    -0.19727   -0.42625    0.18620
 46 O     0.19727   -0.42625    0.18620
 47 O     0.00000   -0.02212   -0.06423
 48 O    -0.00000    0.02231    1.17224
 49 Pt    0.00000   -0.02273   -0.37716
 50 Pt   -0.00000    0.02106   -0.43550
 51 O    -1.69049   -0.01389   -0.71818
 52 O     1.69049   -0.01389   -0.71818
 53 O     0.00000   -0.01003   -1.40653
 54 O     0.00000   -0.00203    1.77817
 55 Pt    0.00000   -0.01233    0.51728
 56 Pt   -0.00000    0.11850    0.65646
 57 O    -1.61383    0.01384    0.09053
 58 O     1.61383    0.01384    0.09053
 59 O     0.00000   -0.02137   -0.51752
 60 O     0.00000   -0.22536   -0.12106
 61 Pt   -0.00000    0.02500   -0.10057
 62 Pt   -0.00000    0.01754   -0.00658
 63 O    -0.01508   -0.00776    0.00312
 64 O     0.01508   -0.00776    0.00312
 65 O    -0.00000    0.00201    0.00229
 66 O     0.00000   -0.01550   -0.00588
 67 Pt   -0.00000    0.00753    0.02231
 68 Pt   -0.00000    0.14791    0.02328
 69 O    -0.00911    0.00212   -0.02786
 70 O     0.00911    0.00212   -0.02786
 71 O    -0.00000    0.00912   -0.05507
 72 N     0.00000   -0.39091    0.40032
 73 N    -0.00000    0.46928   -0.08987

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    3.456744   24.097399    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.389560   24.387862    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:13:43  -2.90   +inf  -414.181980    3      1      
iter:   2  19:15:52  -3.58  -3.30  -414.226653    3      1      
iter:   3  19:17:59  -3.97  -2.73  -414.173307    3      1      
iter:   4  19:20:03  -4.34  -3.32  -414.175169    3      1      
iter:   5  19:22:10  -4.41  -4.03  -414.173243    3      1      
iter:   6  19:24:17  -4.66  -3.71  -414.173596    3      1      
iter:   7  19:26:22  -5.26  -3.95  -414.173689    2      1      
iter:   8  19:28:28  -5.51  -4.40  -414.174504    2      1      
iter:   9  19:30:33  -5.50  -3.73  -414.173791    3      1      
iter:  10  19:32:41  -5.78  -4.43  -414.174047    2      1      
iter:  11  19:34:48  -6.29  -4.34  -414.173727    2      1      
iter:  12  19:36:53  -6.72  -4.71  -414.173901    1      1      
iter:  13  19:39:02  -6.81  -4.70  -414.173765    2      1      
iter:  14  19:41:08  -6.96  -4.65  -414.173810    2      1      
iter:  15  19:43:15  -7.22  -4.89  -414.173746    2      1      
iter:  16  19:45:23  -7.63  -5.10  -414.173709    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963145, -32.498452, 0.010661) |e|*Ang

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

Kinetic:        +18.687927
Potential:     -137.492641
External:        +0.000000
XC:            -305.083566
Entropy (-ST):   -1.566236
Local:          +10.497690
--------------------------
Free energy:   -414.956827
Extrapolated:  -414.173709

Fermi level: -6.52558

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58918    0.14530
  0   340     -6.57935    0.14028
  0   341     -6.57870    0.13995
  0   342     -6.55083    0.12507

  1   339     -6.49984    0.19378
  1   340     -6.45154    0.14351
  1   341     -6.41873    0.11364
  1   342     -6.41280    0.10870



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17416
  1 Pt    0.00000   -0.00293   -0.37544
  2 Pt    0.00000   -0.01904   -0.43414
  3 O    -1.68321    0.00026   -0.71868
  4 O     1.68321    0.00026   -0.71868
  5 O     0.00000   -0.01173   -1.38614
  6 O     0.00000   -0.00273    1.76641
  7 Pt   -0.00000    0.01380    0.45121
  8 Pt    0.00000   -0.03971    0.75225
  9 O    -1.58096    0.00056    0.05137
 10 O     1.58096    0.00056    0.05137
 11 O     0.00000   -0.00883   -0.56689
 12 O    -0.00000    0.01251    0.13945
 13 Pt   -0.00000    0.31177   -0.03735
 14 Pt    0.00000   -0.01981    0.00853
 15 O    -0.00072    0.01072    0.00289
 16 O     0.00072    0.01072    0.00289
 17 O    -0.00000    0.01778   -1.17812
 18 O    -0.00000    0.00250    0.02770
 19 Pt    0.00000   -0.02514    0.14050
 20 Pt    0.00000   -0.06931    0.14881
 21 O    -0.21774    0.40490    0.24130
 22 O     0.21774    0.40490    0.24130
 23 O     0.00000   -0.01669   -0.08071
 24 O     0.00000   -0.00089    1.15000
 25 Pt   -0.00000    0.01760   -0.37839
 26 Pt    0.00000   -0.00010   -0.43519
 27 O    -1.69178    0.01333   -0.71797
 28 O     1.69178    0.01333   -0.71797
 29 O    -0.00000    0.04440   -1.38922
 30 O     0.00000   -0.00443    1.83266
 31 Pt   -0.00000    0.01948    0.51107
 32 Pt    0.00000   -0.13708    0.58319
 33 O    -1.61405   -0.01914    0.07039
 34 O     1.61405   -0.01914    0.07039
 35 O     0.00000   -0.03243   -0.52608
 36 O    -0.00000    0.23257   -0.12577
 37 Pt    0.00000   -0.36162   -0.04405
 38 Pt    0.00000   -0.00432   -0.01222
 39 O     0.01043    0.01134    0.01493
 40 O    -0.01043    0.01134    0.01493
 41 O    -0.00000    0.00573    0.05274
 42 O    -0.00000    0.03579   -0.01793
 43 Pt    0.00000   -0.00320    0.10023
 44 Pt    0.00000   -0.10293   -0.01310
 45 O    -0.19653   -0.42725    0.18766
 46 O     0.19653   -0.42725    0.18766
 47 O     0.00000   -0.02261   -0.06225
 48 O    -0.00000    0.02233    1.17201
 49 Pt    0.00000   -0.02274   -0.37763
 50 Pt   -0.00000    0.02105   -0.43664
 51 O    -1.69119   -0.01391   -0.71805
 52 O     1.69119   -0.01391   -0.71805
 53 O     0.00000   -0.00998   -1.40545
 54 O     0.00000   -0.00208    1.77511
 55 Pt    0.00000   -0.01234    0.51671
 56 Pt   -0.00000    0.11830    0.65608
 57 O    -1.61442    0.01385    0.09058
 58 O     1.61442    0.01385    0.09058
 59 O     0.00000   -0.02137   -0.51713
 60 O     0.00000   -0.22608   -0.12053
 61 Pt   -0.00000    0.02575   -0.10218
 62 Pt   -0.00000    0.01762   -0.00712
 63 O    -0.01519   -0.00781    0.00283
 64 O     0.01519   -0.00781    0.00283
 65 O    -0.00000    0.00218   -0.00062
 66 O     0.00000   -0.01567   -0.00519
 67 Pt   -0.00000    0.00743    0.02365
 68 Pt   -0.00000    0.14761    0.02699
 69 O    -0.00812    0.00205   -0.02600
 70 O     0.00812    0.00205   -0.02600
 71 O    -0.00000    0.00899   -0.05313
 72 N     0.00000   -0.04551    0.31481
 73 N    -0.00000    0.14515    0.04648

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    3.464910   24.090572    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.405674   24.401484    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:55:08  -2.90   +inf  -414.198921    3      1      
iter:   2  19:57:19  -3.36  -2.97  -414.665578    3      1      
iter:   3  19:59:29  -3.70  -2.25  -414.174445    3      1      
iter:   4  20:01:38  -4.21  -3.27  -414.175633    3      1      
iter:   5  20:03:50  -4.56  -3.88  -414.172704    3      1      
iter:   6  20:05:57  -4.60  -3.86  -414.172122    3      1      
iter:   7  20:08:05  -5.30  -4.02  -414.173057    2      1      
iter:   8  20:10:13  -5.34  -4.25  -414.173143    3      1      
iter:   9  20:12:21  -5.56  -4.46  -414.173807    3      1      
iter:  10  20:14:28  -5.75  -3.68  -414.173798    2      1      
iter:  11  20:16:35  -5.98  -4.01  -414.172739    3      1      
iter:  12  20:18:41  -6.09  -4.25  -414.173499    2      1      
iter:  13  20:20:47  -6.24  -4.35  -414.173329    2      1      
iter:  14  20:22:54  -6.78  -4.60  -414.173239    2      1      
iter:  15  20:24:52  -6.97  -4.83  -414.173164    2      1      
iter:  16  20:26:49  -6.86  -4.35  -414.173042    2      1      
iter:  17  20:28:47  -7.42  -4.84  -414.173139    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963151, -32.497680, 0.010200) |e|*Ang

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

Kinetic:        +19.047961
Potential:     -137.779814
External:        +0.000000
XC:            -305.155287
Entropy (-ST):   -1.566146
Local:          +10.497074
--------------------------
Free energy:   -414.956212
Extrapolated:  -414.173139

Fermi level: -6.52589

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58920    0.14515
  0   340     -6.57970    0.14030
  0   341     -6.57907    0.13998
  0   342     -6.55118    0.12508

  1   339     -6.50012    0.19375
  1   340     -6.45189    0.14356
  1   341     -6.41912    0.11371
  1   342     -6.41307    0.10866



Forces in eV/Ang:
  0 O     0.00000   -0.01755    1.17429
  1 Pt    0.00000   -0.00293   -0.37553
  2 Pt    0.00000   -0.01903   -0.43398
  3 O    -1.68302    0.00027   -0.71875
  4 O     1.68302    0.00027   -0.71875
  5 O     0.00000   -0.01174   -1.38642
  6 O     0.00000   -0.00273    1.76689
  7 Pt   -0.00000    0.01379    0.45097
  8 Pt    0.00000   -0.03968    0.75189
  9 O    -1.58082    0.00055    0.05110
 10 O     1.58082    0.00055    0.05110
 11 O     0.00000   -0.00884   -0.56702
 12 O    -0.00000    0.01274    0.13941
 13 Pt   -0.00000    0.31235   -0.03669
 14 Pt    0.00000   -0.01980    0.00920
 15 O    -0.00065    0.01067    0.00299
 16 O     0.00065    0.01067    0.00299
 17 O    -0.00000    0.01750   -1.17992
 18 O    -0.00000    0.00259    0.02773
 19 Pt    0.00000   -0.02516    0.14049
 20 Pt    0.00000   -0.06838    0.14912
 21 O    -0.21787    0.40534    0.24174
 22 O     0.21787    0.40534    0.24174
 23 O     0.00000   -0.01669   -0.08033
 24 O     0.00000   -0.00089    1.15012
 25 Pt   -0.00000    0.01761   -0.37848
 26 Pt    0.00000   -0.00011   -0.43506
 27 O    -1.69160    0.01333   -0.71804
 28 O     1.69160    0.01333   -0.71804
 29 O    -0.00000    0.04436   -1.38957
 30 O     0.00000   -0.00445    1.83318
 31 Pt   -0.00000    0.01950    0.51083
 32 Pt    0.00000   -0.13701    0.58305
 33 O    -1.61390   -0.01916    0.07012
 34 O     1.61390   -0.01916    0.07012
 35 O     0.00000   -0.03244   -0.52623
 36 O    -0.00000    0.23286   -0.12609
 37 Pt    0.00000   -0.36277   -0.04353
 38 Pt    0.00000   -0.00425   -0.01155
 39 O     0.01049    0.01140    0.01504
 40 O    -0.01049    0.01140    0.01504
 41 O    -0.00000    0.00609    0.05626
 42 O    -0.00000    0.03597   -0.01809
 43 Pt    0.00000   -0.00337    0.10014
 44 Pt    0.00000   -0.10354   -0.01647
 45 O    -0.19611   -0.42862    0.18651
 46 O     0.19611   -0.42862    0.18651
 47 O     0.00000   -0.02259   -0.06221
 48 O    -0.00000    0.02233    1.17213
 49 Pt    0.00000   -0.02275   -0.37775
 50 Pt   -0.00000    0.02105   -0.43650
 51 O    -1.69100   -0.01392   -0.71814
 52 O     1.69100   -0.01392   -0.71814
 53 O     0.00000   -0.00992   -1.40576
 54 O     0.00000   -0.00205    1.77568
 55 Pt    0.00000   -0.01234    0.51652
 56 Pt   -0.00000    0.11817    0.65582
 57 O    -1.61429    0.01386    0.09029
 58 O     1.61429    0.01386    0.09029
 59 O     0.00000   -0.02136   -0.51728
 60 O     0.00000   -0.22674   -0.12064
 61 Pt   -0.00000    0.02659   -0.10193
 62 Pt   -0.00000    0.01753   -0.00643
 63 O    -0.01515   -0.00781    0.00295
 64 O     0.01515   -0.00781    0.00295
 65 O    -0.00000    0.00213   -0.00019
 66 O     0.00000   -0.01588   -0.00535
 67 Pt   -0.00000    0.00758    0.02299
 68 Pt   -0.00000    0.14750    0.02645
 69 O    -0.00800    0.00225   -0.02589
 70 O     0.00800    0.00225   -0.02589
 71 O    -0.00000    0.00904   -0.05318
 72 N    -0.00000    0.21290    0.18938
 73 N     0.00000   -0.21098    0.16840

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    3.472443   24.083484    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.421085   24.415132    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:34:40  -2.92   +inf  -414.179032    3      1      
iter:   2  20:36:50  -3.60  -3.37  -414.227270    3      1      
iter:   3  20:38:59  -3.98  -2.70  -414.172934    3      1      
iter:   4  20:41:06  -4.36  -3.49  -414.174558    3      1      
iter:   5  20:43:10  -4.40  -3.93  -414.172441    3      1      
iter:   6  20:45:18  -4.71  -3.70  -414.172705    3      1      
iter:   7  20:47:24  -5.36  -4.10  -414.173109    2      1      
iter:   8  20:49:29  -5.44  -4.39  -414.173059    3      1      
iter:   9  20:51:37  -5.62  -4.48  -414.173503    2      1      
iter:  10  20:53:43  -6.07  -4.31  -414.173148    2      1      
iter:  11  20:55:50  -6.58  -4.33  -414.172951    2      1      
iter:  12  20:57:57  -6.98  -4.66  -414.173156    2      1      
iter:  13  21:00:03  -7.12  -4.67  -414.172990    2      1      
iter:  14  21:02:09  -6.91  -4.87  -414.172979    2      1      
iter:  15  21:04:16  -6.96  -4.83  -414.172983    2      1      
iter:  16  21:06:22  -7.68  -5.22  -414.173040    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963133, -32.497179, 0.010404) |e|*Ang

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

Kinetic:        +19.311855
Potential:     -137.990582
External:        +0.000000
XC:            -305.207157
Entropy (-ST):   -1.566080
Local:          +10.495884
--------------------------
Free energy:   -414.956081
Extrapolated:  -414.173040

Fermi level: -6.52602

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58918    0.14508
  0   340     -6.57967    0.14022
  0   341     -6.57905    0.13990
  0   342     -6.55136    0.12512

  1   339     -6.50019    0.19367
  1   340     -6.45194    0.14348
  1   341     -6.41928    0.11373
  1   342     -6.41315    0.10862



Forces in eV/Ang:
  0 O     0.00000   -0.01755    1.17440
  1 Pt    0.00000   -0.00294   -0.37581
  2 Pt    0.00000   -0.01903   -0.43420
  3 O    -1.68390    0.00027   -0.71857
  4 O     1.68390    0.00027   -0.71857
  5 O     0.00000   -0.01176   -1.38612
  6 O     0.00000   -0.00274    1.76374
  7 Pt   -0.00000    0.01379    0.44998
  8 Pt    0.00000   -0.03963    0.75150
  9 O    -1.58076    0.00056    0.05105
 10 O     1.58076    0.00056    0.05105
 11 O     0.00000   -0.00884   -0.56711
 12 O    -0.00000    0.01298    0.13959
 13 Pt   -0.00000    0.31286   -0.03669
 14 Pt    0.00000   -0.01978    0.00891
 15 O    -0.00021    0.01064    0.00305
 16 O     0.00021    0.01064    0.00305
 17 O    -0.00000    0.01719   -1.18368
 18 O    -0.00000    0.00270    0.02826
 19 Pt    0.00000   -0.02532    0.13990
 20 Pt    0.00000   -0.06744    0.14890
 21 O    -0.21777    0.40543    0.24166
 22 O     0.21777    0.40543    0.24166
 23 O     0.00000   -0.01687   -0.08006
 24 O     0.00000   -0.00088    1.15024
 25 Pt   -0.00000    0.01762   -0.37876
 26 Pt    0.00000   -0.00010   -0.43530
 27 O    -1.69248    0.01333   -0.71786
 28 O     1.69248    0.01333   -0.71786
 29 O    -0.00000    0.04433   -1.38933
 30 O     0.00000   -0.00447    1.83006
 31 Pt   -0.00000    0.01952    0.50986
 32 Pt    0.00000   -0.13695    0.58285
 33 O    -1.61383   -0.01917    0.07007
 34 O     1.61383   -0.01917    0.07007
 35 O     0.00000   -0.03245   -0.52627
 36 O    -0.00000    0.23314   -0.12620
 37 Pt    0.00000   -0.36389   -0.04373
 38 Pt    0.00000   -0.00428   -0.01198
 39 O     0.01090    0.01144    0.01505
 40 O    -0.01090    0.01144    0.01505
 41 O    -0.00000    0.00633    0.05749
 42 O    -0.00000    0.03601   -0.01771
 43 Pt    0.00000   -0.00347    0.09914
 44 Pt    0.00000   -0.10404   -0.01998
 45 O    -0.19538   -0.42967    0.18476
 46 O     0.19538   -0.42967    0.18476
 47 O     0.00000   -0.02241   -0.06227
 48 O    -0.00000    0.02233    1.17224
 49 Pt    0.00000   -0.02276   -0.37804
 50 Pt   -0.00000    0.02105   -0.43674
 51 O    -1.69188   -0.01391   -0.71796
 52 O     1.69188   -0.01391   -0.71796
 53 O     0.00000   -0.00987   -1.40548
 54 O     0.00000   -0.00204    1.77255
 55 Pt    0.00000   -0.01235    0.51557
 56 Pt   -0.00000    0.11804    0.65547
 57 O    -1.61422    0.01387    0.09023
 58 O     1.61422    0.01387    0.09023
 59 O     0.00000   -0.02136   -0.51732
 60 O     0.00000   -0.22739   -0.12055
 61 Pt   -0.00000    0.02744   -0.10231
 62 Pt   -0.00000    0.01752   -0.00680
 63 O    -0.01477   -0.00781    0.00299
 64 O     0.01477   -0.00781    0.00299
 65 O    -0.00000    0.00222   -0.00171
 66 O     0.00000   -0.01594   -0.00491
 67 Pt   -0.00000    0.00783    0.02212
 68 Pt   -0.00000    0.14721    0.02574
 69 O    -0.00779    0.00253   -0.02621
 70 O     0.00779    0.00253   -0.02621
 71 O    -0.00000    0.00907   -0.05324
 72 N    -0.00000    0.37260    0.17550
 73 N     0.00000   -0.35285    0.20580

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    3.481392   24.077287    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.438207   24.429832    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:15:46  -2.86   +inf  -414.208914    3      1      
iter:   2  21:17:57  -3.20  -2.83  -415.175915    3      1      
iter:   3  21:20:10  -3.55  -2.10  -414.172983    3      1      
iter:   4  21:22:19  -4.17  -3.61  -414.174761    3      1      
iter:   5  21:24:29  -4.45  -3.84  -414.170889    3      1      
iter:   6  21:26:39  -4.56  -3.75  -414.171003    2      1      
iter:   7  21:28:49  -5.13  -3.92  -414.172022    3      1      
iter:   8  21:30:59  -5.33  -4.27  -414.171938    3      1      
iter:   9  21:33:03  -5.32  -4.30  -414.174041    3      1      
iter:  10  21:35:10  -5.63  -3.51  -414.172730    2      1      
iter:  11  21:37:20  -6.04  -4.12  -414.171663    3      1      
iter:  12  21:39:27  -6.52  -4.41  -414.172210    2      1      
iter:  13  21:41:32  -6.56  -4.66  -414.172119    2      1      
iter:  14  21:43:39  -7.06  -4.84  -414.172094    2      1      
iter:  15  21:45:46  -7.12  -4.98  -414.171983    2      1      
iter:  16  21:47:47  -7.52  -4.65  -414.172013    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963136, -32.496479, 0.008857) |e|*Ang

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

Kinetic:        +19.569691
Potential:     -138.200919
External:        +0.000000
XC:            -305.253486
Entropy (-ST):   -1.566125
Local:          +10.495765
--------------------------
Free energy:   -414.955075
Extrapolated:  -414.172013

Fermi level: -6.52589

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58829    0.14469
  0   340     -6.58001    0.14046
  0   341     -6.57938    0.14014
  0   342     -6.55112    0.12505

  1   339     -6.50055    0.19421
  1   340     -6.45217    0.14383
  1   341     -6.41932    0.11388
  1   342     -6.41290    0.10852



Forces in eV/Ang:
  0 O     0.00000   -0.01755    1.17416
  1 Pt    0.00000   -0.00294   -0.37379
  2 Pt    0.00000   -0.01903   -0.43255
  3 O    -1.68052    0.00027   -0.71874
  4 O     1.68052    0.00027   -0.71874
  5 O     0.00000   -0.01179   -1.38701
  6 O     0.00000   -0.00274    1.77682
  7 Pt   -0.00000    0.01380    0.45456
  8 Pt    0.00000   -0.03961    0.75453
  9 O    -1.58074    0.00056    0.05203
 10 O     1.58074    0.00056    0.05203
 11 O     0.00000   -0.00886   -0.56630
 12 O    -0.00000    0.01317    0.13977
 13 Pt   -0.00000    0.31334   -0.03386
 14 Pt    0.00000   -0.01971    0.01065
 15 O    -0.00116    0.01071    0.00333
 16 O     0.00116    0.01071    0.00333
 17 O    -0.00000    0.01699   -1.17765
 18 O    -0.00000    0.00287    0.02747
 19 Pt    0.00000   -0.02542    0.13945
 20 Pt    0.00000   -0.06660    0.14866
 21 O    -0.21925    0.40642    0.24219
 22 O     0.21925    0.40642    0.24219
 23 O     0.00000   -0.01733   -0.08135
 24 O     0.00000   -0.00088    1.14998
 25 Pt   -0.00000    0.01764   -0.37675
 26 Pt    0.00000   -0.00011   -0.43366
 27 O    -1.68910    0.01333   -0.71803
 28 O     1.68910    0.01333   -0.71803
 29 O    -0.00000    0.04431   -1.39020
 30 O     0.00000   -0.00444    1.84316
 31 Pt   -0.00000    0.01953    0.51446
 32 Pt    0.00000   -0.13689    0.58598
 33 O    -1.61380   -0.01918    0.07104
 34 O     1.61380   -0.01918    0.07104
 35 O     0.00000   -0.03245   -0.52545
 36 O    -0.00000    0.23302   -0.12602
 37 Pt    0.00000   -0.36495   -0.04099
 38 Pt    0.00000   -0.00442   -0.01026
 39 O     0.00994    0.01141    0.01551
 40 O    -0.00994    0.01141    0.01551
 41 O    -0.00000    0.00684    0.06884
 42 O    -0.00000    0.03583   -0.01858
 43 Pt    0.00000   -0.00363    0.09757
 44 Pt    0.00000   -0.10489   -0.02573
 45 O    -0.19593   -0.43171    0.18317
 46 O     0.19593   -0.43171    0.18317
 47 O     0.00000   -0.02196   -0.06420
 48 O    -0.00000    0.02235    1.17199
 49 Pt    0.00000   -0.02278   -0.37602
 50 Pt   -0.00000    0.02105   -0.43508
 51 O    -1.68849   -0.01392   -0.71813
 52 O     1.68849   -0.01392   -0.71813
 53 O     0.00000   -0.00981   -1.40631
 54 O     0.00000   -0.00204    1.78566
 55 Pt    0.00000   -0.01236    0.52015
 56 Pt   -0.00000    0.11794    0.65846
 57 O    -1.61420    0.01388    0.09120
 58 O     1.61420    0.01388    0.09120
 59 O     0.00000   -0.02135   -0.51650
 60 O     0.00000   -0.22755   -0.12022
 61 Pt   -0.00000    0.02827   -0.09980
 62 Pt   -0.00000    0.01757   -0.00505
 63 O    -0.01565   -0.00785    0.00331
 64 O     0.01565   -0.00785    0.00331
 65 O    -0.00000    0.00202    0.00674
 66 O     0.00000   -0.01588   -0.00569
 67 Pt   -0.00000    0.00804    0.02081
 68 Pt   -0.00000    0.14755    0.02446
 69 O    -0.00898    0.00282   -0.02621
 70 O     0.00898    0.00282   -0.02621
 71 O    -0.00000    0.00918   -0.05458
 72 N    -0.00000    0.56628    0.09873
 73 N     0.00000   -0.56491    0.23787

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    3.480803   24.079557    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.435227   24.427939    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:55:54  -3.88   +inf  -414.441747    3      1      
iter:   2  21:58:04  -2.49  -2.39  -421.196230    3      1      
iter:   3  22:00:16  -2.92  -1.74  -414.304028    4      1      
iter:   4  22:02:26  -3.24  -2.57  -414.184219    3      1      
iter:   5  22:04:35  -3.92  -3.39  -414.175770    3      1      
iter:   6  22:06:42  -4.43  -3.65  -414.174562    3      1      
iter:   7  22:08:48  -4.77  -3.75  -414.173316    2      1      
iter:   8  22:10:55  -5.31  -4.22  -414.173462    2      1      
iter:   9  22:13:02  -5.79  -4.29  -414.173328    2      1      
iter:  10  22:15:10  -6.19  -4.29  -414.173151    2      1      
iter:  11  22:17:17  -6.43  -4.45  -414.173155    2      1      
iter:  12  22:19:26  -6.77  -4.59  -414.172868    2      1      
iter:  13  22:21:27  -7.08  -4.73  -414.172969    2      1      
iter:  14  22:23:27  -7.69  -4.85  -414.173009    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963047, -32.497337, 0.010532) |e|*Ang

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

Kinetic:        +19.342848
Potential:     -138.012815
External:        +0.000000
XC:            -305.213633
Entropy (-ST):   -1.566029
Local:          +10.493605
--------------------------
Free energy:   -414.956024
Extrapolated:  -414.173009

Fermi level: -6.52509

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58767    0.14479
  0   340     -6.57906    0.14039
  0   341     -6.57846    0.14008
  0   342     -6.55034    0.12506

  1   339     -6.49957    0.19402
  1   340     -6.45128    0.14375
  1   341     -6.41846    0.11383
  1   342     -6.41211    0.10854



Forces in eV/Ang:
  0 O     0.00000   -0.01752    1.17414
  1 Pt    0.00000   -0.00294   -0.37466
  2 Pt    0.00000   -0.01903   -0.43420
  3 O    -1.68154    0.00027   -0.71853
  4 O     1.68154    0.00027   -0.71853
  5 O     0.00000   -0.01175   -1.38722
  6 O     0.00000   -0.00273    1.77106
  7 Pt   -0.00000    0.01379    0.45235
  8 Pt    0.00000   -0.03960    0.75277
  9 O    -1.58077    0.00057    0.05106
 10 O     1.58077    0.00057    0.05106
 11 O     0.00000   -0.00884   -0.56761
 12 O    -0.00000    0.01301    0.13780
 13 Pt   -0.00000    0.31343   -0.03500
 14 Pt    0.00000   -0.01976    0.01054
 15 O    -0.00094    0.01071    0.00316
 16 O     0.00094    0.01071    0.00316
 17 O    -0.00000    0.01698   -1.17701
 18 O    -0.00000    0.00286    0.02675
 19 Pt    0.00000   -0.02513    0.13977
 20 Pt    0.00000   -0.06558    0.15885
 21 O    -0.21859    0.40658    0.24049
 22 O     0.21859    0.40658    0.24049
 23 O     0.00000   -0.01670   -0.07947
 24 O     0.00000   -0.00088    1.14996
 25 Pt   -0.00000    0.01765   -0.37758
 26 Pt    0.00000   -0.00011   -0.43530
 27 O    -1.69012    0.01330   -0.71784
 28 O     1.69012    0.01330   -0.71784
 29 O    -0.00000    0.04431   -1.39038
 30 O     0.00000   -0.00443    1.83744
 31 Pt   -0.00000    0.01951    0.51217
 32 Pt    0.00000   -0.13692    0.58427
 33 O    -1.61386   -0.01919    0.07003
 34 O     1.61386   -0.01919    0.07003
 35 O     0.00000   -0.03244   -0.52676
 36 O    -0.00000    0.23298   -0.12774
 37 Pt    0.00000   -0.36473   -0.04195
 38 Pt    0.00000   -0.00435   -0.01035
 39 O     0.01021    0.01138    0.01528
 40 O    -0.01021    0.01138    0.01528
 41 O    -0.00000    0.00678    0.06757
 42 O    -0.00000    0.03612   -0.01941
 43 Pt    0.00000   -0.00391    0.09963
 44 Pt    0.00000   -0.10540   -0.01898
 45 O    -0.19622   -0.43153    0.18403
 46 O     0.19622   -0.43153    0.18403
 47 O     0.00000   -0.02266   -0.06251
 48 O    -0.00000    0.02231    1.17196
 49 Pt    0.00000   -0.02279   -0.37688
 50 Pt   -0.00000    0.02105   -0.43675
 51 O    -1.68952   -0.01389   -0.71793
 52 O     1.68952   -0.01389   -0.71793
 53 O     0.00000   -0.00985   -1.40653
 54 O     0.00000   -0.00206    1.77993
 55 Pt    0.00000   -0.01233    0.51788
 56 Pt   -0.00000    0.11795    0.65683
 57 O    -1.61423    0.01387    0.09020
 58 O     1.61423    0.01387    0.09020
 59 O     0.00000   -0.02138   -0.51773
 60 O     0.00000   -0.22733   -0.12199
 61 Pt   -0.00000    0.02793   -0.10076
 62 Pt   -0.00000    0.01756   -0.00534
 63 O    -0.01537   -0.00782    0.00310
 64 O     0.01537   -0.00782    0.00310
 65 O    -0.00000    0.00206    0.00546
 66 O     0.00000   -0.01617   -0.00661
 67 Pt   -0.00000    0.00800    0.02082
 68 Pt   -0.00000    0.14754    0.02698
 69 O    -0.00835    0.00267   -0.02818
 70 O     0.00835    0.00267   -0.02818
 71 O    -0.00000    0.00923   -0.05382
 72 N    -0.00000    0.46258    0.14742
 73 N     0.00000   -0.39727    0.20466

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    3.486766   24.090819    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.431333   24.426444    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:28:06  -3.20   +inf  -414.448693    3      1      
iter:   2  22:30:16  -2.46  -2.38  -421.368285    3      1      
iter:   3  22:32:25  -2.90  -1.73  -414.306880    4      1      
iter:   4  22:34:30  -3.27  -2.57  -414.190262    3      1      
iter:   5  22:36:39  -3.90  -3.35  -414.181376    3      1      
iter:   6  22:38:46  -4.36  -3.52  -414.179570    3      1      
iter:   7  22:40:52  -4.70  -3.64  -414.178620    3      1      
iter:   8  22:42:59  -4.90  -3.83  -414.177882    3      1      
iter:   9  22:45:04  -4.93  -3.80  -414.176939    3      1      
iter:  10  22:47:11  -5.32  -4.04  -414.176641    3      1      
iter:  11  22:49:19  -5.70  -4.22  -414.176231    2      1      
iter:  12  22:51:24  -6.56  -4.31  -414.176648    2      1      
iter:  13  22:53:32  -6.56  -4.37  -414.176373    2      1      
iter:  14  22:55:38  -6.57  -4.25  -414.176430    2      1      
iter:  15  22:57:46  -6.83  -4.34  -414.176586    2      1      
iter:  16  22:59:54  -6.79  -4.54  -414.176644    2      1      
iter:  17  23:01:57  -6.61  -4.46  -414.176538    3      1      
iter:  18  23:03:55  -6.90  -4.84  -414.176462    2      1      
iter:  19  23:05:52  -7.40  -5.17  -414.176465    2      1      

Converged after 19 iterations.

Dipole moment: (-55.963088, -32.496993, 0.009752) |e|*Ang

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

Kinetic:        +18.543951
Potential:     -137.394901
External:        +0.000000
XC:            -305.036838
Entropy (-ST):   -1.566057
Local:          +10.494352
--------------------------
Free energy:   -414.959494
Extrapolated:  -414.176465

Fermi level: -6.52641

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58953    0.14506
  0   340     -6.58012    0.14025
  0   341     -6.57951    0.13993
  0   342     -6.55176    0.12512

  1   339     -6.50059    0.19369
  1   340     -6.45237    0.14352
  1   341     -6.41972    0.11377
  1   342     -6.41355    0.10863



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17503
  1 Pt    0.00000   -0.00293   -0.37514
  2 Pt    0.00000   -0.01902   -0.43338
  3 O    -1.68380    0.00028   -0.71830
  4 O     1.68380    0.00028   -0.71830
  5 O     0.00000   -0.01175   -1.38625
  6 O     0.00000   -0.00273    1.76500
  7 Pt   -0.00000    0.01377    0.45079
  8 Pt    0.00000   -0.03963    0.75198
  9 O    -1.58083    0.00056    0.05153
 10 O     1.58083    0.00056    0.05153
 11 O     0.00000   -0.00884   -0.56681
 12 O    -0.00000    0.01285    0.13977
 13 Pt   -0.00000    0.31321   -0.03630
 14 Pt    0.00000   -0.01976    0.00929
 15 O    -0.00033    0.01068    0.00335
 16 O     0.00033    0.01068    0.00335
 17 O    -0.00000    0.01715   -1.18354
 18 O    -0.00000    0.00299    0.02843
 19 Pt    0.00000   -0.02541    0.13604
 20 Pt    0.00000   -0.06496    0.15222
 21 O    -0.21864    0.40564    0.23868
 22 O     0.21864    0.40564    0.23868
 23 O     0.00000   -0.01815   -0.08360
 24 O     0.00000   -0.00088    1.15087
 25 Pt   -0.00000    0.01762   -0.37808
 26 Pt    0.00000   -0.00011   -0.43447
 27 O    -1.69238    0.01332   -0.71758
 28 O     1.69238    0.01332   -0.71758
 29 O    -0.00000    0.04433   -1.38944
 30 O     0.00000   -0.00445    1.83140
 31 Pt   -0.00000    0.01952    0.51062
 32 Pt    0.00000   -0.13692    0.58330
 33 O    -1.61391   -0.01917    0.07054
 34 O     1.61391   -0.01917    0.07054
 35 O     0.00000   -0.03243   -0.52603
 36 O    -0.00000    0.23324   -0.12593
 37 Pt    0.00000   -0.36405   -0.04304
 38 Pt    0.00000   -0.00431   -0.01150
 39 O     0.01083    0.01143    0.01559
 40 O    -0.01083    0.01143    0.01559
 41 O    -0.00000    0.00635    0.05844
 42 O    -0.00000    0.03584   -0.01755
 43 Pt    0.00000   -0.00356    0.09455
 44 Pt    0.00000   -0.10440   -0.02364
 45 O    -0.19648   -0.43028    0.18292
 46 O     0.19648   -0.43028    0.18292
 47 O     0.00000   -0.02112   -0.06601
 48 O    -0.00000    0.02233    1.17287
 49 Pt    0.00000   -0.02277   -0.37735
 50 Pt   -0.00000    0.02105   -0.43590
 51 O    -1.69177   -0.01391   -0.71768
 52 O     1.69177   -0.01391   -0.71768
 53 O     0.00000   -0.00988   -1.40561
 54 O     0.00000   -0.00206    1.77390
 55 Pt    0.00000   -0.01233    0.51635
 56 Pt   -0.00000    0.11801    0.65601
 57 O    -1.61430    0.01387    0.09070
 58 O     1.61430    0.01387    0.09070
 59 O     0.00000   -0.02137   -0.51703
 60 O     0.00000   -0.22738   -0.12047
 61 Pt   -0.00000    0.02732   -0.10179
 62 Pt   -0.00000    0.01752   -0.00662
 63 O    -0.01486   -0.00783    0.00338
 64 O     0.01486   -0.00783    0.00338
 65 O    -0.00000    0.00214   -0.00139
 66 O     0.00000   -0.01611   -0.00472
 67 Pt   -0.00000    0.00802    0.01785
 68 Pt   -0.00000    0.14689    0.01949
 69 O    -0.00839    0.00295   -0.02960
 70 O     0.00839    0.00295   -0.02960
 71 O    -0.00000    0.00899   -0.05648
 72 N     0.00000   -0.30498    0.38267
 73 N    -0.00000    0.34092   -0.03414

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    3.495332   24.089571    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.444747   24.438766    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:10:32  -3.10   +inf  -414.183618    3      1      
iter:   2  23:12:42  -3.67  -3.16  -414.384635    3      1      
iter:   3  23:14:51  -3.99  -2.43  -414.177119    3      1      
iter:   4  23:16:56  -4.47  -3.98  -414.175700    3      1      
iter:   5  23:19:05  -4.55  -4.13  -414.177651    2      1      
iter:   6  23:21:12  -4.98  -3.85  -414.175687    3      1      
iter:   7  23:23:19  -5.55  -4.17  -414.176155    2      1      
iter:   8  23:25:26  -5.63  -4.49  -414.175975    3      1      
iter:   9  23:27:34  -5.72  -4.42  -414.176184    2      1      
iter:  10  23:29:40  -6.28  -4.24  -414.176053    2      1      
iter:  11  23:31:47  -6.91  -4.80  -414.175944    2      1      
iter:  12  23:33:48  -7.06  -4.83  -414.176185    2      1      
iter:  13  23:35:45  -7.27  -4.92  -414.176067    1      1      
iter:  14  23:37:43  -7.53  -5.08  -414.176070    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963132, -32.496608, 0.008797) |e|*Ang

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

Kinetic:        +18.533787
Potential:     -137.377424
External:        +0.000000
XC:            -305.045303
Entropy (-ST):   -1.566081
Local:          +10.495910
--------------------------
Free energy:   -414.959111
Extrapolated:  -414.176070

Fermi level: -6.52682

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58960    0.14488
  0   340     -6.58065    0.14031
  0   341     -6.58005    0.14001
  0   342     -6.55215    0.12511

  1   339     -6.50116    0.19386
  1   340     -6.45288    0.14361
  1   341     -6.42021    0.11384
  1   342     -6.41391    0.10859



Forces in eV/Ang:
  0 O     0.00000   -0.01752    1.17445
  1 Pt    0.00000   -0.00292   -0.37490
  2 Pt    0.00000   -0.01896   -0.43381
  3 O    -1.68256    0.00030   -0.71881
  4 O     1.68256    0.00030   -0.71881
  5 O     0.00000   -0.01182   -1.38665
  6 O     0.00000   -0.00285    1.76861
  7 Pt   -0.00000    0.01378    0.45178
  8 Pt    0.00000   -0.03976    0.75269
  9 O    -1.58094    0.00052    0.05108
 10 O     1.58094    0.00052    0.05108
 11 O     0.00000   -0.00888   -0.56676
 12 O    -0.00000    0.01317    0.13956
 13 Pt   -0.00000    0.31364   -0.03592
 14 Pt    0.00000   -0.01960    0.00920
 15 O    -0.00061    0.01076    0.00289
 16 O     0.00061    0.01076    0.00289
 17 O    -0.00000    0.01699   -1.18348
 18 O    -0.00000    0.00271    0.02777
 19 Pt    0.00000   -0.02496    0.13965
 20 Pt    0.00000   -0.06526    0.15318
 21 O    -0.21875    0.40620    0.24128
 22 O     0.21875    0.40620    0.24128
 23 O     0.00000   -0.01748   -0.08104
 24 O     0.00000   -0.00090    1.15029
 25 Pt   -0.00000    0.01765   -0.37796
 26 Pt    0.00000   -0.00015   -0.43494
 27 O    -1.69119    0.01334   -0.71813
 28 O     1.69119    0.01334   -0.71813
 29 O    -0.00000    0.04435   -1.38991
 30 O     0.00000   -0.00435    1.83481
 31 Pt   -0.00000    0.01951    0.51170
 32 Pt    0.00000   -0.13677    0.58412
 33 O    -1.61394   -0.01920    0.07011
 34 O     1.61394   -0.01920    0.07011
 35 O     0.00000   -0.03242   -0.52595
 36 O    -0.00000    0.23317   -0.12630
 37 Pt    0.00000   -0.36487   -0.04316
 38 Pt    0.00000   -0.00450   -0.01158
 39 O     0.01045    0.01143    0.01504
 40 O    -0.01045    0.01143    0.01504
 41 O    -0.00000    0.00648    0.06231
 42 O    -0.00000    0.03630   -0.01842
 43 Pt    0.00000   -0.00383    0.09867
 44 Pt    0.00000   -0.10387   -0.02364
 45 O    -0.19657   -0.43144    0.18547
 46 O     0.19657   -0.43144    0.18547
 47 O     0.00000   -0.02169   -0.06345
 48 O    -0.00000    0.02233    1.17230
 49 Pt    0.00000   -0.02280   -0.37715
 50 Pt   -0.00000    0.02102   -0.43625
 51 O    -1.69056   -0.01396   -0.71820
 52 O     1.69056   -0.01396   -0.71820
 53 O     0.00000   -0.00983   -1.40589
 54 O     0.00000   -0.00203    1.77770
 55 Pt    0.00000   -0.01232    0.51732
 56 Pt   -0.00000    0.11795    0.65657
 57 O    -1.61440    0.01395    0.09025
 58 O     1.61440    0.01395    0.09025
 59 O     0.00000   -0.02134   -0.51716
 60 O     0.00000   -0.22772   -0.12077
 61 Pt   -0.00000    0.02789   -0.10176
 62 Pt   -0.00000    0.01753   -0.00646
 63 O    -0.01513   -0.00792    0.00286
 64 O     0.01513   -0.00792    0.00286
 65 O    -0.00000    0.00219    0.00178
 66 O     0.00000   -0.01623   -0.00552
 67 Pt   -0.00000    0.00780    0.02117
 68 Pt   -0.00000    0.14696    0.02463
 69 O    -0.00838    0.00284   -0.02699
 70 O     0.00838    0.00284   -0.02699
 71 O    -0.00000    0.00894   -0.05398
 72 N     0.00000   -0.30749    0.41770
 73 N    -0.00000    0.15016   -0.06979

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    3.513592   24.092592    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.471644   24.462440    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:44:06  -2.55   +inf  -414.190528    3      1      
iter:   2  23:46:17  -3.35  -3.21  -414.255454    3      1      
iter:   3  23:48:26  -3.81  -2.65  -414.181010    3      1      
iter:   4  23:50:32  -4.19  -3.24  -414.183482    3      1      
iter:   5  23:52:40  -4.06  -3.72  -414.179151    3      1      
iter:   6  23:54:47  -4.43  -3.56  -414.179553    3      1      
iter:   7  23:56:55  -4.88  -3.84  -414.179691    3      1      
iter:   8  23:59:03  -5.23  -4.14  -414.181309    2      1      
iter:   9  00:01:11  -5.30  -3.55  -414.179387    3      1      
iter:  10  00:03:18  -5.44  -4.45  -414.179946    3      1      
iter:  11  00:05:25  -6.02  -4.22  -414.179441    2      1      
iter:  12  00:07:33  -6.62  -4.51  -414.179579    2      1      
iter:  13  00:09:40  -6.64  -4.63  -414.179495    2      1      
iter:  14  00:11:49  -7.01  -4.89  -414.179581    2      1      
iter:  15  00:13:55  -7.09  -4.52  -414.179456    2      1      
iter:  16  00:16:02  -7.42  -4.66  -414.179505    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963172, -32.495957, 0.008538) |e|*Ang

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

Kinetic:        +18.703184
Potential:     -137.513736
External:        +0.000000
XC:            -305.083363
Entropy (-ST):   -1.566075
Local:          +10.497447
--------------------------
Free energy:   -414.962543
Extrapolated:  -414.179505

Fermi level: -6.52744

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59006    0.14481
  0   340     -6.58113    0.14024
  0   341     -6.58055    0.13994
  0   342     -6.55289    0.12517

  1   339     -6.50168    0.19376
  1   340     -6.45342    0.14353
  1   341     -6.42091    0.11391
  1   342     -6.41452    0.10858



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17403
  1 Pt    0.00000   -0.00293   -0.37593
  2 Pt    0.00000   -0.01899   -0.43459
  3 O    -1.68314    0.00029   -0.71883
  4 O     1.68314    0.00029   -0.71883
  5 O     0.00000   -0.01178   -1.38615
  6 O     0.00000   -0.00275    1.76664
  7 Pt   -0.00000    0.01374    0.45144
  8 Pt    0.00000   -0.03962    0.75238
  9 O    -1.58091    0.00053    0.05143
 10 O     1.58091    0.00053    0.05143
 11 O     0.00000   -0.00887   -0.56665
 12 O    -0.00000    0.01323    0.13941
 13 Pt   -0.00000    0.31448   -0.03636
 14 Pt    0.00000   -0.01993    0.00852
 15 O    -0.00069    0.01074    0.00289
 16 O     0.00069    0.01074    0.00289
 17 O    -0.00000    0.01645   -1.18748
 18 O    -0.00000    0.00272    0.02788
 19 Pt    0.00000   -0.02496    0.14169
 20 Pt    0.00000   -0.06426    0.15845
 21 O    -0.21874    0.40673    0.24301
 22 O     0.21874    0.40673    0.24301
 23 O     0.00000   -0.01720   -0.07910
 24 O     0.00000   -0.00089    1.14987
 25 Pt   -0.00000    0.01766   -0.37887
 26 Pt    0.00000   -0.00013   -0.43572
 27 O    -1.69173    0.01333   -0.71811
 28 O     1.69173    0.01333   -0.71811
 29 O    -0.00000    0.04428   -1.38941
 30 O     0.00000   -0.00441    1.83293
 31 Pt   -0.00000    0.01953    0.51123
 32 Pt    0.00000   -0.13669    0.58395
 33 O    -1.61396   -0.01919    0.07038
 34 O     1.61396   -0.01919    0.07038
 35 O     0.00000   -0.03240   -0.52596
 36 O    -0.00000    0.23356   -0.12671
 37 Pt    0.00000   -0.36611   -0.04384
 38 Pt    0.00000   -0.00432   -0.01236
 39 O     0.01053    0.01139    0.01496
 40 O    -0.01053    0.01139    0.01496
 41 O    -0.00000    0.00686    0.06354
 42 O    -0.00000    0.03636   -0.01827
 43 Pt    0.00000   -0.00397    0.10125
 44 Pt    0.00000   -0.10319   -0.02499
 45 O    -0.19659   -0.43271    0.18786
 46 O     0.19659   -0.43271    0.18786
 47 O     0.00000   -0.02189   -0.06169
 48 O    -0.00000    0.02234    1.17186
 49 Pt    0.00000   -0.02282   -0.37815
 50 Pt   -0.00000    0.02104   -0.43711
 51 O    -1.69112   -0.01394   -0.71819
 52 O     1.69112   -0.01394   -0.71819
 53 O     0.00000   -0.00978   -1.40546
 54 O     0.00000   -0.00209    1.77566
 55 Pt    0.00000   -0.01230    0.51694
 56 Pt   -0.00000    0.11771    0.65650
 57 O    -1.61439    0.01391    0.09054
 58 O     1.61439    0.01391    0.09054
 59 O     0.00000   -0.02138   -0.51691
 60 O     0.00000   -0.22836   -0.12098
 61 Pt   -0.00000    0.02866   -0.10266
 62 Pt   -0.00000    0.01765   -0.00734
 63 O    -0.01512   -0.00782    0.00282
 64 O     0.01512   -0.00782    0.00282
 65 O    -0.00000    0.00228   -0.00032
 66 O     0.00000   -0.01618   -0.00545
 67 Pt   -0.00000    0.00786    0.02318
 68 Pt   -0.00000    0.14682    0.02759
 69 O    -0.00806    0.00277   -0.02543
 70 O     0.00806    0.00277   -0.02543
 71 O    -0.00000    0.00889   -0.05221
 72 N    -0.00000    0.05610    0.35217
 73 N    -0.00000    0.10949   -0.02835

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    3.537334   24.099862    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.501483   24.489079    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:24:14  -2.44   +inf  -414.187496    3      1      
iter:   2  00:26:23  -3.32  -3.63  -414.185836    3      1      
iter:   3  00:28:31  -3.81  -3.67  -414.193767    3      1      
iter:   4  00:30:39  -4.01  -3.22  -414.200720    3      1      
iter:   5  00:32:46  -4.08  -3.03  -414.183466    3      1      
iter:   6  00:34:54  -4.63  -3.59  -414.184389    3      1      
iter:   7  00:37:02  -4.99  -4.20  -414.184410    3      1      
iter:   8  00:39:11  -5.03  -4.04  -414.184716    3      1      
iter:   9  00:41:18  -5.33  -4.05  -414.184064    3      1      
iter:  10  00:43:23  -6.06  -4.59  -414.184297    2      1      
iter:  11  00:45:31  -6.47  -4.54  -414.184080    2      1      
iter:  12  00:47:38  -6.61  -4.57  -414.184384    2      1      
iter:  13  00:49:37  -6.76  -4.09  -414.184127    2      1      
iter:  14  00:51:35  -7.03  -4.71  -414.184053    2      1      
iter:  15  00:53:33  -7.51  -4.99  -414.184178    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963163, -32.495160, 0.006526) |e|*Ang

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

Kinetic:        +18.588209
Potential:     -137.441415
External:        +0.000000
XC:            -305.047093
Entropy (-ST):   -1.565867
Local:          +10.499053
--------------------------
Free energy:   -414.967112
Extrapolated:  -414.184178

Fermi level: -6.52895

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59120    0.14462
  0   340     -6.58272    0.14029
  0   341     -6.58215    0.13999
  0   342     -6.55440    0.12518

  1   339     -6.50320    0.19377
  1   340     -6.45503    0.14364
  1   341     -6.42252    0.11400
  1   342     -6.41596    0.10852



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17428
  1 Pt    0.00000   -0.00294   -0.37581
  2 Pt    0.00000   -0.01895   -0.43434
  3 O    -1.68279    0.00031   -0.71870
  4 O     1.68279    0.00031   -0.71870
  5 O     0.00000   -0.01183   -1.38662
  6 O     0.00000   -0.00283    1.76777
  7 Pt   -0.00000    0.01376    0.45171
  8 Pt    0.00000   -0.03970    0.75298
  9 O    -1.58057    0.00052    0.05162
 10 O     1.58057    0.00052    0.05162
 11 O     0.00000   -0.00893   -0.56671
 12 O    -0.00000    0.01371    0.13957
 13 Pt   -0.00000    0.31499   -0.03505
 14 Pt    0.00000   -0.01965    0.00966
 15 O    -0.00033    0.01074    0.00319
 16 O     0.00033    0.01074    0.00319
 17 O    -0.00000    0.01609   -1.18906
 18 O    -0.00000    0.00281    0.02785
 19 Pt    0.00000   -0.02495    0.13978
 20 Pt    0.00000   -0.06178    0.15831
 21 O    -0.21925    0.40709    0.24180
 22 O     0.21925    0.40709    0.24180
 23 O     0.00000   -0.01792   -0.08055
 24 O     0.00000   -0.00090    1.15011
 25 Pt   -0.00000    0.01766   -0.37883
 26 Pt    0.00000   -0.00016   -0.43549
 27 O    -1.69141    0.01333   -0.71801
 28 O     1.69141    0.01333   -0.71801
 29 O    -0.00000    0.04427   -1.39001
 30 O     0.00000   -0.00434    1.83413
 31 Pt   -0.00000    0.01956    0.51158
 32 Pt    0.00000   -0.13653    0.58479
 33 O    -1.61351   -0.01922    0.07058
 34 O     1.61351   -0.01922    0.07058
 35 O     0.00000   -0.03237   -0.52592
 36 O    -0.00000    0.23383   -0.12713
 37 Pt    0.00000   -0.36738   -0.04314
 38 Pt    0.00000   -0.00450   -0.01145
 39 O     0.01067    0.01144    0.01536
 40 O    -0.01067    0.01144    0.01536
 41 O    -0.00000    0.00700    0.06795
 42 O    -0.00000    0.03649   -0.01847
 43 Pt    0.00000   -0.00427    0.09906
 44 Pt    0.00000   -0.10330   -0.03001
 45 O    -0.19809   -0.43442    0.18755
 46 O     0.19809   -0.43442    0.18755
 47 O     0.00000   -0.02097   -0.06332
 48 O    -0.00000    0.02233    1.17214
 49 Pt    0.00000   -0.02281   -0.37807
 50 Pt   -0.00000    0.02103   -0.43687
 51 O    -1.69078   -0.01395   -0.71807
 52 O     1.69078   -0.01395   -0.71807
 53 O     0.00000   -0.00971   -1.40591
 54 O     0.00000   -0.00206    1.77688
 55 Pt    0.00000   -0.01235    0.51729
 56 Pt   -0.00000    0.11758    0.65702
 57 O    -1.61401    0.01396    0.09070
 58 O     1.61401    0.01396    0.09070
 59 O     0.00000   -0.02135   -0.51717
 60 O     0.00000   -0.22930   -0.12099
 61 Pt   -0.00000    0.02975   -0.10199
 62 Pt   -0.00000    0.01754   -0.00610
 63 O    -0.01487   -0.00786    0.00300
 64 O     0.01487   -0.00786    0.00300
 65 O    -0.00000    0.00234    0.00289
 66 O     0.00000   -0.01634   -0.00569
 67 Pt   -0.00000    0.00807    0.02148
 68 Pt   -0.00000    0.14638    0.02496
 69 O    -0.00849    0.00331   -0.02663
 70 O     0.00849    0.00331   -0.02663
 71 O    -0.00000    0.00870   -0.05350
 72 N     0.00000   -0.16608    0.39159
 73 N    -0.00000    0.19568    0.02914

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    3.556070   24.105888    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.529114   24.513934    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:01:41  -2.51   +inf  -414.195715    3      1      
iter:   2  01:03:52  -3.34  -3.21  -414.307318    3      1      
iter:   3  01:06:00  -3.80  -2.56  -414.188480    2      1      
iter:   4  01:08:06  -4.20  -3.56  -414.192680    3      1      
iter:   5  01:10:14  -4.09  -3.62  -414.187666    3      1      
iter:   6  01:12:22  -4.43  -3.46  -414.188154    3      1      
iter:   7  01:14:31  -4.93  -3.96  -414.187666    3      1      
iter:   8  01:16:39  -5.10  -4.24  -414.188199    3      1      
iter:   9  01:18:46  -5.32  -4.29  -414.188044    3      1      
iter:  10  01:20:54  -5.81  -3.90  -414.187859    2      1      
iter:  11  01:23:01  -6.42  -4.38  -414.188032    2      1      
iter:  12  01:25:08  -6.69  -4.60  -414.187610    2      1      
iter:  13  01:27:16  -6.65  -4.45  -414.187852    2      1      
iter:  14  01:29:23  -6.91  -4.85  -414.187753    2      1      
iter:  15  01:31:30  -7.19  -4.89  -414.187897    2      1      
iter:  16  01:33:40  -7.84  -4.73  -414.187846    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963219, -32.494406, 0.005928) |e|*Ang

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

Kinetic:        +18.738164
Potential:     -137.562294
External:        +0.000000
XC:            -305.084803
Entropy (-ST):   -1.565993
Local:          +10.504083
--------------------------
Free energy:   -414.970842
Extrapolated:  -414.187846

Fermi level: -6.52951

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59162    0.14455
  0   340     -6.58319    0.14024
  0   341     -6.58263    0.13995
  0   342     -6.55509    0.12524

  1   339     -6.50379    0.19379
  1   340     -6.45553    0.14357
  1   341     -6.42318    0.11408
  1   342     -6.41652    0.10852



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17385
  1 Pt    0.00000   -0.00296   -0.37603
  2 Pt    0.00000   -0.01899   -0.43437
  3 O    -1.68291    0.00029   -0.71887
  4 O     1.68291    0.00029   -0.71887
  5 O     0.00000   -0.01180   -1.38643
  6 O     0.00000   -0.00275    1.76761
  7 Pt   -0.00000    0.01376    0.45153
  8 Pt    0.00000   -0.03958    0.75286
  9 O    -1.58071    0.00054    0.05149
 10 O     1.58071    0.00054    0.05149
 11 O     0.00000   -0.00884   -0.56665
 12 O    -0.00000    0.01374    0.13942
 13 Pt   -0.00000    0.31601   -0.03562
 14 Pt    0.00000   -0.01991    0.00854
 15 O    -0.00056    0.01078    0.00289
 16 O     0.00056    0.01078    0.00289
 17 O    -0.00000    0.01560   -1.19202
 18 O    -0.00000    0.00272    0.02807
 19 Pt    0.00000   -0.02455    0.14280
 20 Pt    0.00000   -0.05985    0.16984
 21 O    -0.21910    0.40770    0.24443
 22 O     0.21910    0.40770    0.24443
 23 O     0.00000   -0.01709   -0.07817
 24 O     0.00000   -0.00087    1.14968
 25 Pt   -0.00000    0.01768   -0.37898
 26 Pt    0.00000   -0.00013   -0.43553
 27 O    -1.69151    0.01332   -0.71816
 28 O     1.69151    0.01332   -0.71816
 29 O    -0.00000    0.04421   -1.38976
 30 O     0.00000   -0.00440    1.83400
 31 Pt   -0.00000    0.01956    0.51143
 32 Pt    0.00000   -0.13652    0.58479
 33 O    -1.61373   -0.01920    0.07049
 34 O     1.61373   -0.01920    0.07049
 35 O     0.00000   -0.03244   -0.52594
 36 O    -0.00000    0.23391   -0.12717
 37 Pt    0.00000   -0.36836   -0.04396
 38 Pt    0.00000   -0.00431   -0.01241
 39 O     0.01064    0.01144    0.01502
 40 O    -0.01064    0.01144    0.01502
 41 O    -0.00000    0.00744    0.06897
 42 O    -0.00000    0.03690   -0.01847
 43 Pt    0.00000   -0.00471    0.10383
 44 Pt    0.00000   -0.10350   -0.02804
 45 O    -0.19896   -0.43563    0.19386
 46 O     0.19896   -0.43563    0.19386
 47 O     0.00000   -0.02193   -0.06155
 48 O    -0.00000    0.02235    1.17168
 49 Pt    0.00000   -0.02282   -0.37828
 50 Pt   -0.00000    0.02104   -0.43692
 51 O    -1.69089   -0.01393   -0.71824
 52 O     1.69089   -0.01393   -0.71824
 53 O     0.00000   -0.00967   -1.40574
 54 O     0.00000   -0.00208    1.77668
 55 Pt    0.00000   -0.01234    0.51708
 56 Pt   -0.00000    0.11742    0.65704
 57 O    -1.61421    0.01391    0.09059
 58 O     1.61421    0.01391    0.09059
 59 O     0.00000   -0.02137   -0.51696
 60 O     0.00000   -0.22953   -0.12119
 61 Pt   -0.00000    0.03006   -0.10274
 62 Pt   -0.00000    0.01757   -0.00714
 63 O    -0.01503   -0.00788    0.00285
 64 O     0.01503   -0.00788    0.00285
 65 O    -0.00000    0.00227    0.00077
 66 O     0.00000   -0.01656   -0.00562
 67 Pt   -0.00000    0.00801    0.02300
 68 Pt   -0.00000    0.14641    0.02815
 69 O    -0.00796    0.00316   -0.02481
 70 O     0.00796    0.00316   -0.02481
 71 O    -0.00000    0.00896   -0.05195
 72 N    -0.00000    0.01246    0.30756
 73 N    -0.00000    0.04469    0.14638

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    3.574307   24.111324    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.555038   24.538576    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:41:27  -2.54   +inf  -414.197637    3      1      
iter:   2  01:43:37  -3.37  -3.27  -414.292374    3      1      
iter:   3  01:45:49  -3.83  -2.60  -414.192968    2      1      
iter:   4  01:47:58  -4.20  -3.69  -414.196975    3      1      
iter:   5  01:50:04  -4.10  -3.58  -414.191344    3      1      
iter:   6  01:52:11  -4.56  -3.65  -414.192439    2      1      
iter:   7  01:54:18  -5.01  -4.08  -414.192218    3      1      
iter:   8  01:56:23  -5.12  -4.07  -414.192324    3      1      
iter:   9  01:58:30  -5.48  -4.19  -414.192337    2      1      
iter:  10  02:00:36  -5.97  -4.24  -414.192247    2      1      
iter:  11  02:02:45  -6.60  -4.50  -414.192530    2      1      
iter:  12  02:04:51  -6.67  -4.53  -414.191870    2      1      
iter:  13  02:07:00  -6.72  -4.47  -414.192190    2      1      
iter:  14  02:09:02  -7.11  -4.98  -414.192181    2      1      
iter:  15  02:10:59  -7.70  -4.95  -414.192216    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963191, -32.493848, 0.005677) |e|*Ang

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

Kinetic:        +18.743155
Potential:     -137.579101
External:        +0.000000
XC:            -305.076606
Entropy (-ST):   -1.565904
Local:          +10.503288
--------------------------
Free energy:   -414.975168
Extrapolated:  -414.192216

Fermi level: -6.53040

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59265    0.14462
  0   340     -6.58379    0.14009
  0   341     -6.58324    0.13980
  0   342     -6.55617    0.12535

  1   339     -6.50439    0.19349
  1   340     -6.45618    0.14335
  1   341     -6.42415    0.11415
  1   342     -6.41744    0.10855



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17451
  1 Pt    0.00000   -0.00295   -0.37643
  2 Pt    0.00000   -0.01897   -0.43459
  3 O    -1.68489    0.00030   -0.71854
  4 O     1.68489    0.00030   -0.71854
  5 O     0.00000   -0.01184   -1.38609
  6 O     0.00000   -0.00286    1.76018
  7 Pt   -0.00000    0.01379    0.44898
  8 Pt    0.00000   -0.03963    0.75108
  9 O    -1.58086    0.00055    0.05109
 10 O     1.58086    0.00055    0.05109
 11 O     0.00000   -0.00888   -0.56709
 12 O    -0.00000    0.01404    0.13949
 13 Pt   -0.00000    0.31657   -0.03684
 14 Pt    0.00000   -0.01969    0.00819
 15 O     0.00017    0.01076    0.00294
 16 O    -0.00017    0.01076    0.00294
 17 O    -0.00000    0.01522   -1.20057
 18 O    -0.00000    0.00291    0.02893
 19 Pt    0.00000   -0.02471    0.14007
 20 Pt    0.00000   -0.05770    0.16988
 21 O    -0.21842    0.40736    0.24310
 22 O     0.21842    0.40736    0.24310
 23 O     0.00000   -0.01762   -0.07901
 24 O     0.00000   -0.00087    1.15035
 25 Pt   -0.00000    0.01769   -0.37944
 26 Pt    0.00000   -0.00014   -0.43579
 27 O    -1.69350    0.01332   -0.71784
 28 O     1.69350    0.01332   -0.71784
 29 O    -0.00000    0.04421   -1.38954
 30 O     0.00000   -0.00435    1.82658
 31 Pt   -0.00000    0.01959    0.50899
 32 Pt    0.00000   -0.13637    0.58318
 33 O    -1.61382   -0.01922    0.07009
 34 O     1.61382   -0.01922    0.07009
 35 O     0.00000   -0.03240   -0.52636
 36 O    -0.00000    0.23433   -0.12755
 37 Pt    0.00000   -0.36943   -0.04552
 38 Pt    0.00000   -0.00446   -0.01287
 39 O     0.01117    0.01152    0.01506
 40 O    -0.01117    0.01152    0.01506
 41 O    -0.00000    0.00747    0.06498
 42 O    -0.00000    0.03687   -0.01770
 43 Pt    0.00000   -0.00481    0.10059
 44 Pt    0.00000   -0.10351   -0.03392
 45 O    -0.19902   -0.43642    0.19344
 46 O     0.19902   -0.43642    0.19344
 47 O     0.00000   -0.02130   -0.06273
 48 O    -0.00000    0.02234    1.17237
 49 Pt    0.00000   -0.02284   -0.37870
 50 Pt   -0.00000    0.02103   -0.43712
 51 O    -1.69288   -0.01394   -0.71790
 52 O     1.69288   -0.01394   -0.71790
 53 O     0.00000   -0.00962   -1.40537
 54 O     0.00000   -0.00204    1.76930
 55 Pt    0.00000   -0.01239    0.51459
 56 Pt   -0.00000    0.11729    0.65521
 57 O    -1.61434    0.01392    0.09019
 58 O     1.61434    0.01392    0.09019
 59 O     0.00000   -0.02137   -0.51753
 60 O     0.00000   -0.23043   -0.12130
 61 Pt   -0.00000    0.03087   -0.10429
 62 Pt   -0.00000    0.01747   -0.00739
 63 O    -0.01444   -0.00792    0.00287
 64 O     0.01444   -0.00792    0.00287
 65 O    -0.00000    0.00241   -0.00462
 66 O     0.00000   -0.01665   -0.00478
 67 Pt   -0.00000    0.00822    0.02004
 68 Pt   -0.00000    0.14581    0.02478
 69 O    -0.00719    0.00364   -0.02640
 70 O     0.00719    0.00364   -0.02640
 71 O    -0.00000    0.00889   -0.05284
 72 N    -0.00000    0.00040    0.30920
 73 N    -0.00000    0.06513    0.12336

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    3.596275   24.120429    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.583839   24.566181    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:18:32  -2.43   +inf  -414.281892    3      1      
iter:   2  02:20:42  -2.84  -2.63  -416.569324    3      1      
iter:   3  02:22:49  -3.24  -1.93  -414.207726    3      1      
iter:   4  02:24:55  -3.85  -3.24  -414.201438    2      1      
iter:   5  02:27:01  -3.93  -3.66  -414.195343    3      1      
iter:   6  02:29:07  -4.39  -3.69  -414.196366    3      1      
iter:   7  02:31:13  -4.74  -3.90  -414.197062    3      1      
iter:   8  02:33:20  -5.16  -3.97  -414.198117    3      1      
iter:   9  02:35:27  -5.55  -3.96  -414.196785    3      1      
iter:  10  02:37:32  -5.60  -3.86  -414.197001    3      1      
iter:  11  02:39:39  -5.79  -4.42  -414.197183    2      1      
iter:  12  02:41:46  -6.07  -4.28  -414.196598    2      1      
iter:  13  02:43:54  -6.51  -4.29  -414.196801    2      1      
iter:  14  02:46:00  -6.76  -4.69  -414.196780    2      1      
iter:  15  02:48:04  -6.74  -4.79  -414.197166    2      1      
iter:  16  02:50:01  -6.92  -4.29  -414.196847    2      1      
iter:  17  02:51:58  -7.29  -4.54  -414.196766    2      1      
iter:  18  02:53:56  -7.77  -4.88  -414.196908    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963114, -32.493367, 0.003041) |e|*Ang

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

Kinetic:        +18.566783
Potential:     -137.445422
External:        +0.000000
XC:            -305.035728
Entropy (-ST):   -1.565768
Local:          +10.500343
--------------------------
Free energy:   -414.979792
Extrapolated:  -414.196908

Fermi level: -6.53137

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59298    0.14429
  0   340     -6.58523    0.14033
  0   341     -6.58462    0.14001
  0   342     -6.55704    0.12529

  1   339     -6.50571    0.19386
  1   340     -6.45753    0.14371
  1   341     -6.42527    0.11427
  1   342     -6.41832    0.10847



Forces in eV/Ang:
  0 O     0.00000   -0.01757    1.17461
  1 Pt    0.00000   -0.00298   -0.37508
  2 Pt    0.00000   -0.01902   -0.43339
  3 O    -1.68209    0.00028   -0.71866
  4 O     1.68209    0.00028   -0.71866
  5 O     0.00000   -0.01180   -1.38698
  6 O     0.00000   -0.00274    1.77063
  7 Pt   -0.00000    0.01378    0.45236
  8 Pt    0.00000   -0.03953    0.75314
  9 O    -1.58060    0.00056    0.05102
 10 O     1.58060    0.00056    0.05102
 11 O     0.00000   -0.00884   -0.56656
 12 O    -0.00000    0.01400    0.13954
 13 Pt   -0.00000    0.31738   -0.03336
 14 Pt    0.00000   -0.01989    0.01056
 15 O    -0.00069    0.01081    0.00310
 16 O     0.00069    0.01081    0.00310
 17 O    -0.00000    0.01481   -1.19208
 18 O    -0.00000    0.00302    0.02803
 19 Pt    0.00000   -0.02446    0.14057
 20 Pt    0.00000   -0.05514    0.17816
 21 O    -0.22019    0.40901    0.24208
 22 O     0.22019    0.40901    0.24208
 23 O     0.00000   -0.01742   -0.07983
 24 O     0.00000   -0.00085    1.15044
 25 Pt   -0.00000    0.01771   -0.37799
 26 Pt    0.00000   -0.00011   -0.43457
 27 O    -1.69067    0.01331   -0.71795
 28 O     1.69067    0.01331   -0.71795
 29 O    -0.00000    0.04414   -1.39036
 30 O     0.00000   -0.00442    1.83713
 31 Pt   -0.00000    0.01959    0.51229
 32 Pt    0.00000   -0.13639    0.58526
 33 O    -1.61362   -0.01919    0.06999
 34 O     1.61362   -0.01919    0.06999
 35 O     0.00000   -0.03246   -0.52592
 36 O    -0.00000    0.23419   -0.12736
 37 Pt    0.00000   -0.37023   -0.04208
 38 Pt    0.00000   -0.00433   -0.01040
 39 O     0.01050    0.01146    0.01534
 40 O    -0.01050    0.01146    0.01534
 41 O    -0.00000    0.00792    0.07717
 42 O    -0.00000    0.03700   -0.01876
 43 Pt    0.00000   -0.00521    0.10245
 44 Pt    0.00000   -0.10462   -0.03329
 45 O    -0.20224   -0.43865    0.19677
 46 O     0.20224   -0.43865    0.19677
 47 O     0.00000   -0.02160   -0.06424
 48 O    -0.00000    0.02236    1.17245
 49 Pt    0.00000   -0.02284   -0.37734
 50 Pt   -0.00000    0.02104   -0.43601
 51 O    -1.69007   -0.01391   -0.71803
 52 O     1.69007   -0.01391   -0.71803
 53 O     0.00000   -0.00959   -1.40629
 54 O     0.00000   -0.00206    1.77964
 55 Pt    0.00000   -0.01239    0.51793
 56 Pt   -0.00000    0.11717    0.65740
 57 O    -1.61412    0.01389    0.09008
 58 O     1.61412    0.01389    0.09008
 59 O     0.00000   -0.02135   -0.51689
 60 O     0.00000   -0.23036   -0.12115
 61 Pt   -0.00000    0.03113   -0.10110
 62 Pt   -0.00000    0.01752   -0.00497
 63 O    -0.01517   -0.00791    0.00312
 64 O     0.01517   -0.00791    0.00312
 65 O    -0.00000    0.00227    0.00458
 66 O     0.00000   -0.01687   -0.00583
 67 Pt   -0.00000    0.00828    0.01936
 68 Pt   -0.00000    0.14631    0.02469
 69 O    -0.00825    0.00365   -0.02795
 70 O     0.00825    0.00365   -0.02795
 71 O    -0.00000    0.00906   -0.05416
 72 N     0.00000   -0.11449    0.36817
 73 N    -0.00000    0.13306   -0.00638

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    3.610883   24.126607    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.607521   24.586416    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:58:35  -2.66   +inf  -414.240145    3      1      
iter:   2  03:00:46  -3.16  -2.81  -415.198364    3      1      
iter:   3  03:02:56  -3.56  -2.11  -414.203508    3      1      
iter:   4  03:05:07  -4.09  -3.22  -414.204742    3      1      
iter:   5  03:07:18  -4.42  -3.72  -414.200676    3      1      
iter:   6  03:09:27  -4.46  -3.59  -414.200793    3      1      
iter:   7  03:11:38  -4.82  -3.61  -414.200729    3      1      
iter:   8  03:13:49  -5.10  -3.91  -414.200838    3      1      
iter:   9  03:16:00  -5.61  -3.96  -414.201430    2      1      
iter:  10  03:18:10  -5.59  -3.68  -414.200434    3      1      
iter:  11  03:20:22  -5.67  -4.27  -414.201080    2      1      
iter:  12  03:22:33  -6.45  -4.22  -414.200472    2      1      
iter:  13  03:24:45  -6.57  -4.53  -414.200576    2      1      
iter:  14  03:26:43  -6.80  -4.54  -414.200581    2      1      
iter:  15  03:28:41  -6.75  -4.49  -414.200625    2      1      
iter:  16  03:30:38  -7.36  -4.50  -414.200715    2      1      
iter:  17  03:32:36  -7.89  -4.88  -414.200564    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963192, -32.492966, 0.004555) |e|*Ang

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

Kinetic:        +18.879288
Potential:     -137.689296
External:        +0.000000
XC:            -305.109213
Entropy (-ST):   -1.566061
Local:          +10.501688
--------------------------
Free energy:   -414.983594
Extrapolated:  -414.200564

Fermi level: -6.53033

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59205    0.14435
  0   340     -6.58391    0.14019
  0   341     -6.58338    0.13991
  0   342     -6.55622    0.12541

  1   339     -6.50465    0.19384
  1   340     -6.45625    0.14348
  1   341     -6.42432    0.11435
  1   342     -6.41735    0.10853



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17435
  1 Pt    0.00000   -0.00297   -0.37507
  2 Pt    0.00000   -0.01903   -0.43310
  3 O    -1.68285    0.00027   -0.71870
  4 O     1.68285    0.00027   -0.71870
  5 O     0.00000   -0.01180   -1.38638
  6 O     0.00000   -0.00277    1.76858
  7 Pt   -0.00000    0.01378    0.45168
  8 Pt    0.00000   -0.03951    0.75299
  9 O    -1.58084    0.00058    0.05183
 10 O     1.58084    0.00058    0.05183
 11 O     0.00000   -0.00883   -0.56701
 12 O    -0.00000    0.01407    0.13947
 13 Pt   -0.00000    0.31783   -0.03511
 14 Pt    0.00000   -0.01992    0.00895
 15 O    -0.00037    0.01077    0.00320
 16 O     0.00037    0.01077    0.00320
 17 O    -0.00000    0.01435   -1.20077
 18 O    -0.00000    0.00300    0.02892
 19 Pt    0.00000   -0.02429    0.14088
 20 Pt    0.00000   -0.05368    0.18266
 21 O    -0.21878    0.40851    0.24537
 22 O     0.21878    0.40851    0.24537
 23 O     0.00000   -0.01716   -0.07907
 24 O     0.00000   -0.00084    1.15017
 25 Pt   -0.00000    0.01771   -0.37798
 26 Pt    0.00000   -0.00010   -0.43432
 27 O    -1.69141    0.01332   -0.71799
 28 O     1.69141    0.01332   -0.71799
 29 O    -0.00000    0.04411   -1.38979
 30 O     0.00000   -0.00444    1.83507
 31 Pt   -0.00000    0.01962    0.51166
 32 Pt    0.00000   -0.13633    0.58524
 33 O    -1.61387   -0.01920    0.07081
 34 O     1.61387   -0.01920    0.07081
 35 O     0.00000   -0.03246   -0.52635
 36 O    -0.00000    0.23441   -0.12759
 37 Pt    0.00000   -0.37101   -0.04435
 38 Pt    0.00000   -0.00428   -0.01212
 39 O     0.01078    0.01150    0.01536
 40 O    -0.01078    0.01150    0.01536
 41 O    -0.00000    0.00821    0.07093
 42 O    -0.00000    0.03705   -0.01797
 43 Pt    0.00000   -0.00550    0.10296
 44 Pt    0.00000   -0.10475   -0.03692
 45 O    -0.20178   -0.43865    0.20206
 46 O     0.20178   -0.43865    0.20206
 47 O     0.00000   -0.02204   -0.06413
 48 O    -0.00000    0.02236    1.17218
 49 Pt    0.00000   -0.02285   -0.37735
 50 Pt   -0.00000    0.02104   -0.43576
 51 O    -1.69083   -0.01391   -0.71806
 52 O     1.69083   -0.01391   -0.71806
 53 O     0.00000   -0.00955   -1.40568
 54 O     0.00000   -0.00203    1.77753
 55 Pt    0.00000   -0.01241    0.51729
 56 Pt   -0.00000    0.11708    0.65724
 57 O    -1.61435    0.01387    0.09089
 58 O     1.61435    0.01387    0.09089
 59 O     0.00000   -0.02137   -0.51728
 60 O     0.00000   -0.23075   -0.12131
 61 Pt   -0.00000    0.03172   -0.10303
 62 Pt   -0.00000    0.01748   -0.00653
 63 O    -0.01493   -0.00791    0.00321
 64 O     0.01493   -0.00791    0.00321
 65 O    -0.00000    0.00226   -0.00198
 66 O     0.00000   -0.01682   -0.00486
 67 Pt   -0.00000    0.00832    0.01876
 68 Pt   -0.00000    0.14614    0.02496
 69 O    -0.00692    0.00373   -0.02533
 70 O     0.00692    0.00373   -0.02533
 71 O    -0.00000    0.00932   -0.05336
 72 N    -0.00000    0.19972    0.12860
 73 N     0.00000   -0.17406    0.07643

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    3.627704   24.136340    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.622026   24.602281    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:37:14  -2.83   +inf  -414.236632    3      1      
iter:   2  03:39:25  -3.23  -2.81  -415.305886    3      1      
iter:   3  03:41:32  -3.62  -2.09  -414.213727    3      1      
iter:   4  03:43:37  -4.26  -3.34  -414.206263    3      1      
iter:   5  03:45:45  -4.61  -3.68  -414.207610    3      1      
iter:   6  03:47:51  -4.82  -3.69  -414.205188    3      1      
iter:   7  03:49:58  -4.76  -3.71  -414.204027    3      1      
iter:   8  03:52:04  -5.15  -4.00  -414.204169    2      1      
iter:   9  03:54:11  -5.55  -4.16  -414.203750    2      1      
iter:  10  03:56:19  -6.19  -4.32  -414.204756    3      1      
iter:  11  03:58:25  -6.14  -4.10  -414.203665    2      1      
iter:  12  04:00:34  -6.33  -4.35  -414.203904    2      1      
iter:  13  04:02:42  -6.74  -4.36  -414.203951    2      1      
iter:  14  04:04:49  -6.81  -4.43  -414.204001    2      1      
iter:  15  04:06:57  -6.79  -4.56  -414.204037    2      1      
iter:  16  04:09:00  -6.87  -4.58  -414.203801    2      1      
iter:  17  04:10:57  -7.64  -4.95  -414.203935    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963177, -32.493202, 0.004083) |e|*Ang

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

Kinetic:        +18.204216
Potential:     -137.172380
External:        +0.000000
XC:            -304.953158
Entropy (-ST):   -1.565806
Local:          +10.500291
--------------------------
Free energy:   -414.986838
Extrapolated:  -414.203935

Fermi level: -6.53103

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59268    0.14432
  0   340     -6.58465    0.14021
  0   341     -6.58411    0.13993
  0   342     -6.55690    0.12540

  1   339     -6.50523    0.19371
  1   340     -6.45702    0.14354
  1   341     -6.42504    0.11437
  1   342     -6.41802    0.10851



Forces in eV/Ang:
  0 O     0.00000   -0.01756    1.17506
  1 Pt    0.00000   -0.00298   -0.37524
  2 Pt    0.00000   -0.01900   -0.43364
  3 O    -1.68301    0.00029   -0.71824
  4 O     1.68301    0.00029   -0.71824
  5 O     0.00000   -0.01181   -1.38680
  6 O     0.00000   -0.00284    1.76638
  7 Pt   -0.00000    0.01379    0.45151
  8 Pt    0.00000   -0.03958    0.75269
  9 O    -1.58061    0.00057    0.05172
 10 O     1.58061    0.00057    0.05172
 11 O     0.00000   -0.00884   -0.56677
 12 O    -0.00000    0.01424    0.13961
 13 Pt   -0.00000    0.31798   -0.03412
 14 Pt    0.00000   -0.01971    0.00962
 15 O    -0.00046    0.01080    0.00377
 16 O     0.00046    0.01080    0.00377
 17 O    -0.00000    0.01421   -1.19908
 18 O    -0.00000    0.00330    0.02839
 19 Pt    0.00000   -0.02476    0.13773
 20 Pt    0.00000   -0.05094    0.18466
 21 O    -0.21999    0.40852    0.24052
 22 O     0.21999    0.40852    0.24052
 23 O     0.00000   -0.01811   -0.08089
 24 O     0.00000   -0.00085    1.15090
 25 Pt   -0.00000    0.01772   -0.37820
 26 Pt    0.00000   -0.00012   -0.43486
 27 O    -1.69160    0.01332   -0.71754
 28 O     1.69160    0.01332   -0.71754
 29 O    -0.00000    0.04412   -1.39024
 30 O     0.00000   -0.00435    1.83289
 31 Pt   -0.00000    0.01962    0.51158
 32 Pt    0.00000   -0.13626    0.58493
 33 O    -1.61359   -0.01921    0.07072
 34 O     1.61359   -0.01921    0.07072
 35 O     0.00000   -0.03245   -0.52610
 36 O    -0.00000    0.23438   -0.12752
 37 Pt    0.00000   -0.37107   -0.04320
 38 Pt    0.00000   -0.00450   -0.01142
 39 O     0.01058    0.01153    0.01615
 40 O    -0.01058    0.01153    0.01615
 41 O    -0.00000    0.00815    0.07377
 42 O    -0.00000    0.03678   -0.01843
 43 Pt    0.00000   -0.00545    0.10029
 44 Pt    0.00000   -0.10540   -0.03765
 45 O    -0.20392   -0.43908    0.19897
 46 O     0.20392   -0.43908    0.19897
 47 O     0.00000   -0.02112   -0.06583
 48 O    -0.00000    0.02235    1.17292
 49 Pt    0.00000   -0.02285   -0.37752
 50 Pt   -0.00000    0.02104   -0.43624
 51 O    -1.69099   -0.01392   -0.71761
 52 O     1.69099   -0.01392   -0.71761
 53 O     0.00000   -0.00955   -1.40606
 54 O     0.00000   -0.00204    1.77548
 55 Pt    0.00000   -0.01242    0.51711
 56 Pt   -0.00000    0.11706    0.65685
 57 O    -1.61412    0.01389    0.09077
 58 O     1.61412    0.01389    0.09077
 59 O     0.00000   -0.02136   -0.51725
 60 O     0.00000   -0.23093   -0.12114
 61 Pt   -0.00000    0.03169   -0.10204
 62 Pt   -0.00000    0.01747   -0.00588
 63 O    -0.01498   -0.00796    0.00380
 64 O     0.01498   -0.00796    0.00380
 65 O    -0.00000    0.00227    0.00027
 66 O     0.00000   -0.01689   -0.00536
 67 Pt   -0.00000    0.00873    0.01585
 68 Pt   -0.00000    0.14570    0.01882
 69 O    -0.00807    0.00423   -0.02999
 70 O     0.00807    0.00423   -0.02999
 71 O    -0.00000    0.00925   -0.05587
 72 N     0.00000   -0.37634    0.45479
 73 N    -0.00000    0.40414   -0.16118

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    3.655884   24.153074    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.650185   24.630690    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:20:41  -2.37   +inf  -414.244705    3      1      
iter:   2  04:22:51  -3.01  -2.76  -415.464643    3      1      
iter:   3  04:25:00  -3.44  -2.06  -414.222809    2      1      
iter:   4  04:27:06  -4.02  -3.25  -414.210846    3      1      
iter:   5  04:29:14  -4.33  -3.45  -414.211038    3      1      
iter:   6  04:31:19  -4.35  -3.46  -414.207764    2      1      
iter:   7  04:33:26  -4.55  -3.70  -414.206788    2      1      
iter:   8  04:35:33  -4.92  -3.93  -414.206780    2      1      
iter:   9  04:37:39  -5.04  -4.24  -414.206109    2      1      
iter:  10  04:39:49  -5.55  -4.15  -414.207871    3      1      
iter:  11  04:41:57  -5.92  -3.96  -414.206441    3      1      
iter:  12  04:44:03  -6.30  -4.38  -414.206416    2      1      
iter:  13  04:46:13  -6.44  -3.93  -414.206673    2      1      
iter:  14  04:48:21  -6.54  -4.37  -414.206668    2      1      
iter:  15  04:50:27  -6.49  -4.52  -414.206731    2      1      
iter:  16  04:52:36  -6.76  -4.67  -414.206519    2      1      
iter:  17  04:54:40  -7.46  -4.69  -414.206669    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963131, -32.493387, 0.002698) |e|*Ang

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

Kinetic:        +17.382464
Potential:     -136.523115
External:        +0.000000
XC:            -304.779610
Entropy (-ST):   -1.565650
Local:          +10.496417
--------------------------
Free energy:   -414.989494
Extrapolated:  -414.206669

Fermi level: -6.53228

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59386    0.14428
  0   340     -6.58592    0.14021
  0   341     -6.58538    0.13994
  0   342     -6.55818    0.12542

  1   339     -6.50643    0.19366
  1   340     -6.45830    0.14358
  1   341     -6.42636    0.11442
  1   342     -6.41925    0.10849



Forces in eV/Ang:
  0 O     0.00000   -0.01756    1.17505
  1 Pt    0.00000   -0.00299   -0.37560
  2 Pt    0.00000   -0.01899   -0.43459
  3 O    -1.68282    0.00029   -0.71828
  4 O     1.68282    0.00029   -0.71828
  5 O     0.00000   -0.01182   -1.38681
  6 O     0.00000   -0.00290    1.76529
  7 Pt   -0.00000    0.01378    0.45137
  8 Pt    0.00000   -0.03966    0.75285
  9 O    -1.58054    0.00054    0.05164
 10 O     1.58054    0.00054    0.05164
 11 O     0.00000   -0.00887   -0.56656
 12 O    -0.00000    0.01437    0.13990
 13 Pt   -0.00000    0.31840   -0.03362
 14 Pt    0.00000   -0.01965    0.00996
 15 O    -0.00034    0.01087    0.00381
 16 O     0.00034    0.01087    0.00381
 17 O    -0.00000    0.01404   -1.20004
 18 O    -0.00000    0.00316    0.02858
 19 Pt    0.00000   -0.02444    0.13808
 20 Pt    0.00000   -0.05087    0.18267
 21 O    -0.22046    0.40905    0.24029
 22 O     0.22046    0.40905    0.24029
 23 O     0.00000   -0.01871   -0.08196
 24 O     0.00000   -0.00086    1.15089
 25 Pt   -0.00000    0.01772   -0.37861
 26 Pt    0.00000   -0.00013   -0.43581
 27 O    -1.69143    0.01332   -0.71759
 28 O     1.69143    0.01332   -0.71759
 29 O    -0.00000    0.04412   -1.39030
 30 O     0.00000   -0.00430    1.83180
 31 Pt   -0.00000    0.01963    0.51151
 32 Pt    0.00000   -0.13613    0.58516
 33 O    -1.61345   -0.01922    0.07066
 34 O     1.61345   -0.01922    0.07066
 35 O     0.00000   -0.03243   -0.52592
 36 O    -0.00000    0.23450   -0.12748
 37 Pt    0.00000   -0.37141   -0.04299
 38 Pt    0.00000   -0.00456   -0.01109
 39 O     0.01069    0.01154    0.01624
 40 O    -0.01069    0.01154    0.01624
 41 O    -0.00000    0.00793    0.07508
 42 O    -0.00000    0.03701   -0.01828
 43 Pt    0.00000   -0.00562    0.10004
 44 Pt    0.00000   -0.10272   -0.04095
 45 O    -0.20512   -0.43988    0.20120
 46 O     0.20512   -0.43988    0.20120
 47 O     0.00000   -0.02024   -0.06639
 48 O    -0.00000    0.02236    1.17291
 49 Pt    0.00000   -0.02285   -0.37788
 50 Pt   -0.00000    0.02103   -0.43715
 51 O    -1.69080   -0.01393   -0.71765
 52 O     1.69080   -0.01393   -0.71765
 53 O     0.00000   -0.00952   -1.40604
 54 O     0.00000   -0.00204    1.77454
 55 Pt    0.00000   -0.01242    0.51698
 56 Pt   -0.00000    0.11700    0.65696
 57 O    -1.61404    0.01393    0.09068
 58 O     1.61404    0.01393    0.09068
 59 O     0.00000   -0.02135   -0.51720
 60 O     0.00000   -0.23126   -0.12116
 61 Pt   -0.00000    0.03176   -0.10175
 62 Pt   -0.00000    0.01746   -0.00550
 63 O    -0.01489   -0.00804    0.00380
 64 O     0.01489   -0.00804    0.00380
 65 O    -0.00000    0.00241    0.00183
 66 O     0.00000   -0.01697   -0.00529
 67 Pt   -0.00000    0.00855    0.01693
 68 Pt   -0.00000    0.14528    0.01985
 69 O    -0.00840    0.00423   -0.03003
 70 O     0.00840    0.00423   -0.03003
 71 O    -0.00000    0.00891   -0.05573
 72 N     0.00000   -0.98248    0.77543
 73 N    -0.00000    1.02333   -0.39114

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.683203   24.170080    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.678618   24.658825    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:09:47  -2.39   +inf  -414.238927    3      1      
iter:   2  05:11:57  -3.04  -2.78  -415.356520    3      1      
iter:   3  05:14:08  -3.46  -2.08  -414.220776    2      1      
iter:   4  05:16:19  -4.04  -3.27  -414.209345    3      1      
iter:   5  05:18:25  -4.34  -3.46  -414.209301    3      1      
iter:   6  05:20:33  -4.38  -3.47  -414.206264    3      1      
iter:   7  05:22:43  -4.73  -3.85  -414.205867    2      1      
iter:   8  05:24:53  -4.99  -4.02  -414.205868    3      1      
iter:   9  05:26:59  -5.08  -4.28  -414.205545    2      1      
iter:  10  05:29:08  -5.48  -4.27  -414.206140    2      1      
iter:  11  05:31:15  -6.17  -4.22  -414.205496    2      1      
iter:  12  05:33:22  -6.56  -4.46  -414.206229    2      1      
iter:  13  05:35:29  -6.73  -4.03  -414.205752    2      1      
iter:  14  05:37:35  -6.91  -4.59  -414.205840    2      1      
iter:  15  05:39:45  -6.67  -4.58  -414.205794    2      1      
iter:  16  05:41:51  -7.03  -4.94  -414.205744    2      1      
iter:  17  05:43:57  -7.44  -5.01  -414.205895    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963185, -32.492908, 0.001172) |e|*Ang

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

Kinetic:        +16.678640
Potential:     -135.960509
External:        +0.000000
XC:            -304.640853
Entropy (-ST):   -1.565546
Local:          +10.499599
--------------------------
Free energy:   -414.988668
Extrapolated:  -414.205895

Fermi level: -6.53392

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59556    0.14431
  0   340     -6.58746    0.14016
  0   341     -6.58695    0.13990
  0   342     -6.55992    0.12547

  1   339     -6.50787    0.19344
  1   340     -6.45989    0.14352
  1   341     -6.42804    0.11446
  1   342     -6.42091    0.10850



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17493
  1 Pt    0.00000   -0.00301   -0.37642
  2 Pt    0.00000   -0.01909   -0.43481
  3 O    -1.68394    0.00024   -0.71837
  4 O     1.68394    0.00024   -0.71837
  5 O     0.00000   -0.01171   -1.38643
  6 O     0.00000   -0.00262    1.76258
  7 Pt   -0.00000    0.01375    0.45020
  8 Pt    0.00000   -0.03944    0.75186
  9 O    -1.58044    0.00062    0.05137
 10 O     1.58044    0.00062    0.05137
 11 O     0.00000   -0.00879   -0.56688
 12 O    -0.00000    0.01405    0.13960
 13 Pt   -0.00000    0.31902   -0.03395
 14 Pt    0.00000   -0.02018    0.00990
 15 O     0.00005    0.01077    0.00363
 16 O    -0.00005    0.01077    0.00363
 17 O    -0.00000    0.01352   -1.20183
 18 O    -0.00000    0.00299    0.02904
 19 Pt    0.00000   -0.02362    0.14059
 20 Pt    0.00000   -0.04875    0.19403
 21 O    -0.21998    0.40970    0.24250
 22 O     0.21998    0.40970    0.24250
 23 O     0.00000   -0.01806   -0.08077
 24 O     0.00000   -0.00079    1.15077
 25 Pt   -0.00000    0.01773   -0.37918
 26 Pt    0.00000   -0.00002   -0.43603
 27 O    -1.69246    0.01331   -0.71766
 28 O     1.69246    0.01331   -0.71766
 29 O    -0.00000    0.04400   -1.38990
 30 O     0.00000   -0.00456    1.82912
 31 Pt   -0.00000    0.01964    0.51012
 32 Pt    0.00000   -0.13631    0.58417
 33 O    -1.61350   -0.01920    0.07030
 34 O     1.61350   -0.01920    0.07030
 35 O     0.00000   -0.03250   -0.52632
 36 O    -0.00000    0.23481   -0.12773
 37 Pt    0.00000   -0.37164   -0.04337
 38 Pt    0.00000   -0.00401   -0.01107
 39 O     0.01144    0.01155    0.01596
 40 O    -0.01144    0.01155    0.01596
 41 O    -0.00000    0.00816    0.07392
 42 O    -0.00000    0.03749   -0.01792
 43 Pt    0.00000   -0.00611    0.10494
 44 Pt    0.00000   -0.10238   -0.03681
 45 O    -0.20650   -0.44032    0.20903
 46 O     0.20650   -0.44032    0.20903
 47 O     0.00000   -0.02113   -0.06565
 48 O    -0.00000    0.02236    1.17277
 49 Pt    0.00000   -0.02284   -0.37870
 50 Pt   -0.00000    0.02103   -0.43759
 51 O    -1.69192   -0.01387   -0.71773
 52 O     1.69192   -0.01387   -0.71773
 53 O     0.00000   -0.00951   -1.40589
 54 O     0.00000   -0.00205    1.77137
 55 Pt    0.00000   -0.01239    0.51577
 56 Pt   -0.00000    0.11694    0.65627
 57 O    -1.61396    0.01383    0.09040
 58 O     1.61396    0.01383    0.09040
 59 O     0.00000   -0.02136   -0.51707
 60 O     0.00000   -0.23127   -0.12160
 61 Pt   -0.00000    0.03155   -0.10204
 62 Pt   -0.00000    0.01743   -0.00571
 63 O    -0.01448   -0.00791    0.00366
 64 O     0.01448   -0.00791    0.00366
 65 O    -0.00000    0.00240   -0.00043
 66 O     0.00000   -0.01726   -0.00508
 67 Pt   -0.00000    0.00817    0.01836
 68 Pt   -0.00000    0.14507    0.02255
 69 O    -0.00776    0.00392   -0.02883
 70 O     0.00776    0.00392   -0.02883
 71 O    -0.00000    0.00912   -0.05464
 72 N     0.00000   -1.36426    0.93830
 73 N    -0.00000    1.46759   -0.64676

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    3.699388   24.181812    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.698941   24.676291    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:59:35  -2.75   +inf  -414.225039    3      1      
iter:   2  06:01:46  -3.45  -3.03  -414.590384    3      1      
iter:   3  06:03:55  -3.85  -2.31  -414.218473    2      1      
iter:   4  06:06:01  -4.46  -3.58  -414.213202    3      1      
iter:   5  06:08:08  -4.78  -3.74  -414.213299    3      1      
iter:   6  06:10:14  -4.76  -4.04  -414.212596    3      1      
iter:   7  06:12:22  -5.19  -3.79  -414.212680    3      1      
