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

User:   hao@node032.cluster
Date:   Mon Dec 13 22:37:31 2021
Arch:   x86_64
Pid:    23873
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: 134.01 MiB
  Calculator: 871.48 MiB
    Density: 59.13 MiB
      Arrays: 12.18 MiB
      Localized functions: 42.34 MiB
      Mixer: 4.61 MiB
    Hamiltonian: 10.65 MiB
      Arrays: 7.97 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 2.68 MiB
    Wavefunctions: 801.70 MiB
      Arrays psit_nG: 382.06 MiB
      Eigensolver: 412.84 MiB
      Projections: 1.14 MiB
      Projectors: 5.66 MiB

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

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

... initialized

Initializing position-dependent things.

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

                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.827296   24.281518    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.102816   23.445481    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:40:32  +0.88   +inf  -535.903465    3      1      
iter:   2  22:42:45  -0.13  -1.04  -493.797249    34     1      
iter:   3  22:44:58  +0.15  -1.11  -507.817141    38     1      
iter:   4  22:47:10  -0.46  -1.13  -419.582375    36     1      
iter:   5  22:49:21  -1.16  -1.43  -418.736827    4      1      
iter:   6  22:51:31  -1.49  -1.47  -420.483559    4      1      
iter:   7  22:53:39  -1.62  -1.47  -416.923070    34     1      
iter:   8  22:55:46  -1.92  -1.53  -419.674471    3      1      
iter:   9  22:57:51  -1.61  -1.55  -423.459139    4      1      
iter:  10  22:59:56  -1.99  -1.57  -415.930550    4      1      
iter:  11  23:02:02  -2.03  -1.69  -416.661088    3      1      
iter:  12  23:04:11  -2.06  -1.84  -415.289031    35     1      
iter:  13  23:06:18  -2.26  -1.98  -415.077546    4      1      
iter:  14  23:08:25  -2.06  -2.06  -415.397063    3      1      
iter:  15  23:10:32  -2.35  -2.08  -414.998932    3      1      
iter:  16  23:12:37  -3.21  -2.11  -414.351313    2      1      
iter:  17  23:14:43  -3.29  -2.33  -414.413174    3      1      
iter:  18  23:16:50  -3.19  -2.31  -414.239979    3      1      
iter:  19  23:18:58  -3.62  -2.52  -414.280171    3      1      
iter:  20  23:21:04  -3.35  -2.45  -414.243609    3      1      
iter:  21  23:23:12  -3.52  -2.61  -414.189882    3      1      
iter:  22  23:25:18  -3.79  -2.80  -414.184101    2      1      
iter:  23  23:27:25  -3.95  -2.88  -414.172663    3      1      
iter:  24  23:29:32  -4.26  -2.97  -414.180323    3      1      
iter:  25  23:31:40  -4.22  -2.94  -414.192412    2      1      
iter:  26  23:33:47  -4.35  -2.86  -414.171408    3      1      
iter:  27  23:35:54  -4.36  -3.32  -414.172036    3      1      
iter:  28  23:38:00  -4.91  -3.64  -414.171754    2      1      
iter:  29  23:40:08  -5.14  -3.68  -414.172593    2      1      
iter:  30  23:42:13  -5.65  -3.73  -414.172308    2      1      
iter:  31  23:44:20  -5.69  -3.77  -414.172456    2      1      
iter:  32  23:46:26  -5.98  -3.69  -414.172812    2      1      
iter:  33  23:48:34  -5.94  -3.81  -414.172421    2      1      
iter:  34  23:50:40  -6.00  -3.92  -414.172510    2      1      
iter:  35  23:52:48  -6.00  -4.04  -414.172351    2      1      
iter:  36  23:54:56  -6.36  -4.25  -414.172503    2      1      
iter:  37  23:57:04  -6.73  -4.41  -414.172443    2      1      
iter:  38  23:59:10  -6.75  -4.40  -414.172334    2      1      
iter:  39  00:01:16  -7.23  -4.40  -414.172490    2      1      
iter:  40  00:03:22  -7.50  -4.56  -414.172482    2      1      

Converged after 40 iterations.

Dipole moment: (-55.961999, -32.785845, 0.209222) |e|*Ang

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

Kinetic:        +20.374817
Potential:     -138.394800
External:        +0.000000
XC:            -305.900282
Entropy (-ST):   -1.553845
Local:          +10.524704
--------------------------
Free energy:   -414.949404
Extrapolated:  -414.172482

Fermi level: -6.35918

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.43943    0.15345
  0   340     -6.41485    0.14126
  0   341     -6.41312    0.14037
  0   342     -6.38153    0.12347

  1   339     -6.33630    0.19691
  1   340     -6.28623    0.14457
  1   341     -6.24800    0.11001
  1   342     -6.24285    0.10580



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17227
  1 Pt   -0.00000    0.00380   -0.37751
  2 Pt    0.00000   -0.01909   -0.43526
  3 O    -1.68284   -0.00001   -0.71899
  4 O     1.68284   -0.00001   -0.71899
  5 O     0.00000   -0.01077   -1.39712
  6 O     0.00000   -0.00269    1.77210
  7 Pt   -0.00000    0.01390    0.45168
  8 Pt    0.00000   -0.04281    0.78026
  9 O    -1.58043    0.00077    0.05039
 10 O     1.58043    0.00077    0.05039
 11 O     0.00000   -0.00889   -0.56256
 12 O    -0.00000    0.00348    0.08093
 13 Pt   -0.00000    0.12156   -0.02249
 14 Pt    0.00000   -0.01998    0.00150
 15 O    -0.00165    0.00986    0.00316
 16 O     0.00165    0.00986    0.00316
 17 O     0.00000   -0.08797   -0.41965
 18 O    -0.00000    0.00185    0.02077
 19 Pt    0.00000   -0.03682    0.03540
 20 Pt   -0.00000    0.15347    0.04758
 21 O    -0.14523    0.23775    0.16528
 22 O     0.14523    0.23775    0.16528
 23 O     0.00000   -0.01535   -0.03494
 24 O     0.00000   -0.00013    1.14938
 25 Pt   -0.00000    0.01055   -0.38053
 26 Pt    0.00000   -0.00018   -0.43384
 27 O    -1.69130    0.01362   -0.71832
 28 O     1.69130    0.01362   -0.71832
 29 O    -0.00000    0.05404   -1.38418
 30 O     0.00000   -0.00485    1.83472
 31 Pt   -0.00000    0.01894    0.51126
 32 Pt    0.00000   -0.16866    0.55823
 33 O    -1.61343   -0.01898    0.06989
 34 O     1.61343   -0.01898    0.06989
 35 O     0.00000   -0.03258   -0.52251
 36 O    -0.00000    0.11731   -0.07797
 37 Pt    0.00000   -0.12475   -0.02370
 38 Pt    0.00000   -0.00461   -0.01025
 39 O     0.00881    0.01241    0.01504
 40 O    -0.00881    0.01241    0.01504
 41 O     0.00000    0.00214   -0.02632
 42 O    -0.00000    0.02226   -0.01090
 43 Pt   -0.00000    0.00188   -0.01307
 44 Pt    0.00000   -0.00702   -0.00962
 45 O    -0.07270   -0.16613    0.02145
 46 O     0.07270   -0.16613    0.02145
 47 O     0.00000   -0.02481   -0.02091
 48 O    -0.00000    0.02174    1.17129
 49 Pt    0.00000   -0.02285   -0.38102
 50 Pt   -0.00000    0.02120   -0.43560
 51 O    -1.69007   -0.01390   -0.71905
 52 O     1.69007   -0.01390   -0.71905
 53 O     0.00000   -0.01907   -1.39980
 54 O     0.00000   -0.00170    1.77757
 55 Pt    0.00000   -0.01204    0.51565
 56 Pt   -0.00000    0.14950    0.63453
 57 O    -1.61211    0.01392    0.09592
 58 O     1.61211    0.01392    0.09592
 59 O     0.00000   -0.02107   -0.51415
 60 O     0.00000   -0.10962   -0.07848
 61 Pt   -0.00000    0.00755   -0.03911
 62 Pt   -0.00000    0.01735   -0.00620
 63 O    -0.00860   -0.00765    0.00207
 64 O     0.00860   -0.00765    0.00207
 65 O     0.00000   -0.00492   -0.00047
 66 O     0.00000   -0.00031    0.00261
 67 Pt   -0.00000    0.01007    0.01359
 68 Pt   -0.00000    0.11984   -0.02000
 69 O    -0.00996   -0.00389   -0.00974
 70 O     0.00996   -0.00389   -0.00974
 71 O    -0.00000    0.00646   -0.02557
 72 N     0.00000   -0.12825    0.01489
 73 N     0.00000   -0.19370    0.11520

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.827716   24.281083    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.101433   23.447660    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:31:00  -4.73   +inf  -414.172284    3      1      
iter:   2  00:33:07  -5.05  -3.79  -414.184994    3      1      
iter:   3  00:35:13  -5.19  -3.09  -414.173496    2      1      
iter:   4  00:37:18  -5.79  -4.23  -414.172632    3      1      
iter:   5  00:39:25  -6.13  -4.44  -414.172774    2      1      
iter:   6  00:41:34  -6.30  -4.44  -414.172809    2      1      
iter:   7  00:43:42  -6.41  -4.62  -414.172808    2      1      
iter:   8  00:45:50  -6.75  -4.69  -414.172865    2      1      
iter:   9  00:47:57  -7.60  -5.06  -414.172807    2      1      

Converged after 9 iterations.

Dipole moment: (-55.961538, -32.784534, 0.208065) |e|*Ang

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

Kinetic:        +19.476043
Potential:     -137.495421
External:        +0.000000
XC:            -305.904822
Entropy (-ST):   -1.554023
Local:          +10.528406
--------------------------
Free energy:   -414.949818
Extrapolated:  -414.172807

Fermi level: -6.36036

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.44065    0.15347
  0   340     -6.41590    0.14120
  0   341     -6.41417    0.14030
  0   342     -6.38276    0.12350

  1   339     -6.33753    0.19697
  1   340     -6.28732    0.14449
  1   341     -6.24918    0.11001
  1   342     -6.24408    0.10585



Forces in eV/Ang:
  0 O     0.00000   -0.01773    1.17407
  1 Pt   -0.00000    0.00375   -0.37752
  2 Pt    0.00000   -0.01907   -0.43485
  3 O    -1.68297   -0.00001   -0.71873
  4 O     1.68297   -0.00001   -0.71873
  5 O     0.00000   -0.01076   -1.39966
  6 O     0.00000   -0.00264    1.77098
  7 Pt   -0.00000    0.01383    0.45123
  8 Pt    0.00000   -0.04277    0.78021
  9 O    -1.58141    0.00078    0.04977
 10 O     1.58141    0.00078    0.04977
 11 O     0.00000   -0.00885   -0.56227
 12 O    -0.00000    0.00368    0.08140
 13 Pt   -0.00000    0.12201   -0.02284
 14 Pt    0.00000   -0.01997    0.00133
 15 O    -0.00032    0.00973    0.00344
 16 O     0.00032    0.00973    0.00344
 17 O     0.00000   -0.08600   -0.42257
 18 O    -0.00000    0.00184    0.01964
 19 Pt    0.00000   -0.03679    0.03190
 20 Pt   -0.00000    0.14820    0.04353
 21 O    -0.14278    0.23796    0.16428
 22 O     0.14278    0.23796    0.16428
 23 O     0.00000   -0.01535   -0.03609
 24 O     0.00000   -0.00013    1.15122
 25 Pt   -0.00000    0.01058   -0.38054
 26 Pt    0.00000   -0.00017   -0.43341
 27 O    -1.69144    0.01363   -0.71807
 28 O     1.69144    0.01363   -0.71807
 29 O    -0.00000    0.05400   -1.38699
 30 O     0.00000   -0.00491    1.83369
 31 Pt   -0.00000    0.01900    0.51080
 32 Pt    0.00000   -0.16853    0.55831
 33 O    -1.61441   -0.01901    0.06927
 34 O     1.61441   -0.01901    0.06927
 35 O     0.00000   -0.03256   -0.52217
 36 O    -0.00000    0.11861   -0.07873
 37 Pt    0.00000   -0.12546   -0.02421
 38 Pt    0.00000   -0.00468   -0.01067
 39 O     0.01018    0.01251    0.01532
 40 O    -0.01018    0.01251    0.01532
 41 O     0.00000    0.00190   -0.02311
 42 O    -0.00000    0.02139   -0.01165
 43 Pt   -0.00000    0.00191   -0.01664
 44 Pt    0.00000   -0.00802   -0.01222
 45 O    -0.07159   -0.16758    0.02290
 46 O     0.07159   -0.16758    0.02290
 47 O     0.00000   -0.02516   -0.02133
 48 O    -0.00000    0.02177    1.17312
 49 Pt    0.00000   -0.02283   -0.38099
 50 Pt   -0.00000    0.02118   -0.43517
 51 O    -1.69023   -0.01392   -0.71879
 52 O     1.69023   -0.01392   -0.71879
 53 O     0.00000   -0.01905   -1.40266
 54 O     0.00000   -0.00169    1.77654
 55 Pt    0.00000   -0.01203    0.51530
 56 Pt   -0.00000    0.14940    0.63458
 57 O    -1.61307    0.01393    0.09524
 58 O     1.61307    0.01393    0.09524
 59 O     0.00000   -0.02113   -0.51378
 60 O     0.00000   -0.11089   -0.07928
 61 Pt   -0.00000    0.00754   -0.03937
 62 Pt   -0.00000    0.01742   -0.00666
 63 O    -0.00753   -0.00762    0.00205
 64 O     0.00753   -0.00762    0.00205
 65 O     0.00000   -0.00482    0.00264
 66 O     0.00000    0.00050    0.00192
 67 Pt   -0.00000    0.01004    0.01050
 68 Pt   -0.00000    0.12033   -0.02233
 69 O    -0.00775   -0.00398   -0.01162
 70 O     0.00775   -0.00398   -0.01162
 71 O    -0.00000    0.00685   -0.02584
 72 N     0.00000   -0.06544    0.08821
 73 N     0.00000   -0.27359    0.05660

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.829660   24.280538    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.096809   23.453296    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:20:04  -3.87   +inf  -414.175985    3      1      
iter:   2  01:22:14  -4.47  -3.71  -414.184140    3      1      
iter:   3  01:24:25  -4.78  -3.05  -414.173672    3      1      
iter:   4  01:26:36  -5.24  -3.75  -414.174542    3      1      
iter:   5  01:28:48  -5.56  -4.26  -414.174241    2      1      
iter:   6  01:31:00  -5.64  -4.52  -414.174328    2      1      
iter:   7  01:33:11  -5.93  -4.36  -414.174337    2      1      
iter:   8  01:35:23  -6.23  -4.70  -414.174297    2      1      
iter:   9  01:37:34  -6.61  -4.91  -414.174271    2      1      
iter:  10  01:39:45  -7.00  -5.05  -414.174255    2      1      
iter:  11  01:41:54  -7.41  -4.95  -414.174332    2      1      

Converged after 11 iterations.

Dipole moment: (-55.961599, -32.782846, 0.206806) |e|*Ang

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

Kinetic:        +19.464423
Potential:     -137.484913
External:        +0.000000
XC:            -305.901268
Entropy (-ST):   -1.554134
Local:          +10.524494
--------------------------
Free energy:   -414.951399
Extrapolated:  -414.174332

Fermi level: -6.36182

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.44202    0.15342
  0   340     -6.41727    0.14115
  0   341     -6.41553    0.14026
  0   342     -6.38426    0.12353

  1   339     -6.33882    0.19678
  1   340     -6.28874    0.14445
  1   341     -6.25065    0.11003
  1   342     -6.24541    0.10574



Forces in eV/Ang:
  0 O     0.00000   -0.01773    1.17390
  1 Pt   -0.00000    0.00358   -0.37841
  2 Pt    0.00000   -0.01908   -0.43587
  3 O    -1.68355   -0.00004   -0.71907
  4 O     1.68355   -0.00004   -0.71907
  5 O     0.00000   -0.01080   -1.39930
  6 O     0.00000   -0.00263    1.76859
  7 Pt   -0.00000    0.01384    0.45020
  8 Pt    0.00000   -0.04261    0.77886
  9 O    -1.58122    0.00075    0.04980
 10 O     1.58122    0.00075    0.04980
 11 O     0.00000   -0.00886   -0.56191
 12 O    -0.00000    0.00378    0.08260
 13 Pt   -0.00000    0.12477   -0.02224
 14 Pt    0.00000   -0.02004    0.00183
 15 O    -0.00000    0.00964    0.00389
 16 O     0.00000    0.00964    0.00389
 17 O     0.00000   -0.08110   -0.42930
 18 O    -0.00000    0.00186    0.02026
 19 Pt    0.00000   -0.03745    0.03455
 20 Pt   -0.00000    0.14039    0.05759
 21 O    -0.14390    0.23984    0.16511
 22 O     0.14390    0.23984    0.16511
 23 O     0.00000   -0.01488   -0.03486
 24 O     0.00000   -0.00013    1.15096
 25 Pt   -0.00000    0.01075   -0.38142
 26 Pt    0.00000   -0.00016   -0.43452
 27 O    -1.69201    0.01366   -0.71840
 28 O     1.69201    0.01366   -0.71840
 29 O    -0.00000    0.05382   -1.38674
 30 O     0.00000   -0.00502    1.83123
 31 Pt   -0.00000    0.01901    0.50979
 32 Pt    0.00000   -0.16809    0.55800
 33 O    -1.61424   -0.01899    0.06927
 34 O     1.61424   -0.01899    0.06927
 35 O     0.00000   -0.03259   -0.52176
 36 O    -0.00000    0.11979   -0.07893
 37 Pt    0.00000   -0.12988   -0.02347
 38 Pt    0.00000   -0.00445   -0.01011
 39 O     0.01048    0.01258    0.01576
 40 O    -0.01048    0.01258    0.01576
 41 O     0.00000    0.00201   -0.02351
 42 O    -0.00000    0.02124   -0.01089
 43 Pt   -0.00000    0.00243   -0.01199
 44 Pt    0.00000   -0.01177   -0.00600
 45 O    -0.07522   -0.17192    0.02878
 46 O     0.07522   -0.17192    0.02878
 47 O     0.00000   -0.02560   -0.02077
 48 O    -0.00000    0.02177    1.17286
 49 Pt    0.00000   -0.02280   -0.38191
 50 Pt   -0.00000    0.02118   -0.43628
 51 O    -1.69082   -0.01392   -0.71911
 52 O     1.69082   -0.01392   -0.71911
 53 O     0.00000   -0.01891   -1.40251
 54 O     0.00000   -0.00159    1.77402
 55 Pt    0.00000   -0.01204    0.51441
 56 Pt   -0.00000    0.14896    0.63441
 57 O    -1.61290    0.01389    0.09523
 58 O     1.61290    0.01389    0.09523
 59 O     0.00000   -0.02110   -0.51332
 60 O     0.00000   -0.11210   -0.07944
 61 Pt   -0.00000    0.00763   -0.04028
 62 Pt   -0.00000    0.01727   -0.00607
 63 O    -0.00762   -0.00759    0.00261
 64 O     0.00762   -0.00759    0.00261
 65 O     0.00000   -0.00477    0.00164
 66 O     0.00000    0.00052    0.00264
 67 Pt   -0.00000    0.01005    0.01234
 68 Pt   -0.00000    0.12173   -0.01925
 69 O    -0.00712   -0.00401   -0.01045
 70 O     0.00712   -0.00401   -0.01045
 71 O    -0.00000    0.00699   -0.02547
 72 N     0.00000   -0.01885    0.14803
 73 N     0.00000   -0.35148    0.03598

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.832476   24.280714    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.091094   23.458989    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:04:37  -3.71   +inf  -414.174901    3      1      
iter:   2  02:06:42  -4.20  -3.30  -414.216244    3      1      
iter:   3  02:08:47  -4.44  -2.87  -414.189853    3      1      
iter:   4  02:10:53  -4.89  -3.14  -414.177247    3      1      
iter:   5  02:13:01  -5.32  -4.01  -414.177209    3      1      
iter:   6  02:15:08  -5.23  -3.90  -414.176842    3      1      
iter:   7  02:17:14  -5.38  -4.35  -414.176659    3      1      
iter:   8  02:19:20  -5.79  -4.38  -414.176590    2      1      
iter:   9  02:21:27  -6.30  -4.64  -414.176411    2      1      
iter:  10  02:23:33  -6.90  -4.66  -414.176753    2      1      
iter:  11  02:25:40  -6.89  -4.59  -414.176499    2      1      
iter:  12  02:27:47  -7.16  -4.56  -414.176499    2      1      
iter:  13  02:29:55  -7.30  -4.58  -414.176577    2      1      
iter:  14  02:32:03  -7.40  -5.01  -414.176594    2      1      
iter:  15  02:34:11  -7.54  -4.89  -414.176571    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961593, -32.779724, 0.204055) |e|*Ang

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

Kinetic:        +19.204908
Potential:     -137.288960
External:        +0.000000
XC:            -305.837818
Entropy (-ST):   -1.554422
Local:          +10.522509
--------------------------
Free energy:   -414.953782
Extrapolated:  -414.176571

Fermi level: -6.36374

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.44351    0.15322
  0   340     -6.41936    0.14124
  0   341     -6.41765    0.14036
  0   342     -6.38610    0.12348

  1   339     -6.34081    0.19685
  1   340     -6.29077    0.14456
  1   341     -6.25263    0.11007
  1   342     -6.24719    0.10563



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17388
  1 Pt   -0.00000    0.00347   -0.37763
  2 Pt    0.00000   -0.01907   -0.43532
  3 O    -1.68273   -0.00001   -0.71894
  4 O     1.68273   -0.00001   -0.71894
  5 O     0.00000   -0.01088   -1.39920
  6 O     0.00000   -0.00271    1.77188
  7 Pt   -0.00000    0.01394    0.45162
  8 Pt    0.00000   -0.04254    0.77925
  9 O    -1.58128    0.00076    0.05019
 10 O     1.58128    0.00076    0.05019
 11 O     0.00000   -0.00887   -0.56162
 12 O    -0.00000    0.00421    0.08349
 13 Pt   -0.00000    0.12703   -0.02202
 14 Pt    0.00000   -0.01991    0.00244
 15 O    -0.00045    0.00993    0.00405
 16 O     0.00045    0.00993    0.00405
 17 O     0.00000   -0.07533   -0.43968
 18 O    -0.00000    0.00192    0.01966
 19 Pt    0.00000   -0.03703    0.03422
 20 Pt   -0.00000    0.12806    0.05856
 21 O    -0.14594    0.24255    0.16365
 22 O     0.14594    0.24255    0.16365
 23 O     0.00000   -0.01558   -0.03691
 24 O     0.00000   -0.00018    1.15095
 25 Pt   -0.00000    0.01086   -0.38070
 26 Pt    0.00000   -0.00017   -0.43395
 27 O    -1.69121    0.01364   -0.71828
 28 O     1.69121    0.01364   -0.71828
 29 O    -0.00000    0.05374   -1.38692
 30 O     0.00000   -0.00476    1.83453
 31 Pt   -0.00000    0.01893    0.51131
 32 Pt    0.00000   -0.16745    0.55918
 33 O    -1.61425   -0.01904    0.06966
 34 O     1.61425   -0.01904    0.06966
 35 O     0.00000   -0.03256   -0.52157
 36 O    -0.00000    0.12163   -0.07972
 37 Pt    0.00000   -0.13352   -0.02343
 38 Pt    0.00000   -0.00490   -0.00973
 39 O     0.00984    0.01238    0.01601
 40 O    -0.00984    0.01238    0.01601
 41 O     0.00000    0.00189   -0.01971
 42 O    -0.00000    0.02145   -0.01186
 43 Pt   -0.00000    0.00192   -0.01283
 44 Pt    0.00000   -0.01323   -0.00900
 45 O    -0.07818   -0.17642    0.02981
 46 O     0.07818   -0.17642    0.02981
 47 O     0.00000   -0.02481   -0.02247
 48 O    -0.00000    0.02179    1.17286
 49 Pt    0.00000   -0.02278   -0.38100
 50 Pt   -0.00000    0.02117   -0.43563
 51 O    -1.69002   -0.01394   -0.71897
 52 O     1.69002   -0.01394   -0.71897
 53 O     0.00000   -0.01883   -1.40273
 54 O     0.00000   -0.00176    1.77738
 55 Pt    0.00000   -0.01205    0.51565
 56 Pt   -0.00000    0.14841    0.63560
 57 O    -1.61297    0.01392    0.09538
 58 O     1.61297    0.01392    0.09538
 59 O     0.00000   -0.02111   -0.51331
 60 O     0.00000   -0.11425   -0.08050
 61 Pt   -0.00000    0.00773   -0.04042
 62 Pt   -0.00000    0.01757   -0.00560
 63 O    -0.00796   -0.00768    0.00267
 64 O     0.00796   -0.00768    0.00267
 65 O     0.00000   -0.00481    0.00506
 66 O     0.00000    0.00016    0.00174
 67 Pt   -0.00000    0.01010    0.01147
 68 Pt   -0.00000    0.12228   -0.02073
 69 O    -0.00853   -0.00376   -0.01269
 70 O     0.00853   -0.00376   -0.01269
 71 O    -0.00000    0.00689   -0.02655
 72 N     0.00000   -0.17862    0.00460
 73 N     0.00000   -0.19084    0.26469

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.833350   24.279487    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.086715   23.467309    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:46:47  -3.64   +inf  -414.187381    3      1      
iter:   2  02:48:58  -4.09  -3.31  -414.241349    3      1      
iter:   3  02:51:10  -4.36  -2.68  -414.180220    3      1      
iter:   4  02:53:23  -4.84  -3.28  -414.179021    3      1      
iter:   5  02:55:36  -5.32  -4.12  -414.178188    3      1      
iter:   6  02:57:49  -5.13  -3.91  -414.177749    3      1      
iter:   7  03:00:01  -5.23  -4.10  -414.178155    3      1      
iter:   8  03:02:14  -5.67  -4.38  -414.178067    2      1      
iter:   9  03:04:27  -6.25  -4.45  -414.178242    2      1      
iter:  10  03:06:41  -6.54  -4.56  -414.178037    2      1      
iter:  11  03:08:54  -6.95  -4.26  -414.178128    2      1      
iter:  12  03:11:06  -6.95  -4.64  -414.178147    2      1      
iter:  13  03:13:19  -6.92  -4.75  -414.177978    2      1      
iter:  14  03:15:32  -7.29  -4.73  -414.178030    2      1      
iter:  15  03:17:37  -7.30  -4.82  -414.178015    2      1      
iter:  16  03:19:44  -7.42  -5.00  -414.178080    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961655, -32.777076, 0.201799) |e|*Ang

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

Kinetic:        +19.682294
Potential:     -137.672305
External:        +0.000000
XC:            -305.933739
Entropy (-ST):   -1.554736
Local:          +10.523038
--------------------------
Free energy:   -414.955448
Extrapolated:  -414.178080

Fermi level: -6.36598

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.44576    0.15322
  0   340     -6.42140    0.14114
  0   341     -6.41969    0.14025
  0   342     -6.38847    0.12355

  1   339     -6.34292    0.19672
  1   340     -6.29287    0.14442
  1   341     -6.25490    0.11010
  1   342     -6.24937    0.10559



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17362
  1 Pt   -0.00000    0.00328   -0.37831
  2 Pt    0.00000   -0.01907   -0.43613
  3 O    -1.68340    0.00000   -0.71907
  4 O     1.68340    0.00000   -0.71907
  5 O     0.00000   -0.01088   -1.39848
  6 O     0.00000   -0.00265    1.76900
  7 Pt   -0.00000    0.01391    0.45052
  8 Pt    0.00000   -0.04238    0.77795
  9 O    -1.58128    0.00072    0.05016
 10 O     1.58128    0.00072    0.05016
 11 O     0.00000   -0.00886   -0.56225
 12 O    -0.00000    0.00442    0.08511
 13 Pt   -0.00000    0.12957   -0.02339
 14 Pt    0.00000   -0.02015    0.00201
 15 O     0.00004    0.00977    0.00371
 16 O    -0.00004    0.00977    0.00371
 17 O     0.00000   -0.06959   -0.45342
 18 O    -0.00000    0.00157    0.02056
 19 Pt    0.00000   -0.03672    0.03812
 20 Pt   -0.00000    0.11319    0.05933
 21 O    -0.14650    0.24556    0.16771
 22 O     0.14650    0.24556    0.16771
 23 O     0.00000   -0.01498   -0.03638
 24 O     0.00000   -0.00020    1.15064
 25 Pt   -0.00000    0.01105   -0.38132
 26 Pt    0.00000   -0.00019   -0.43478
 27 O    -1.69188    0.01363   -0.71840
 28 O     1.69188    0.01363   -0.71840
 29 O    -0.00000    0.05349   -1.38653
 30 O     0.00000   -0.00488    1.83183
 31 Pt   -0.00000    0.01897    0.51013
 32 Pt    0.00000   -0.16683    0.55899
 33 O    -1.61426   -0.01901    0.06957
 34 O     1.61426   -0.01901    0.06957
 35 O     0.00000   -0.03256   -0.52207
 36 O    -0.00000    0.12383   -0.08058
 37 Pt    0.00000   -0.13760   -0.02498
 38 Pt    0.00000   -0.00455   -0.01031
 39 O     0.01047    0.01247    0.01549
 40 O    -0.01047    0.01247    0.01549
 41 O     0.00000    0.00197   -0.02244
 42 O    -0.00000    0.02185   -0.01127
 43 Pt   -0.00000    0.00217   -0.00770
 44 Pt    0.00000   -0.01498   -0.00329
 45 O    -0.08166   -0.18186    0.03931
 46 O     0.08166   -0.18186    0.03931
 47 O     0.00000   -0.02579   -0.02110
 48 O    -0.00000    0.02179    1.17255
 49 Pt    0.00000   -0.02276   -0.38163
 50 Pt   -0.00000    0.02119   -0.43650
 51 O    -1.69070   -0.01393   -0.71908
 52 O     1.69070   -0.01393   -0.71908
 53 O     0.00000   -0.01866   -1.40248
 54 O     0.00000   -0.00171    1.77464
 55 Pt    0.00000   -0.01204    0.51469
 56 Pt   -0.00000    0.14782    0.63549
 57 O    -1.61301    0.01389    0.09525
 58 O     1.61301    0.01389    0.09525
 59 O     0.00000   -0.02112   -0.51365
 60 O     0.00000   -0.11628   -0.08128
 61 Pt   -0.00000    0.00771   -0.04245
 62 Pt   -0.00000    0.01751   -0.00613
 63 O    -0.00779   -0.00762    0.00243
 64 O     0.00779   -0.00762    0.00243
 65 O     0.00000   -0.00479    0.00190
 66 O     0.00000    0.00006    0.00217
 67 Pt   -0.00000    0.00970    0.01440
 68 Pt   -0.00000    0.12348   -0.01495
 69 O    -0.00748   -0.00407   -0.01029
 70 O     0.00748   -0.00407   -0.01029
 71 O    -0.00000    0.00732   -0.02485
 72 N    -0.00000    0.16181    0.39109
 73 N     0.00000   -0.43044   -0.16819

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.836689   24.281058    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.080796   23.473183    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:28:57  -3.64   +inf  -414.180557    3      1      
iter:   2  03:31:07  -4.01  -3.18  -414.273357    3      1      
iter:   3  03:33:17  -4.30  -2.66  -414.198894    3      1      
iter:   4  03:35:27  -4.70  -3.07  -414.181840    3      1      
iter:   5  03:37:36  -5.11  -3.69  -414.180769    3      1      
iter:   6  03:39:46  -5.11  -3.95  -414.181122    3      1      
iter:   7  03:41:54  -5.12  -3.77  -414.179848    3      1      
iter:   8  03:44:01  -5.56  -4.37  -414.179841    2      1      
iter:   9  03:46:08  -6.15  -4.34  -414.179985    2      1      
iter:  10  03:48:16  -6.53  -4.41  -414.179586    2      1      
iter:  11  03:50:23  -6.73  -4.44  -414.179834    2      1      
iter:  12  03:52:30  -6.70  -4.62  -414.179758    2      1      
iter:  13  03:54:37  -6.97  -4.78  -414.179896    2      1      
iter:  14  03:56:45  -7.07  -4.54  -414.179840    2      1      
iter:  15  03:58:52  -7.09  -4.89  -414.179782    2      1      
iter:  16  04:00:41  -7.47  -4.93  -414.179819    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961629, -32.773516, 0.198981) |e|*Ang

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

Kinetic:        +19.212579
Potential:     -137.316049
External:        +0.000000
XC:            -305.819607
Entropy (-ST):   -1.554999
Local:          +10.520757
--------------------------
Free energy:   -414.957319
Extrapolated:  -414.179819

Fermi level: -6.36817

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.44765    0.15308
  0   340     -6.42365    0.14117
  0   341     -6.42196    0.14029
  0   342     -6.39064    0.12354

  1   339     -6.34507    0.19667
  1   340     -6.29510    0.14447
  1   341     -6.25715    0.11015
  1   342     -6.25142    0.10547



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17408
  1 Pt   -0.00000    0.00313   -0.37770
  2 Pt    0.00000   -0.01907   -0.43526
  3 O    -1.68330    0.00001   -0.71888
  4 O     1.68330    0.00001   -0.71888
  5 O     0.00000   -0.01094   -1.39845
  6 O     0.00000   -0.00268    1.76956
  7 Pt   -0.00000    0.01394    0.45062
  8 Pt    0.00000   -0.04226    0.77721
  9 O    -1.58122    0.00071    0.04987
 10 O     1.58122    0.00071    0.04987
 11 O     0.00000   -0.00886   -0.56219
 12 O    -0.00000    0.00475    0.08611
 13 Pt   -0.00000    0.13273   -0.02280
 14 Pt    0.00000   -0.02005    0.00260
 15 O    -0.00004    0.00989    0.00400
 16 O     0.00004    0.00989    0.00400
 17 O     0.00000   -0.06422   -0.46348
 18 O    -0.00000    0.00182    0.02021
 19 Pt    0.00000   -0.03707    0.03529
 20 Pt   -0.00000    0.10531    0.06668
 21 O    -0.14867    0.24800    0.16356
 22 O     0.14867    0.24800    0.16356
 23 O     0.00000   -0.01558   -0.03896
 24 O     0.00000   -0.00023    1.15107
 25 Pt   -0.00000    0.01119   -0.38075
 26 Pt    0.00000   -0.00019   -0.43394
 27 O    -1.69179    0.01362   -0.71821
 28 O     1.69179    0.01362   -0.71821
 29 O    -0.00000    0.05334   -1.38683
 30 O     0.00000   -0.00480    1.83241
 31 Pt   -0.00000    0.01896    0.51030
 32 Pt    0.00000   -0.16632    0.55929
 33 O    -1.61418   -0.01902    0.06927
 34 O     1.61418   -0.01902    0.06927
 35 O     0.00000   -0.03256   -0.52199
 36 O    -0.00000    0.12581   -0.08146
 37 Pt    0.00000   -0.14216   -0.02440
 38 Pt    0.00000   -0.00477   -0.01002
 39 O     0.01021    0.01242    0.01597
 40 O    -0.01021    0.01242    0.01597
 41 O     0.00000    0.00178   -0.02019
 42 O    -0.00000    0.02160   -0.01161
 43 Pt   -0.00000    0.00203   -0.00969
 44 Pt    0.00000   -0.01909   -0.00654
 45 O    -0.08546   -0.18670    0.03932
 46 O     0.08546   -0.18670    0.03932
 47 O     0.00000   -0.02459   -0.02388
 48 O    -0.00000    0.02179    1.17298
 49 Pt    0.00000   -0.02274   -0.38099
 50 Pt   -0.00000    0.02119   -0.43562
 51 O    -1.69061   -0.01393   -0.71890
 52 O     1.69061   -0.01393   -0.71890
 53 O     0.00000   -0.01853   -1.40288
 54 O     0.00000   -0.00175    1.77521
 55 Pt    0.00000   -0.01205    0.51478
 56 Pt   -0.00000    0.14732    0.63589
 57 O    -1.61294    0.01389    0.09480
 58 O     1.61294    0.01389    0.09480
 59 O     0.00000   -0.02112   -0.51371
 60 O     0.00000   -0.11854   -0.08240
 61 Pt   -0.00000    0.00789   -0.04316
 62 Pt   -0.00000    0.01760   -0.00587
 63 O    -0.00812   -0.00767    0.00262
 64 O     0.00812   -0.00767    0.00262
 65 O     0.00000   -0.00466    0.00336
 66 O     0.00000   -0.00010    0.00184
 67 Pt   -0.00000    0.00993    0.01126
 68 Pt   -0.00000    0.12460   -0.02061
 69 O    -0.00830   -0.00370   -0.01417
 70 O     0.00830   -0.00370   -0.01417
 71 O    -0.00000    0.00686   -0.02752
 72 N     0.00000   -0.16690    0.06706
 73 N     0.00000   -0.11496    0.13959

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.838083   24.281120    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.076688   23.480395    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:08:34  -3.80   +inf  -414.184697    3      1      
iter:   2  04:10:45  -4.08  -3.28  -414.313179    3      1      
iter:   3  04:12:54  -4.35  -2.54  -414.181376    3      1      
iter:   4  04:15:05  -5.06  -4.02  -414.180507    3      1      
iter:   5  04:17:15  -5.48  -4.26  -414.181005    2      1      
iter:   6  04:19:26  -5.55  -4.36  -414.180635    3      1      
iter:   7  04:21:35  -5.64  -4.13  -414.180823    2      1      
iter:   8  04:23:44  -6.02  -4.54  -414.180802    2      1      
iter:   9  04:25:51  -6.55  -4.79  -414.180816    2      1      
iter:  10  04:27:57  -7.00  -4.65  -414.180949    2      1      
iter:  11  04:30:05  -7.14  -4.67  -414.180730    2      1      
iter:  12  04:32:11  -7.48  -4.85  -414.180792    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961671, -32.770659, 0.195914) |e|*Ang

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

Kinetic:        +19.373502
Potential:     -137.450837
External:        +0.000000
XC:            -305.848604
Entropy (-ST):   -1.555348
Local:          +10.522821
--------------------------
Free energy:   -414.958466
Extrapolated:  -414.180792

Fermi level: -6.37052

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.44952    0.15285
  0   340     -6.42614    0.14124
  0   341     -6.42445    0.14037
  0   342     -6.39295    0.12352

  1   339     -6.34751    0.19677
  1   340     -6.29753    0.14454
  1   341     -6.25955    0.11019
  1   342     -6.25362    0.10535



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17355
  1 Pt   -0.00000    0.00298   -0.37772
  2 Pt    0.00000   -0.01908   -0.43628
  3 O    -1.68228    0.00001   -0.71923
  4 O     1.68228    0.00001   -0.71923
  5 O     0.00000   -0.01096   -1.39787
  6 O     0.00000   -0.00264    1.77342
  7 Pt   -0.00000    0.01380    0.45260
  8 Pt    0.00000   -0.04212    0.77826
  9 O    -1.58116    0.00052    0.05080
 10 O     1.58116    0.00052    0.05080
 11 O     0.00000   -0.00888   -0.56151
 12 O    -0.00000    0.00495    0.08918
 13 Pt   -0.00000    0.13556   -0.02300
 14 Pt    0.00000   -0.02022    0.00299
 15 O    -0.00012    0.00986    0.00398
 16 O     0.00012    0.00986    0.00398
 17 O     0.00000   -0.05931   -0.47665
 18 O    -0.00000    0.00150    0.02056
 19 Pt    0.00000   -0.03660    0.04034
 20 Pt   -0.00000    0.09242    0.06788
 21 O    -0.14973    0.24990    0.16803
 22 O     0.14973    0.24990    0.16803
 23 O     0.00000   -0.01530   -0.03942
 24 O     0.00000   -0.00028    1.15049
 25 Pt   -0.00000    0.01136   -0.38072
 26 Pt    0.00000   -0.00022   -0.43497
 27 O    -1.69075    0.01363   -0.71855
 28 O     1.69075    0.01363   -0.71855
 29 O    -0.00000    0.05308   -1.38653
 30 O     0.00000   -0.00498    1.83654
 31 Pt   -0.00000    0.01908    0.51221
 32 Pt    0.00000   -0.16566    0.56118
 33 O    -1.61417   -0.01885    0.07015
 34 O     1.61417   -0.01885    0.07015
 35 O     0.00000   -0.03259   -0.52114
 36 O    -0.00000    0.12849   -0.08163
 37 Pt    0.00000   -0.14616   -0.02476
 38 Pt    0.00000   -0.00453   -0.01002
 39 O     0.01028    0.01244    0.01592
 40 O    -0.01028    0.01244    0.01592
 41 O     0.00000    0.00174   -0.01724
 42 O    -0.00000    0.02199   -0.01143
 43 Pt   -0.00000    0.00213   -0.00394
 44 Pt    0.00000   -0.02185    0.00036
 45 O    -0.08872   -0.19053    0.04856
 46 O     0.08872   -0.19053    0.04856
 47 O     0.00000   -0.02529   -0.02312
 48 O    -0.00000    0.02185    1.17240
 49 Pt    0.00000   -0.02274   -0.38091
 50 Pt   -0.00000    0.02123   -0.43666
 51 O    -1.68960   -0.01394   -0.71925
 52 O     1.68960   -0.01394   -0.71925
 53 O     0.00000   -0.01833   -1.40273
 54 O     0.00000   -0.00161    1.77933
 55 Pt    0.00000   -0.01203    0.51698
 56 Pt   -0.00000    0.14670    0.63794
 57 O    -1.61304    0.01388    0.09565
 58 O     1.61304    0.01388    0.09565
 59 O     0.00000   -0.02109   -0.51270
 60 O     0.00000   -0.12112   -0.08259
 61 Pt   -0.00000    0.00787   -0.04420
 62 Pt   -0.00000    0.01758   -0.00595
 63 O    -0.00871   -0.00767    0.00253
 64 O     0.00871   -0.00767    0.00253
 65 O     0.00000   -0.00463    0.00561
 66 O     0.00000   -0.00022    0.00195
 67 Pt   -0.00000    0.00948    0.01558
 68 Pt   -0.00000    0.12714   -0.01317
 69 O    -0.00776   -0.00408   -0.01019
 70 O     0.00776   -0.00408   -0.01019
 71 O    -0.00000    0.00729   -0.02628
 72 N     0.00000   -0.02351    0.23305
 73 N     0.00000   -0.25761   -0.01520

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.837164   24.279043    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.074509   23.489055    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:53:05  -3.53   +inf  -414.221383    4      1      
iter:   2  04:55:16  -3.52  -2.90  -414.654068    4      1      
iter:   3  04:57:28  -3.75  -2.27  -414.202688    3      1      
iter:   4  04:59:40  -4.25  -2.89  -414.182209    3      1      
iter:   5  05:01:53  -5.03  -3.70  -414.179698    3      1      
iter:   6  05:04:07  -4.91  -3.61  -414.176823    3      1      
iter:   7  05:06:19  -5.20  -3.84  -414.177248    3      1      
iter:   8  05:08:32  -5.06  -4.01  -414.177187    3      1      
iter:   9  05:10:44  -5.29  -4.19  -414.177182    3      1      
iter:  10  05:12:57  -6.00  -3.90  -414.177744    3      1      
iter:  11  05:15:09  -6.35  -4.09  -414.176941    2      1      
iter:  12  05:17:22  -6.15  -4.16  -414.177479    2      1      
iter:  13  05:19:34  -6.05  -4.33  -414.177277    2      1      
iter:  14  05:21:47  -6.28  -4.65  -414.177187    2      1      
iter:  15  05:23:59  -6.58  -4.63  -414.177170    3      1      
iter:  16  05:26:12  -6.53  -4.65  -414.177133    2      1      
iter:  17  05:28:26  -7.23  -4.60  -414.177230    2      1      
iter:  18  05:30:40  -7.94  -5.10  -414.177179    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961720, -32.769062, 0.194652) |e|*Ang

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

Kinetic:        +20.445360
Potential:     -138.309172
External:        +0.000000
XC:            -306.059770
Entropy (-ST):   -1.555584
Local:          +10.524195
--------------------------
Free energy:   -414.954971
Extrapolated:  -414.177179

Fermi level: -6.37174

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.45079    0.15288
  0   340     -6.42720    0.14116
  0   341     -6.42552    0.14029
  0   342     -6.39431    0.12360

  1   339     -6.34866    0.19670
  1   340     -6.29863    0.14443
  1   341     -6.26082    0.11023
  1   342     -6.25483    0.10534



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17336
  1 Pt   -0.00000    0.00284   -0.37813
  2 Pt    0.00000   -0.01907   -0.43650
  3 O    -1.68277    0.00001   -0.71926
  4 O     1.68277    0.00001   -0.71926
  5 O     0.00000   -0.01097   -1.39767
  6 O     0.00000   -0.00265    1.77106
  7 Pt   -0.00000    0.01395    0.45116
  8 Pt    0.00000   -0.04207    0.77668
  9 O    -1.58134    0.00065    0.05035
 10 O     1.58134    0.00065    0.05035
 11 O     0.00000   -0.00887   -0.56264
 12 O    -0.00000    0.00514    0.08897
 13 Pt   -0.00000    0.13717   -0.02509
 14 Pt    0.00000   -0.02027    0.00181
 15 O    -0.00013    0.00985    0.00345
 16 O     0.00013    0.00985    0.00345
 17 O     0.00000   -0.05529   -0.48645
 18 O    -0.00000    0.00124    0.02062
 19 Pt    0.00000   -0.03653    0.04347
 20 Pt   -0.00000    0.07972    0.06261
 21 O    -0.15092    0.25427    0.17116
 22 O     0.15092    0.25427    0.17116
 23 O     0.00000   -0.01458   -0.03802
 24 O     0.00000   -0.00028    1.15026
 25 Pt   -0.00000    0.01151   -0.38112
 26 Pt    0.00000   -0.00020   -0.43525
 27 O    -1.69125    0.01363   -0.71859
 28 O     1.69125    0.01363   -0.71859
 29 O    -0.00000    0.05296   -1.38666
 30 O     0.00000   -0.00489    1.83403
 31 Pt   -0.00000    0.01895    0.51081
 32 Pt    0.00000   -0.16511    0.56073
 33 O    -1.61432   -0.01898    0.06970
 34 O     1.61432   -0.01898    0.06970
 35 O     0.00000   -0.03258   -0.52229
 36 O    -0.00000    0.12983   -0.08314
 37 Pt    0.00000   -0.14909   -0.02704
 38 Pt    0.00000   -0.00434   -0.01092
 39 O     0.01028    0.01240    0.01519
 40 O    -0.01028    0.01240    0.01519
 41 O     0.00000    0.00206   -0.02021
 42 O    -0.00000    0.02252   -0.01172
 43 Pt   -0.00000    0.00247   -0.00000
 44 Pt    0.00000   -0.02160    0.00352
 45 O    -0.09273   -0.19722    0.05596
 46 O     0.09273   -0.19722    0.05596
 47 O     0.00000   -0.02630   -0.02146
 48 O    -0.00000    0.02183    1.17218
 49 Pt    0.00000   -0.02273   -0.38130
 50 Pt   -0.00000    0.02120   -0.43694
 51 O    -1.69011   -0.01394   -0.71924
 52 O     1.69011   -0.01394   -0.71924
 53 O     0.00000   -0.01825   -1.40282
 54 O     0.00000   -0.00170    1.77683
 55 Pt    0.00000   -0.01205    0.51549
 56 Pt   -0.00000    0.14626    0.63729
 57 O    -1.61316    0.01387    0.09507
 58 O     1.61316    0.01387    0.09507
 59 O     0.00000   -0.02111   -0.51388
 60 O     0.00000   -0.12224   -0.08379
 61 Pt   -0.00000    0.00784   -0.04630
 62 Pt   -0.00000    0.01750   -0.00655
 63 O    -0.00863   -0.00764    0.00231
 64 O     0.00863   -0.00764    0.00231
 65 O     0.00000   -0.00472    0.00289
 66 O     0.00000   -0.00048    0.00165
 67 Pt   -0.00000    0.00933    0.01750
 68 Pt   -0.00000    0.12693   -0.00900
 69 O    -0.00752   -0.00420   -0.00967
 70 O     0.00752   -0.00420   -0.00967
 71 O    -0.00000    0.00761   -0.02455
 72 N    -0.00000    0.67619    0.95754
 73 N     0.00000   -0.89323   -0.76873

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.846277   24.287472    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.064377   23.490772    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:39:57  -2.80   +inf  -414.845121    4      1      
iter:   2  05:42:06  -2.17  -2.22  -426.625742    3      1      
iter:   3  05:44:13  -2.65  -1.62  -414.424197    4      1      
iter:   4  05:46:19  -3.21  -2.45  -414.217025    3      1      
iter:   5  05:48:24  -3.75  -3.11  -414.203989    3      1      
iter:   6  05:50:29  -3.96  -3.03  -414.192365    3      1      
iter:   7  05:52:36  -4.40  -3.43  -414.191944    3      1      
iter:   8  05:54:46  -4.31  -3.19  -414.178844    3      1      
iter:   9  05:56:54  -4.06  -3.63  -414.177283    3      1      
iter:  10  05:59:02  -4.51  -3.68  -414.175339    2      1      
iter:  11  06:01:08  -5.22  -3.82  -414.175953    2      1      
iter:  12  06:03:13  -5.43  -3.89  -414.175392    3      1      
iter:  13  06:05:19  -5.50  -3.76  -414.175535    3      1      
iter:  14  06:07:25  -5.66  -3.76  -414.175845    2      1      
iter:  15  06:09:33  -5.73  -4.08  -414.175660    2      1      
iter:  16  06:11:39  -5.70  -4.09  -414.175809    3      1      
iter:  17  06:13:47  -5.71  -4.09  -414.175239    3      1      
iter:  18  06:15:55  -6.13  -4.22  -414.175340    2      1      
iter:  19  06:18:02  -6.62  -4.49  -414.175313    2      1      
iter:  20  06:19:56  -6.62  -4.35  -414.175098    2      1      
iter:  21  06:21:45  -7.02  -4.48  -414.175206    2      1      
iter:  22  06:23:35  -7.32  -4.80  -414.175186    2      1      
iter:  23  06:25:24  -7.63  -4.89  -414.175253    2      1      

Converged after 23 iterations.

Dipole moment: (-55.961611, -32.762772, 0.190366) |e|*Ang

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

Kinetic:        +17.626755
Potential:     -136.085822
External:        +0.000000
XC:            -305.456957
Entropy (-ST):   -1.555950
Local:          +10.518746
--------------------------
Free energy:   -414.953228
Extrapolated:  -414.175253

Fermi level: -6.37505

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.45369    0.15268
  0   340     -6.43061    0.14121
  0   341     -6.42895    0.14035
  0   342     -6.39747    0.12352

  1   339     -6.35188    0.19659
  1   340     -6.30205    0.14453
  1   341     -6.26415    0.11025
  1   342     -6.25794    0.10518



Forces in eV/Ang:
  0 O     0.00000   -0.01757    1.17621
  1 Pt   -0.00000    0.00270   -0.37704
  2 Pt    0.00000   -0.01906   -0.43481
  3 O    -1.68277    0.00005   -0.71849
  4 O     1.68277    0.00005   -0.71849
  5 O     0.00000   -0.01107   -1.39854
  6 O     0.00000   -0.00265    1.77143
  7 Pt   -0.00000    0.01393    0.45167
  8 Pt    0.00000   -0.04188    0.77640
  9 O    -1.58118    0.00060    0.05045
 10 O     1.58118    0.00060    0.05045
 11 O     0.00000   -0.00886   -0.56182
 12 O    -0.00000    0.00551    0.08987
 13 Pt   -0.00000    0.14138   -0.02276
 14 Pt    0.00000   -0.02028    0.00313
 15 O     0.00011    0.00991    0.00397
 16 O    -0.00011    0.00991    0.00397
 17 O     0.00000   -0.04982   -0.49685
 18 O    -0.00000    0.00164    0.02054
 19 Pt    0.00000   -0.03657    0.03728
 20 Pt   -0.00000    0.07893    0.08566
 21 O    -0.15345    0.25548    0.16011
 22 O     0.15345    0.25548    0.16011
 23 O     0.00000   -0.01658   -0.04716
 24 O     0.00000   -0.00031    1.15306
 25 Pt   -0.00000    0.01160   -0.38007
 26 Pt    0.00000   -0.00021   -0.43357
 27 O    -1.69127    0.01360   -0.71783
 28 O     1.69127    0.01360   -0.71783
 29 O    -0.00000    0.05281   -1.38772
 30 O     0.00000   -0.00480    1.83466
 31 Pt   -0.00000    0.01901    0.51132
 32 Pt    0.00000   -0.16472    0.56110
 33 O    -1.61414   -0.01895    0.06974
 34 O     1.61414   -0.01895    0.06974
 35 O     0.00000   -0.03255   -0.52147
 36 O    -0.00000    0.13174   -0.08319
 37 Pt    0.00000   -0.15423   -0.02467
 38 Pt    0.00000   -0.00463   -0.01018
 39 O     0.01024    0.01242    0.01595
 40 O    -0.01024    0.01242    0.01595
 41 O     0.00000    0.00169   -0.01421
 42 O    -0.00000    0.02194   -0.01165
 43 Pt   -0.00000    0.00148   -0.00613
 44 Pt    0.00000   -0.02731   -0.00409
 45 O    -0.09407   -0.19905    0.04562
 46 O     0.09407   -0.19905    0.04562
 47 O     0.00000   -0.02279   -0.02968
 48 O    -0.00000    0.02183    1.17499
 49 Pt    0.00000   -0.02268   -0.38016
 50 Pt   -0.00000    0.02120   -0.43518
 51 O    -1.69012   -0.01395   -0.71849
 52 O     1.69012   -0.01395   -0.71849
 53 O     0.00000   -0.01807   -1.40414
 54 O     0.00000   -0.00177    1.77744
 55 Pt    0.00000   -0.01205    0.51597
 56 Pt   -0.00000    0.14574    0.63815
 57 O    -1.61303    0.01385    0.09500
 58 O     1.61303    0.01385    0.09500
 59 O     0.00000   -0.02114   -0.51312
 60 O     0.00000   -0.12514   -0.08482
 61 Pt   -0.00000    0.00820   -0.04562
 62 Pt   -0.00000    0.01768   -0.00596
 63 O    -0.00872   -0.00765    0.00255
 64 O     0.00872   -0.00765    0.00255
 65 O     0.00000   -0.00467    0.00736
 66 O     0.00000   -0.00054    0.00160
 67 Pt   -0.00000    0.00962    0.01192
 68 Pt   -0.00000    0.12816   -0.01933
 69 O    -0.00919   -0.00351   -0.01840
 70 O     0.00919   -0.00351   -0.01840
 71 O    -0.00000    0.00620   -0.03177
 72 N     0.00000   -1.12764   -0.86649
 73 N    -0.00000    0.85541    0.99104

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.846854   24.288406    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.061722   23.497740    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:34:18  -3.92   +inf  -414.182576    3      1      
iter:   2  06:36:29  -4.17  -3.29  -414.296908    3      1      
iter:   3  06:38:41  -4.44  -2.57  -414.177306    2      1      
iter:   4  06:40:54  -5.08  -3.88  -414.178518    3      1      
iter:   5  06:43:06  -5.43  -4.28  -414.177861    3      1      
iter:   6  06:45:20  -5.52  -4.16  -414.178172    3      1      
iter:   7  06:47:33  -5.55  -4.22  -414.178088    3      1      
iter:   8  06:49:45  -6.10  -4.35  -414.178123    2      1      
iter:   9  06:51:57  -6.59  -4.77  -414.178117    2      1      
iter:  10  06:54:09  -6.86  -4.66  -414.178137    2      1      
iter:  11  06:56:21  -7.02  -4.41  -414.178046    2      1      
iter:  12  06:58:33  -7.22  -4.95  -414.178134    2      1      
iter:  13  07:00:46  -7.79  -4.96  -414.178074    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961710, -32.760177, 0.188390) |e|*Ang

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

Kinetic:        +17.770342
Potential:     -136.188915
External:        +0.000000
XC:            -305.503255
Entropy (-ST):   -1.556312
Local:          +10.521910
--------------------------
Free energy:   -414.956230
Extrapolated:  -414.178074

Fermi level: -6.37678

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.45538    0.15266
  0   340     -6.43224    0.14116
  0   341     -6.43058    0.14030
  0   342     -6.39936    0.12360

  1   339     -6.35363    0.19662
  1   340     -6.30367    0.14442
  1   341     -6.26596    0.11032
  1   342     -6.25962    0.10514



Forces in eV/Ang:
  0 O     0.00000   -0.01755    1.17371
  1 Pt   -0.00000    0.00258   -0.37744
  2 Pt    0.00000   -0.01906   -0.43574
  3 O    -1.68275    0.00003   -0.71923
  4 O     1.68275    0.00003   -0.71923
  5 O     0.00000   -0.01106   -1.39755
  6 O     0.00000   -0.00266    1.77162
  7 Pt   -0.00000    0.01400    0.45135
  8 Pt    0.00000   -0.04180    0.77553
  9 O    -1.58123    0.00065    0.05041
 10 O     1.58123    0.00065    0.05041
 11 O     0.00000   -0.00886   -0.56309
 12 O    -0.00000    0.00573    0.09092
 13 Pt   -0.00000    0.14314   -0.02484
 14 Pt    0.00000   -0.02033    0.00280
 15 O     0.00000    0.00993    0.00362
 16 O    -0.00000    0.00993    0.00362
 17 O     0.00000   -0.04651   -0.50814
 18 O    -0.00000    0.00137    0.02062
 19 Pt    0.00000   -0.03613    0.04189
 20 Pt   -0.00000    0.06945    0.08769
 21 O    -0.15287    0.25733    0.16779
 22 O     0.15287    0.25733    0.16779
 23 O     0.00000   -0.01544   -0.04367
 24 O     0.00000   -0.00031    1.15057
 25 Pt   -0.00000    0.01173   -0.38046
 26 Pt    0.00000   -0.00020   -0.43459
 27 O    -1.69126    0.01361   -0.71856
 28 O     1.69126    0.01361   -0.71856
 29 O    -0.00000    0.05265   -1.38707
 30 O     0.00000   -0.00485    1.83466
 31 Pt   -0.00000    0.01894    0.51100
 32 Pt    0.00000   -0.16421    0.56121
 33 O    -1.61419   -0.01903    0.06968
 34 O     1.61419   -0.01903    0.06968
 35 O     0.00000   -0.03256   -0.52261
 36 O    -0.00000    0.13323   -0.08411
 37 Pt    0.00000   -0.15700   -0.02698
 38 Pt    0.00000   -0.00438   -0.01032
 39 O     0.01019    0.01239    0.01550
 40 O    -0.01019    0.01239    0.01550
 41 O     0.00000    0.00210   -0.01917
 42 O    -0.00000    0.02254   -0.01184
 43 Pt   -0.00000    0.00155   -0.00010
 44 Pt    0.00000   -0.02874    0.00124
 45 O    -0.09680   -0.20292    0.05860
 46 O     0.09680   -0.20292    0.05860
 47 O     0.00000   -0.02456   -0.02543
 48 O    -0.00000    0.02181    1.17249
 49 Pt    0.00000   -0.02267   -0.38057
 50 Pt   -0.00000    0.02119   -0.43621
 51 O    -1.69013   -0.01395   -0.71920
 52 O     1.69013   -0.01395   -0.71920
 53 O     0.00000   -0.01797   -1.40351
 54 O     0.00000   -0.00172    1.77747
 55 Pt    0.00000   -0.01205    0.51574
 56 Pt   -0.00000    0.14527    0.63817
 57 O    -1.61307    0.01385    0.09489
 58 O     1.61307    0.01385    0.09489
 59 O     0.00000   -0.02112   -0.51424
 60 O     0.00000   -0.12655   -0.08546
 61 Pt   -0.00000    0.00821   -0.04778
 62 Pt   -0.00000    0.01752   -0.00598
 63 O    -0.00888   -0.00766    0.00242
 64 O     0.00888   -0.00766    0.00242
 65 O     0.00000   -0.00496    0.00248
 66 O     0.00000   -0.00084    0.00149
 67 Pt   -0.00000    0.00924    0.01494
 68 Pt   -0.00000    0.12892   -0.01362
 69 O    -0.00768   -0.00389   -0.01234
 70 O     0.00768   -0.00389   -0.01234
 71 O    -0.00000    0.00685   -0.02779
 72 N     0.00000   -0.89679   -0.65303
 73 N    -0.00000    0.67754    0.80653

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.848497   24.290471    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.058145   23.504314    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:28:40  -3.90   +inf  -414.181988    3      1      
iter:   2  07:30:48  -4.03  -3.22  -414.366420    3      1      
iter:   3  07:32:59  -4.32  -2.47  -414.179996    2      1      
iter:   4  07:35:11  -4.99  -3.87  -414.178407    3      1      
iter:   5  07:37:23  -5.35  -3.96  -414.178664    3      1      
iter:   6  07:39:35  -5.50  -4.36  -414.178530    3      1      
iter:   7  07:41:46  -5.65  -4.50  -414.178426    2      1      
iter:   8  07:43:57  -6.18  -4.65  -414.178432    2      1      
iter:   9  07:46:09  -6.64  -4.69  -414.178306    2      1      
iter:  10  07:48:20  -7.02  -4.72  -414.178535    2      1      
iter:  11  07:50:32  -7.32  -4.71  -414.178315    2      1      
iter:  12  07:52:45  -7.51  -4.81  -414.178420    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961771, -32.757267, 0.186226) |e|*Ang

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

Kinetic:        +17.623242
Potential:     -136.075874
External:        +0.000000
XC:            -305.469651
Entropy (-ST):   -1.556581
Local:          +10.522153
--------------------------
Free energy:   -414.956710
Extrapolated:  -414.178420

Fermi level: -6.37889

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.45744    0.15264
  0   340     -6.43424    0.14110
  0   341     -6.43257    0.14024
  0   342     -6.40154    0.12365

  1   339     -6.35558    0.19644
  1   340     -6.30570    0.14434
  1   341     -6.26808    0.11033
  1   342     -6.26164    0.10507



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17387
  1 Pt   -0.00000    0.00245   -0.37776
  2 Pt    0.00000   -0.01906   -0.43524
  3 O    -1.68327    0.00005   -0.71894
  4 O     1.68327    0.00005   -0.71894
  5 O     0.00000   -0.01107   -1.39719
  6 O     0.00000   -0.00262    1.76857
  7 Pt   -0.00000    0.01386    0.44982
  8 Pt    0.00000   -0.04170    0.77397
  9 O    -1.58128    0.00051    0.04978
 10 O     1.58128    0.00051    0.04978
 11 O     0.00000   -0.00886   -0.56375
 12 O    -0.00000    0.00576    0.09153
 13 Pt   -0.00000    0.14643   -0.02541
 14 Pt    0.00000   -0.02047    0.00271
 15 O     0.00037    0.00981    0.00352
 16 O    -0.00037    0.00981    0.00352
 17 O     0.00000   -0.04296   -0.52000
 18 O    -0.00000    0.00136    0.02061
 19 Pt    0.00000   -0.03599    0.04230
 20 Pt   -0.00000    0.06365    0.09254
 21 O    -0.15382    0.25962    0.16736
 22 O     0.15382    0.25962    0.16736
 23 O     0.00000   -0.01480   -0.04300
 24 O     0.00000   -0.00036    1.15071
 25 Pt   -0.00000    0.01187   -0.38074
 26 Pt    0.00000   -0.00025   -0.43406
 27 O    -1.69177    0.01358   -0.71827
 28 O     1.69177    0.01358   -0.71827
 29 O    -0.00000    0.05247   -1.38688
 30 O     0.00000   -0.00492    1.83197
 31 Pt   -0.00000    0.01906    0.50939
 32 Pt    0.00000   -0.16364    0.56044
 33 O    -1.61426   -0.01890    0.06903
 34 O     1.61426   -0.01890    0.06903
 35 O     0.00000   -0.03258   -0.52320
 36 O    -0.00000    0.13559   -0.08611
 37 Pt    0.00000   -0.16105   -0.02743
 38 Pt    0.00000   -0.00434   -0.01082
 39 O     0.01065    0.01248    0.01543
 40 O    -0.01065    0.01248    0.01543
 41 O     0.00000    0.00196   -0.01929
 42 O    -0.00000    0.02240   -0.01203
 43 Pt   -0.00000    0.00136    0.00289
 44 Pt    0.00000   -0.03291    0.00538
 45 O    -0.10004   -0.20717    0.06453
 46 O     0.10004   -0.20717    0.06453
 47 O     0.00000   -0.02524   -0.02533
 48 O    -0.00000    0.02184    1.17261
 49 Pt    0.00000   -0.02267   -0.38080
 50 Pt   -0.00000    0.02124   -0.43568
 51 O    -1.69063   -0.01394   -0.71892
 52 O     1.69063   -0.01394   -0.71892
 53 O     0.00000   -0.01784   -1.40343
 54 O     0.00000   -0.00169    1.77480
 55 Pt    0.00000   -0.01203    0.51431
 56 Pt   -0.00000    0.14471    0.63757
 57 O    -1.61321    0.01384    0.09414
 58 O     1.61321    0.01384    0.09414
 59 O     0.00000   -0.02111   -0.51469
 60 O     0.00000   -0.12871   -0.08745
 61 Pt   -0.00000    0.00816   -0.04952
 62 Pt   -0.00000    0.01763   -0.00671
 63 O    -0.00883   -0.00762    0.00223
 64 O     0.00883   -0.00762    0.00223
 65 O     0.00000   -0.00472    0.00092
 66 O     0.00000   -0.00078    0.00108
 67 Pt   -0.00000    0.00911    0.01398
 68 Pt   -0.00000    0.13049   -0.01438
 69 O    -0.00734   -0.00397   -0.01387
 70 O     0.00734   -0.00397   -0.01387
 71 O    -0.00000    0.00711   -0.02805
 72 N     0.00000   -0.96579   -0.71015
 73 N    -0.00000    0.66886    0.93301

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.850236   24.292825    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.053981   23.511359    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:15:24  -3.82   +inf  -414.177021    3      1      
iter:   2  08:17:32  -4.40  -3.48  -414.201952    3      1      
iter:   3  08:19:40  -4.65  -2.97  -414.184506    3      1      
iter:   4  08:21:48  -5.14  -3.38  -414.179143    3      1      
iter:   5  08:23:55  -5.53  -4.01  -414.179234    2      1      
iter:   6  08:26:02  -5.39  -4.00  -414.178896    3      1      
iter:   7  08:28:07  -5.58  -4.38  -414.178766    2      1      
iter:   8  08:30:12  -6.10  -4.65  -414.178769    2      1      
iter:   9  08:32:17  -6.64  -4.68  -414.178580    2      1      
iter:  10  08:34:24  -7.18  -4.69  -414.178821    2      1      
iter:  11  08:36:31  -7.29  -4.74  -414.178669    2      1      
iter:  12  08:38:40  -7.29  -4.85  -414.178718    2      1      
iter:  13  08:40:48  -7.51  -4.83  -414.178769    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961760, -32.754246, 0.184070) |e|*Ang

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

Kinetic:        +17.481907
Potential:     -135.976698
External:        +0.000000
XC:            -305.427472
Entropy (-ST):   -1.556763
Local:          +10.521875
--------------------------
Free energy:   -414.957151
Extrapolated:  -414.178769

Fermi level: -6.38055

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.45875    0.15247
  0   340     -6.43599    0.14114
  0   341     -6.43435    0.14030
  0   342     -6.40318    0.12363

  1   339     -6.35721    0.19641
  1   340     -6.30744    0.14442
  1   341     -6.26980    0.11037
  1   342     -6.26314    0.10494



Forces in eV/Ang:
  0 O     0.00000   -0.01752    1.17381
  1 Pt   -0.00000    0.00229   -0.37729
  2 Pt    0.00000   -0.01908   -0.43506
  3 O    -1.68304    0.00003   -0.71880
  4 O     1.68304    0.00003   -0.71880
  5 O     0.00000   -0.01110   -1.39647
  6 O     0.00000   -0.00263    1.77053
  7 Pt   -0.00000    0.01399    0.45086
  8 Pt    0.00000   -0.04160    0.77396
  9 O    -1.58097    0.00061    0.05039
 10 O     1.58097    0.00061    0.05039
 11 O     0.00000   -0.00884   -0.56292
 12 O    -0.00000    0.00611    0.09373
 13 Pt   -0.00000    0.14902   -0.02425
 14 Pt    0.00000   -0.02042    0.00386
 15 O     0.00032    0.00990    0.00412
 16 O    -0.00032    0.00990    0.00412
 17 O     0.00000   -0.03899   -0.53036
 18 O    -0.00000    0.00139    0.02067
 19 Pt    0.00000   -0.03603    0.04332
 20 Pt   -0.00000    0.05427    0.08962
 21 O    -0.15608    0.26289    0.16713
 22 O     0.15608    0.26289    0.16713
 23 O     0.00000   -0.01527   -0.04498
 24 O     0.00000   -0.00034    1.15064
 25 Pt   -0.00000    0.01201   -0.38027
 26 Pt    0.00000   -0.00021   -0.43396
 27 O    -1.69154    0.01359   -0.71813
 28 O     1.69154    0.01359   -0.71813
 29 O    -0.00000    0.05228   -1.38669
 30 O     0.00000   -0.00485    1.83381
 31 Pt   -0.00000    0.01897    0.51051
 32 Pt    0.00000   -0.16315    0.56150
 33 O    -1.61394   -0.01900    0.06963
 34 O     1.61394   -0.01900    0.06963
 35 O     0.00000   -0.03257   -0.52231
 36 O    -0.00000    0.13796   -0.08593
 37 Pt    0.00000   -0.16466   -0.02644
 38 Pt    0.00000   -0.00435   -0.00980
 39 O     0.01049    0.01241    0.01610
 40 O    -0.01049    0.01241    0.01610
 41 O     0.00000    0.00199   -0.01675
 42 O    -0.00000    0.02262   -0.01216
 43 Pt   -0.00000    0.00139    0.00338
 44 Pt    0.00000   -0.03462    0.00299
 45 O    -0.10353   -0.21220    0.06670
 46 O     0.10353   -0.21220    0.06670
 47 O     0.00000   -0.02453   -0.02688
 48 O    -0.00000    0.02182    1.17256
 49 Pt    0.00000   -0.02264   -0.38033
 50 Pt   -0.00000    0.02121   -0.43558
 51 O    -1.69043   -0.01393   -0.71877
 52 O     1.69043   -0.01393   -0.71877
 53 O     0.00000   -0.01767   -1.40331
 54 O     0.00000   -0.00175    1.77652
 55 Pt    0.00000   -0.01207    0.51536
 56 Pt   -0.00000    0.14423    0.63861
 57 O    -1.61285    0.01382    0.09464
 58 O     1.61285    0.01382    0.09464
 59 O     0.00000   -0.02114   -0.51389
 60 O     0.00000   -0.13129   -0.08728
 61 Pt   -0.00000    0.00831   -0.04918
 62 Pt   -0.00000    0.01759   -0.00549
 63 O    -0.00901   -0.00763    0.00280
 64 O     0.00901   -0.00763    0.00280
 65 O     0.00000   -0.00478    0.00312
 66 O     0.00000   -0.00110    0.00098
 67 Pt   -0.00000    0.00915    0.01428
 68 Pt   -0.00000    0.13161   -0.01498
 69 O    -0.00795   -0.00383   -0.01508
 70 O     0.00795   -0.00383   -0.01508
 71 O    -0.00000    0.00689   -0.02908
 72 N     0.00000   -1.05245   -0.78987
 73 N    -0.00000    0.74012    1.03031

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.850467   24.294467    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.050533   23.519509    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:57:24  -3.81   +inf  -414.183037    3      1      
iter:   2  08:59:31  -4.44  -3.65  -414.202773    3      1      
iter:   3  09:01:37  -4.75  -2.93  -414.182336    2      1      
iter:   4  09:03:42  -5.32  -3.94  -414.182514    2      1      
iter:   5  09:05:48  -5.54  -4.23  -414.181547    3      1      
iter:   6  09:07:55  -5.57  -4.10  -414.182113    3      1      
iter:   7  09:10:02  -5.67  -4.31  -414.182203    3      1      
iter:   8  09:12:10  -6.11  -4.54  -414.182204    2      1      
iter:   9  09:14:18  -6.87  -4.65  -414.182197    2      1      
iter:  10  09:16:28  -6.90  -4.48  -414.182094    2      1      
iter:  11  09:18:37  -6.86  -4.78  -414.182224    2      1      
iter:  12  09:20:46  -7.24  -4.87  -414.182066    2      1      
iter:  13  09:22:54  -7.48  -5.05  -414.182167    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961782, -32.751075, 0.180725) |e|*Ang

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

Kinetic:        +17.767049
Potential:     -136.220511
External:        +0.000000
XC:            -305.472298
Entropy (-ST):   -1.557058
Local:          +10.522122
--------------------------
Free energy:   -414.960696
Extrapolated:  -414.182167

Fermi level: -6.38339

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46141    0.15238
  0   340     -6.43878    0.14112
  0   341     -6.43715    0.14028
  0   342     -6.40609    0.12367

  1   339     -6.36007    0.19642
  1   340     -6.31023    0.14438
  1   341     -6.27268    0.11041
  1   342     -6.26591    0.10488



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17365
  1 Pt   -0.00000    0.00216   -0.37773
  2 Pt    0.00000   -0.01906   -0.43645
  3 O    -1.68290    0.00003   -0.71934
  4 O     1.68290    0.00003   -0.71934
  5 O     0.00000   -0.01113   -1.39653
  6 O     0.00000   -0.00267    1.77048
  7 Pt   -0.00000    0.01403    0.45114
  8 Pt    0.00000   -0.04156    0.77392
  9 O    -1.58127    0.00059    0.05049
 10 O     1.58127    0.00059    0.05049
 11 O     0.00000   -0.00886   -0.56294
 12 O    -0.00000    0.00627    0.09460
 13 Pt   -0.00000    0.15128   -0.02592
 14 Pt    0.00000   -0.02040    0.00302
 15 O     0.00008    0.00998    0.00362
 16 O    -0.00008    0.00998    0.00362
 17 O     0.00000   -0.03574   -0.54042
 18 O    -0.00000    0.00124    0.02119
 19 Pt    0.00000   -0.03596    0.04707
 20 Pt   -0.00000    0.04605    0.09648
 21 O    -0.15671    0.26525    0.17068
 22 O     0.15671    0.26525    0.17068
 23 O     0.00000   -0.01539   -0.04568
 24 O     0.00000   -0.00037    1.15042
 25 Pt   -0.00000    0.01217   -0.38073
 26 Pt    0.00000   -0.00020   -0.43540
 27 O    -1.69141    0.01360   -0.71868
 28 O     1.69141    0.01360   -0.71868
 29 O    -0.00000    0.05215   -1.38694
 30 O     0.00000   -0.00485    1.83366
 31 Pt   -0.00000    0.01894    0.51084
 32 Pt    0.00000   -0.16260    0.56245
 33 O    -1.61423   -0.01901    0.06974
 34 O     1.61423   -0.01901    0.06974
 35 O     0.00000   -0.03258   -0.52231
 36 O    -0.00000    0.13893   -0.08625
 37 Pt    0.00000   -0.16813   -0.02833
 38 Pt    0.00000   -0.00431   -0.01054
 39 O     0.01022    0.01235    0.01550
 40 O    -0.01022    0.01235    0.01550
 41 O     0.00000    0.00217   -0.01807
 42 O    -0.00000    0.02298   -0.01180
 43 Pt   -0.00000    0.00158    0.00724
 44 Pt    0.00000   -0.03565    0.00754
 45 O    -0.10591   -0.21638    0.07240
 46 O     0.10591   -0.21638    0.07240
 47 O     0.00000   -0.02461   -0.02642
 48 O    -0.00000    0.02184    1.17235
 49 Pt    0.00000   -0.02265   -0.38073
 50 Pt   -0.00000    0.02119   -0.43701
 51 O    -1.69033   -0.01395   -0.71929
 52 O     1.69033   -0.01395   -0.71929
 53 O     0.00000   -0.01755   -1.40352
 54 O     0.00000   -0.00171    1.77640
 55 Pt    0.00000   -0.01206    0.51566
 56 Pt   -0.00000    0.14377    0.63943
 57 O    -1.61319    0.01384    0.09462
 58 O     1.61319    0.01384    0.09462
 59 O     0.00000   -0.02111   -0.51397
 60 O     0.00000   -0.13218   -0.08748
 61 Pt   -0.00000    0.00842   -0.05129
 62 Pt   -0.00000    0.01756   -0.00604
 63 O    -0.00941   -0.00768    0.00247
 64 O     0.00941   -0.00768    0.00247
 65 O     0.00000   -0.00478    0.00233
 66 O     0.00000   -0.00135    0.00142
 67 Pt   -0.00000    0.00904    0.01707
 68 Pt   -0.00000    0.13221   -0.00890
 69 O    -0.00753   -0.00382   -0.01238
 70 O     0.00753   -0.00382   -0.01238
 71 O    -0.00000    0.00707   -0.02817
 72 N     0.00000   -0.85021   -0.61726
 73 N    -0.00000    0.64525    0.75152

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.850828   24.296454    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.047542   23.526778    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:42:08  -3.91   +inf  -414.184801    3      1      
iter:   2  09:44:19  -4.59  -3.75  -414.194299    3      1      
iter:   3  09:46:32  -4.90  -3.05  -414.183662    2      1      
iter:   4  09:48:44  -5.44  -3.90  -414.184345    2      1      
iter:   5  09:50:56  -5.74  -4.31  -414.183767    3      1      
iter:   6  09:53:07  -5.73  -4.25  -414.183889    3      1      
iter:   7  09:55:20  -5.80  -4.44  -414.183992    2      1      
iter:   8  09:57:31  -6.26  -4.71  -414.184001    2      1      
iter:   9  09:59:44  -6.91  -4.79  -414.184055    2      1      
iter:  10  10:01:56  -7.19  -4.75  -414.183835    2      1      
iter:  11  10:04:06  -7.26  -4.87  -414.184019    2      1      
iter:  12  10:06:18  -7.72  -4.87  -414.183921    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961795, -32.748303, 0.178637) |e|*Ang

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

Kinetic:        +17.947613
Potential:     -136.375949
External:        +0.000000
XC:            -305.500335
Entropy (-ST):   -1.557377
Local:          +10.523438
--------------------------
Free energy:   -414.962609
Extrapolated:  -414.183921

Fermi level: -6.38501

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46289    0.15232
  0   340     -6.44037    0.14110
  0   341     -6.43875    0.14027
  0   342     -6.40778    0.12371

  1   339     -6.36168    0.19641
  1   340     -6.31181    0.14434
  1   341     -6.27435    0.11045
  1   342     -6.26747    0.10484



Forces in eV/Ang:
  0 O     0.00000   -0.01752    1.17369
  1 Pt   -0.00000    0.00204   -0.37705
  2 Pt    0.00000   -0.01907   -0.43543
  3 O    -1.68289    0.00005   -0.71900
  4 O     1.68289    0.00005   -0.71900
  5 O     0.00000   -0.01114   -1.39601
  6 O     0.00000   -0.00266    1.77059
  7 Pt   -0.00000    0.01399    0.45126
  8 Pt    0.00000   -0.04151    0.77333
  9 O    -1.58135    0.00053    0.05059
 10 O     1.58135    0.00053    0.05059
 11 O     0.00000   -0.00886   -0.56288
 12 O    -0.00000    0.00635    0.09599
 13 Pt   -0.00000    0.15410   -0.02581
 14 Pt    0.00000   -0.02044    0.00295
 15 O    -0.00002    0.00994    0.00374
 16 O     0.00002    0.00994    0.00374
 17 O     0.00000   -0.03263   -0.55196
 18 O    -0.00000    0.00128    0.02119
 19 Pt    0.00000   -0.03599    0.04636
 20 Pt   -0.00000    0.03910    0.09293
 21 O    -0.15814    0.26773    0.17050
 22 O     0.15814    0.26773    0.17050
 23 O     0.00000   -0.01528   -0.04712
 24 O     0.00000   -0.00040    1.15045
 25 Pt   -0.00000    0.01229   -0.38004
 26 Pt    0.00000   -0.00023   -0.43436
 27 O    -1.69140    0.01358   -0.71833
 28 O     1.69140    0.01358   -0.71833
 29 O    -0.00000    0.05198   -1.38674
 30 O     0.00000   -0.00485    1.83401
 31 Pt   -0.00000    0.01899    0.51094
 32 Pt    0.00000   -0.16203    0.56264
 33 O    -1.61432   -0.01893    0.06981
 34 O     1.61432   -0.01893    0.06981
 35 O     0.00000   -0.03256   -0.52217
 36 O    -0.00000    0.14156   -0.08755
 37 Pt    0.00000   -0.17163   -0.02824
 38 Pt    0.00000   -0.00433   -0.01092
 39 O     0.01019    0.01237    0.01568
 40 O    -0.01019    0.01237    0.01568
 41 O     0.00000    0.00209   -0.01771
 42 O    -0.00000    0.02288   -0.01186
 43 Pt   -0.00000    0.00170    0.00732
 44 Pt    0.00000   -0.03786    0.00628
 45 O    -0.10899   -0.22074    0.07683
 46 O     0.10899   -0.22074    0.07683
 47 O     0.00000   -0.02451   -0.02759
 48 O    -0.00000    0.02187    1.17238
 49 Pt    0.00000   -0.02265   -0.37999
 50 Pt   -0.00000    0.02123   -0.43597
 51 O    -1.69030   -0.01395   -0.71895
 52 O     1.69030   -0.01395   -0.71895
 53 O     0.00000   -0.01742   -1.40340
 54 O     0.00000   -0.00173    1.77674
 55 Pt    0.00000   -0.01207    0.51584
 56 Pt   -0.00000    0.14324    0.63968
 57 O    -1.61333    0.01381    0.09459
 58 O     1.61333    0.01381    0.09459
 59 O     0.00000   -0.02113   -0.51376
 60 O     0.00000   -0.13465   -0.08881
 61 Pt   -0.00000    0.00837   -0.05209
 62 Pt   -0.00000    0.01765   -0.00649
 63 O    -0.00972   -0.00767    0.00257
 64 O     0.00972   -0.00767    0.00257
 65 O     0.00000   -0.00469    0.00190
 66 O     0.00000   -0.00135    0.00126
 67 Pt   -0.00000    0.00895    0.01592
 68 Pt   -0.00000    0.13339   -0.01130
 69 O    -0.00759   -0.00389   -0.01373
 70 O     0.00759   -0.00389   -0.01373
 71 O    -0.00000    0.00697   -0.02922
 72 N     0.00000   -0.74639   -0.51174
 73 N    -0.00000    0.54480    0.63024

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.850964   24.298573    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.044771   23.534119    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:26:39  -3.90   +inf  -414.191304    3      1      
iter:   2  10:28:46  -4.29  -3.39  -414.252982    3      1      
iter:   3  10:30:54  -4.53  -2.67  -414.185021    3      1      
iter:   4  10:33:01  -5.14  -3.57  -414.186136    3      1      
iter:   5  10:35:06  -5.71  -4.24  -414.185644    2      1      
iter:   6  10:37:12  -5.60  -4.30  -414.185550    3      1      
iter:   7  10:39:17  -5.76  -4.35  -414.185794    2      1      
iter:   8  10:41:23  -6.15  -4.64  -414.185743    2      1      
iter:   9  10:43:31  -6.84  -4.89  -414.185827    2      1      
iter:  10  10:45:40  -7.05  -4.82  -414.185778    2      1      
iter:  11  10:47:48  -7.36  -4.49  -414.185732    2      1      
iter:  12  10:49:56  -7.47  -5.07  -414.185758    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961806, -32.745642, 0.175829) |e|*Ang

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

Kinetic:        +18.193250
Potential:     -136.589985
External:        +0.000000
XC:            -305.534512
Entropy (-ST):   -1.557492
Local:          +10.524234
--------------------------
Free energy:   -414.964504
Extrapolated:  -414.185758

Fermi level: -6.38731

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46477    0.15212
  0   340     -6.44277    0.14116
  0   341     -6.44118    0.14033
  0   342     -6.41000    0.12366

  1   339     -6.36395    0.19638
  1   340     -6.31421    0.14443
  1   341     -6.27665    0.11045
  1   342     -6.26962    0.10472



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17353
  1 Pt   -0.00000    0.00193   -0.37773
  2 Pt    0.00000   -0.01906   -0.43672
  3 O    -1.68243    0.00008   -0.71940
  4 O     1.68243    0.00008   -0.71940
  5 O     0.00000   -0.01116   -1.39647
  6 O     0.00000   -0.00269    1.77198
  7 Pt   -0.00000    0.01410    0.45222
  8 Pt    0.00000   -0.04148    0.77417
  9 O    -1.58118    0.00055    0.05088
 10 O     1.58118    0.00055    0.05088
 11 O     0.00000   -0.00886   -0.56262
 12 O    -0.00000    0.00658    0.09711
 13 Pt   -0.00000    0.15596   -0.02662
 14 Pt    0.00000   -0.02033    0.00309
 15 O    -0.00011    0.01020    0.00373
 16 O     0.00011    0.01020    0.00373
 17 O     0.00000   -0.02995   -0.56139
 18 O    -0.00000    0.00118    0.02145
 19 Pt    0.00000   -0.03541    0.04967
 20 Pt   -0.00000    0.03232    0.09448
 21 O    -0.15942    0.27030    0.17256
 22 O     0.15942    0.27030    0.17256
 23 O     0.00000   -0.01535   -0.04704
 24 O     0.00000   -0.00043    1.15027
 25 Pt   -0.00000    0.01240   -0.38074
 26 Pt    0.00000   -0.00023   -0.43559
 27 O    -1.69095    0.01355   -0.71873
 28 O     1.69095    0.01355   -0.71873
 29 O    -0.00000    0.05189   -1.38747
 30 O     0.00000   -0.00461    1.83549
 31 Pt   -0.00000    0.01889    0.51198
 32 Pt    0.00000   -0.16146    0.56431
 33 O    -1.61412   -0.01898    0.07011
 34 O     1.61412   -0.01898    0.07011
 35 O     0.00000   -0.03250   -0.52204
 36 O    -0.00000    0.14296   -0.08795
 37 Pt    0.00000   -0.17444   -0.02927
 38 Pt    0.00000   -0.00460   -0.01080
 39 O     0.00994    0.01213    0.01567
 40 O    -0.00994    0.01213    0.01567
 41 O     0.00000    0.00223   -0.01418
 42 O    -0.00000    0.02365   -0.01216
 43 Pt   -0.00000    0.00114    0.01114
 44 Pt    0.00000   -0.03927    0.01003
 45 O    -0.11223   -0.22509    0.08155
 46 O     0.11223   -0.22509    0.08155
 47 O     0.00000   -0.02447   -0.02729
 48 O    -0.00000    0.02188    1.17221
 49 Pt    0.00000   -0.02263   -0.38057
 50 Pt   -0.00000    0.02121   -0.43719
 51 O    -1.68985   -0.01395   -0.71932
 52 O     1.68985   -0.01395   -0.71932
 53 O     0.00000   -0.01734   -1.40407
 54 O     0.00000   -0.00193    1.77823
 55 Pt    0.00000   -0.01208    0.51664
 56 Pt   -0.00000    0.14272    0.64118
 57 O    -1.61319    0.01383    0.09472
 58 O     1.61319    0.01383    0.09472
 59 O     0.00000   -0.02119   -0.51376
 60 O     0.00000   -0.13604   -0.08893
 61 Pt   -0.00000    0.00856   -0.05287
 62 Pt   -0.00000    0.01781   -0.00616
 63 O    -0.00971   -0.00770    0.00252
 64 O     0.00971   -0.00770    0.00252
 65 O     0.00000   -0.00463    0.00551
 66 O     0.00000   -0.00206    0.00100
 67 Pt   -0.00000    0.00897    0.01784
 68 Pt   -0.00000    0.13383   -0.00741
 69 O    -0.00836   -0.00373   -0.01327
 70 O     0.00836   -0.00373   -0.01327
 71 O    -0.00000    0.00704   -0.02884
 72 N     0.00000   -0.61001   -0.36383
 73 N    -0.00000    0.39903    0.51170

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.850745   24.301352    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.041774   23.542657    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:08:55  -3.76   +inf  -414.193853    3      1      
iter:   2  11:11:07  -4.02  -3.20  -414.367961    3      1      
iter:   3  11:13:18  -4.28  -2.48  -414.186710    2      1      
iter:   4  11:15:29  -4.96  -3.83  -414.187929    3      1      
iter:   5  11:17:41  -5.34  -4.25  -414.187236    3      1      
iter:   6  11:19:54  -5.45  -4.18  -414.187499    3      1      
iter:   7  11:22:06  -5.52  -4.13  -414.187505    3      1      
iter:   8  11:24:18  -6.12  -4.50  -414.187494    2      1      
iter:   9  11:26:30  -6.51  -4.80  -414.187522    2      1      
iter:  10  11:28:41  -6.89  -4.74  -414.187342    2      1      
iter:  11  11:30:53  -6.96  -4.58  -414.187510    2      1      
iter:  12  11:33:04  -7.42  -4.63  -414.187479    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961840, -32.743074, 0.174497) |e|*Ang

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

Kinetic:        +18.448428
Potential:     -136.801111
External:        +0.000000
XC:            -305.580882
Entropy (-ST):   -1.557717
Local:          +10.524946
--------------------------
Free energy:   -414.966338
Extrapolated:  -414.187479

Fermi level: -6.38877

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46641    0.15220
  0   340     -6.44400    0.14104
  0   341     -6.44240    0.14021
  0   342     -6.41167    0.12378

  1   339     -6.36524    0.19620
  1   340     -6.31549    0.14426
  1   341     -6.27816    0.11049
  1   342     -6.27104    0.10468



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17368
  1 Pt   -0.00000    0.00179   -0.37777
  2 Pt    0.00000   -0.01907   -0.43633
  3 O    -1.68361    0.00007   -0.71925
  4 O     1.68361    0.00007   -0.71925
  5 O     0.00000   -0.01116   -1.39579
  6 O     0.00000   -0.00268    1.76756
  7 Pt   -0.00000    0.01408    0.44992
  8 Pt    0.00000   -0.04144    0.77118
  9 O    -1.58130    0.00051    0.05016
 10 O     1.58130    0.00051    0.05016
 11 O     0.00000   -0.00886   -0.56382
 12 O    -0.00000    0.00661    0.09728
 13 Pt   -0.00000    0.15918   -0.02696
 14 Pt    0.00000   -0.02044    0.00306
 15 O     0.00023    0.01011    0.00349
 16 O    -0.00023    0.01011    0.00349
 17 O     0.00000   -0.02689   -0.57290
 18 O    -0.00000    0.00119    0.02133
 19 Pt    0.00000   -0.03601    0.04912
 20 Pt   -0.00000    0.02464    0.09281
 21 O    -0.16048    0.27320    0.17315
 22 O     0.16048    0.27320    0.17315
 23 O     0.00000   -0.01531   -0.04800
 24 O     0.00000   -0.00044    1.15039
 25 Pt   -0.00000    0.01255   -0.38075
 26 Pt    0.00000   -0.00025   -0.43527
 27 O    -1.69213    0.01356   -0.71858
 28 O     1.69213    0.01356   -0.71858
 29 O    -0.00000    0.05172   -1.38708
 30 O     0.00000   -0.00472    1.83107
 31 Pt   -0.00000    0.01891    0.50961
 32 Pt    0.00000   -0.16089    0.56233
 33 O    -1.61425   -0.01893    0.06936
 34 O     1.61425   -0.01893    0.06936
 35 O     0.00000   -0.03251   -0.52319
 36 O    -0.00000    0.14518   -0.08994
 37 Pt    0.00000   -0.17839   -0.02952
 38 Pt    0.00000   -0.00439   -0.01093
 39 O     0.01046    0.01221    0.01539
 40 O    -0.01046    0.01221    0.01539
 41 O     0.00000    0.00214   -0.01870
 42 O    -0.00000    0.02330   -0.01192
 43 Pt   -0.00000    0.00199    0.01085
 44 Pt    0.00000   -0.04057    0.00864
 45 O    -0.11448   -0.22971    0.08589
 46 O     0.11448   -0.22971    0.08589
 47 O     0.00000   -0.02446   -0.02794
 48 O    -0.00000    0.02189    1.17232
 49 Pt    0.00000   -0.02264   -0.38059
 50 Pt   -0.00000    0.02124   -0.43687
 51 O    -1.69104   -0.01394   -0.71916
 52 O     1.69104   -0.01394   -0.71916
 53 O     0.00000   -0.01721   -1.40375
 54 O     0.00000   -0.00184    1.77380
 55 Pt    0.00000   -0.01208    0.51445
 56 Pt   -0.00000    0.14221    0.63924
 57 O    -1.61334    0.01381    0.09393
 58 O     1.61334    0.01381    0.09393
 59 O     0.00000   -0.02118   -0.51480
 60 O     0.00000   -0.13806   -0.09100
 61 Pt   -0.00000    0.00843   -0.05459
 62 Pt   -0.00000    0.01774   -0.00641
 63 O    -0.00965   -0.00770    0.00235
 64 O     0.00965   -0.00770    0.00235
 65 O     0.00000   -0.00458    0.00041
 66 O     0.00000   -0.00176    0.00114
 67 Pt   -0.00000    0.00882    0.01691
 68 Pt   -0.00000    0.13495   -0.00856
 69 O    -0.00729   -0.00388   -0.01353
 70 O     0.00729   -0.00388   -0.01353
 71 O    -0.00000    0.00704   -0.02912
 72 N     0.00000   -0.40585   -0.17964
 73 N    -0.00000    0.21854    0.27599

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.850881   24.304675    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.038725   23.551296    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:55:34  -3.74   +inf  -414.208477    3      1      
iter:   2  11:57:53  -3.59  -2.95  -414.787401    3      1      
iter:   3  12:00:01  -3.81  -2.22  -414.189678    3      1      
iter:   4  12:02:09  -4.69  -3.94  -414.189258    2      1      
iter:   5  12:04:19  -5.15  -4.17  -414.188013    2      1      
iter:   6  12:06:28  -5.50  -4.20  -414.188593    2      1      
iter:   7  12:08:37  -5.72  -4.18  -414.188420    3      1      
iter:   8  12:10:47  -5.99  -4.66  -414.188540    2      1      
iter:   9  12:12:56  -6.26  -4.32  -414.188490    2      1      
iter:  10  12:15:06  -6.79  -4.69  -414.188549    2      1      
iter:  11  12:17:16  -7.08  -4.76  -414.188444    2      1      
iter:  12  12:19:26  -7.55  -4.98  -414.188533    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961807, -32.740244, 0.172039) |e|*Ang

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

Kinetic:        +18.686402
Potential:     -137.013348
External:        +0.000000
XC:            -305.609261
Entropy (-ST):   -1.557913
Local:          +10.526630
--------------------------
Free energy:   -414.967490
Extrapolated:  -414.188533

Fermi level: -6.39048

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46772    0.15201
  0   340     -6.44585    0.14111
  0   341     -6.44426    0.14029
  0   342     -6.41335    0.12376

  1   339     -6.36699    0.19623
  1   340     -6.31728    0.14433
  1   341     -6.27992    0.11053
  1   342     -6.27261    0.10457



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17385
  1 Pt   -0.00000    0.00166   -0.37670
  2 Pt    0.00000   -0.01906   -0.43547
  3 O    -1.68267    0.00007   -0.71896
  4 O     1.68267    0.00007   -0.71896
  5 O     0.00000   -0.01119   -1.39516
  6 O     0.00000   -0.00270    1.77138
  7 Pt   -0.00000    0.01403    0.45257
  8 Pt    0.00000   -0.04139    0.77292
  9 O    -1.58138    0.00047    0.05152
 10 O     1.58138    0.00047    0.05152
 11 O     0.00000   -0.00886   -0.56159
 12 O    -0.00000    0.00677    0.10038
 13 Pt   -0.00000    0.16170   -0.02648
 14 Pt    0.00000   -0.02039    0.00368
 15 O    -0.00004    0.01008    0.00431
 16 O     0.00004    0.01008    0.00431
 17 O     0.00000   -0.02412   -0.58159
 18 O    -0.00000    0.00113    0.02276
 19 Pt    0.00000   -0.03552    0.04985
 20 Pt   -0.00000    0.01889    0.09420
 21 O    -0.16210    0.27674    0.17374
 22 O     0.16210    0.27674    0.17374
 23 O     0.00000   -0.01518   -0.05007
 24 O     0.00000   -0.00046    1.15052
 25 Pt   -0.00000    0.01270   -0.37968
 26 Pt    0.00000   -0.00024   -0.43447
 27 O    -1.69120    0.01357   -0.71829
 28 O     1.69120    0.01357   -0.71829
 29 O    -0.00000    0.05152   -1.38682
 30 O     0.00000   -0.00475    1.83492
 31 Pt   -0.00000    0.01895    0.51231
 32 Pt    0.00000   -0.16041    0.56509
 33 O    -1.61433   -0.01891    0.07072
 34 O     1.61433   -0.01891    0.07072
 35 O     0.00000   -0.03253   -0.52085
 36 O    -0.00000    0.14695   -0.08891
 37 Pt    0.00000   -0.18178   -0.02916
 38 Pt    0.00000   -0.00434   -0.01051
 39 O     0.01008    0.01225    0.01630
 40 O    -0.01008    0.01225    0.01630
 41 O     0.00000    0.00213   -0.01458
 42 O    -0.00000    0.02389   -0.01098
 43 Pt   -0.00000    0.00157    0.01297
 44 Pt    0.00000   -0.04257    0.01014
 45 O    -0.11856   -0.23550    0.09140
 46 O     0.11856   -0.23550    0.09140
 47 O     0.00000   -0.02399   -0.02942
 48 O    -0.00000    0.02191    1.17247
 49 Pt    0.00000   -0.02263   -0.37951
 50 Pt   -0.00000    0.02122   -0.43605
 51 O    -1.69014   -0.01396   -0.71887
 52 O     1.69014   -0.01396   -0.71887
 53 O     0.00000   -0.01702   -1.40349
 54 O     0.00000   -0.00178    1.77769
 55 Pt    0.00000   -0.01207    0.51721
 56 Pt   -0.00000    0.14178    0.64199
 57 O    -1.61342    0.01382    0.09518
 58 O     1.61342    0.01382    0.09518
 59 O     0.00000   -0.02116   -0.51245
 60 O     0.00000   -0.13979   -0.08978
 61 Pt   -0.00000    0.00854   -0.05458
 62 Pt   -0.00000    0.01767   -0.00598
 63 O    -0.01033   -0.00772    0.00319
 64 O     0.01033   -0.00772    0.00319
 65 O     0.00000   -0.00434    0.00401
 66 O     0.00000   -0.00233    0.00210
 67 Pt   -0.00000    0.00872    0.01664
 68 Pt   -0.00000    0.13528   -0.00920
 69 O    -0.00799   -0.00384   -0.01471
 70 O     0.00799   -0.00384   -0.01471
 71 O    -0.00000    0.00658   -0.03065
 72 N     0.00000   -0.27306   -0.05235
 73 N    -0.00000    0.09061    0.14752

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.851313   24.308046    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.035458   23.559937    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:40:09  -3.74   +inf  -414.187991    3      1      
iter:   2  12:42:19  -4.43  -3.65  -414.212727    3      1      
iter:   3  12:44:29  -4.76  -2.94  -414.190292    2      1      
iter:   4  12:46:40  -5.28  -3.97  -414.189090    3      1      
iter:   5  12:48:49  -5.46  -4.06  -414.189092    2      1      
iter:   6  12:50:59  -5.55  -4.26  -414.189262    2      1      
iter:   7  12:53:09  -5.86  -4.42  -414.189124    2      1      
iter:   8  12:55:19  -6.24  -4.50  -414.189196    2      1      
iter:   9  12:57:28  -6.74  -4.84  -414.188984    2      1      
iter:  10  12:59:37  -7.11  -4.78  -414.189297    2      1      
iter:  11  13:01:47  -7.29  -4.52  -414.189150    2      1      
iter:  12  13:03:56  -7.78  -5.19  -414.189133    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961881, -32.737172, 0.169638) |e|*Ang

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

Kinetic:        +18.783138
Potential:     -137.100330
External:        +0.000000
XC:            -305.620448
Entropy (-ST):   -1.558294
Local:          +10.527653
--------------------------
Free energy:   -414.968280
Extrapolated:  -414.189133

Fermi level: -6.39247

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.46958    0.15194
  0   340     -6.44776    0.14107
  0   341     -6.44618    0.14025
  0   342     -6.41544    0.12381

  1   339     -6.36896    0.19622
  1   340     -6.31921    0.14428
  1   341     -6.28196    0.11057
  1   342     -6.27453    0.10452



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17396
  1 Pt   -0.00000    0.00152   -0.37666
  2 Pt    0.00000   -0.01907   -0.43500
  3 O    -1.68296    0.00007   -0.71881
  4 O     1.68296    0.00007   -0.71881
  5 O     0.00000   -0.01118   -1.39501
  6 O     0.00000   -0.00266    1.77018
  7 Pt   -0.00000    0.01406    0.45070
  8 Pt    0.00000   -0.04132    0.77089
  9 O    -1.58131    0.00050    0.05050
 10 O     1.58131    0.00050    0.05050
 11 O     0.00000   -0.00885   -0.56385
 12 O    -0.00000    0.00687    0.09991
 13 Pt   -0.00000    0.16478   -0.02734
 14 Pt    0.00000   -0.02051    0.00341
 15 O     0.00020    0.01003    0.00357
 16 O    -0.00020    0.01003    0.00357
 17 O     0.00000   -0.02127   -0.59556
 18 O    -0.00000    0.00111    0.02129
 19 Pt    0.00000   -0.03591    0.04971
 20 Pt   -0.00000    0.01278    0.09372
 21 O    -0.16347    0.27919    0.17358
 22 O     0.16347    0.27919    0.17358
 23 O     0.00000   -0.01480   -0.05058
 24 O     0.00000   -0.00046    1.15060
 25 Pt   -0.00000    0.01284   -0.37962
 26 Pt    0.00000   -0.00025   -0.43404
 27 O    -1.69148    0.01356   -0.71814
 28 O     1.69148    0.01356   -0.71814
 29 O    -0.00000    0.05134   -1.38696
 30 O     0.00000   -0.00479    1.83382
 31 Pt   -0.00000    0.01894    0.51038
 32 Pt    0.00000   -0.15986    0.56399
 33 O    -1.61425   -0.01894    0.06968
 34 O     1.61425   -0.01894    0.06968
 35 O     0.00000   -0.03255   -0.52305
 36 O    -0.00000    0.14929   -0.09144
 37 Pt    0.00000   -0.18561   -0.03011
 38 Pt    0.00000   -0.00423   -0.01082
 39 O     0.01045    0.01226    0.01554
 40 O    -0.01045    0.01226    0.01554
 41 O     0.00000    0.00242   -0.01709
 42 O    -0.00000    0.02351   -0.01248
 43 Pt   -0.00000    0.00199    0.01415
 44 Pt    0.00000   -0.04556    0.01011
 45 O    -0.12186   -0.23982    0.09565
 46 O     0.12186   -0.23982    0.09565
 47 O     0.00000   -0.02458   -0.02975
 48 O    -0.00000    0.02191    1.17253
 49 Pt    0.00000   -0.02263   -0.37942
 50 Pt   -0.00000    0.02123   -0.43565
 51 O    -1.69042   -0.01395   -0.71873
 52 O     1.69042   -0.01395   -0.71873
 53 O     0.00000   -0.01690   -1.40367
 54 O     0.00000   -0.00179    1.77656
 55 Pt    0.00000   -0.01208    0.51536
 56 Pt   -0.00000    0.14125    0.64087
 57 O    -1.61336    0.01381    0.09403
 58 O     1.61336    0.01381    0.09403
 59 O     0.00000   -0.02115   -0.51463
 60 O     0.00000   -0.14202   -0.09224
 61 Pt   -0.00000    0.00855   -0.05637
 62 Pt   -0.00000    0.01769   -0.00625
 63 O    -0.01011   -0.00768    0.00245
 64 O     0.01011   -0.00768    0.00245
 65 O     0.00000   -0.00455    0.00093
 66 O     0.00000   -0.00200    0.00048
 67 Pt   -0.00000    0.00869    0.01561
 68 Pt   -0.00000    0.13693   -0.01074
 69 O    -0.00761   -0.00385   -0.01562
 70 O     0.00761   -0.00385   -0.01562
 71 O    -0.00000    0.00692   -0.03105
 72 N     0.00000   -0.18624    0.04711
 73 N    -0.00000    0.01181    0.05642

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.852086   24.311959    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.032128   23.568537    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:19:26  -3.72   +inf  -414.188816    2      1      
iter:   2  13:21:35  -4.51  -3.92  -414.195707    3      1      
iter:   3  13:23:44  -4.96  -3.26  -414.190325    2      1      
iter:   4  13:25:53  -5.38  -4.12  -414.189502    2      1      
iter:   5  13:28:01  -5.60  -4.00  -414.189984    2      1      
iter:   6  13:30:11  -5.54  -4.44  -414.189739    2      1      
iter:   7  13:32:20  -5.78  -4.39  -414.189739    2      1      
iter:   8  13:34:30  -6.25  -4.80  -414.189622    2      1      
iter:   9  13:36:33  -6.78  -4.46  -414.189699    2      1      
iter:  10  13:38:38  -7.09  -4.67  -414.189829    2      1      
iter:  11  13:40:44  -7.36  -4.70  -414.189616    2      1      
iter:  12  13:42:48  -7.69  -4.91  -414.189711    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961910, -32.733985, 0.167118) |e|*Ang

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

Kinetic:        +18.754462
Potential:     -137.085889
External:        +0.000000
XC:            -305.606642
Entropy (-ST):   -1.558515
Local:          +10.527616
--------------------------
Free energy:   -414.968969
Extrapolated:  -414.189711

Fermi level: -6.39462

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.47145    0.15181
  0   340     -6.44991    0.14107
  0   341     -6.44834    0.14026
  0   342     -6.41759    0.12381

  1   339     -6.37105    0.19615
  1   340     -6.32137    0.14428
  1   341     -6.28412    0.11058
  1   342     -6.27656    0.10442



Forces in eV/Ang:
  0 O     0.00000   -0.01748    1.17382
  1 Pt   -0.00000    0.00139   -0.37695
  2 Pt    0.00000   -0.01906   -0.43517
  3 O    -1.68293    0.00009   -0.71890
  4 O     1.68293    0.00009   -0.71890
  5 O     0.00000   -0.01119   -1.39510
  6 O     0.00000   -0.00265    1.77007
  7 Pt   -0.00000    0.01404    0.45107
  8 Pt    0.00000   -0.04127    0.77085
  9 O    -1.58116    0.00046    0.05061
 10 O     1.58116    0.00046    0.05061
 11 O     0.00000   -0.00884   -0.56383
 12 O    -0.00000    0.00693    0.10124
 13 Pt   -0.00000    0.16795   -0.02744
 14 Pt    0.00000   -0.02052    0.00388
 15 O     0.00040    0.01012    0.00380
 16 O    -0.00040    0.01012    0.00380
 17 O     0.00000   -0.01858   -0.60704
 18 O    -0.00000    0.00106    0.02207
 19 Pt    0.00000   -0.03530    0.05188
 20 Pt   -0.00000    0.00702    0.09697
 21 O    -0.16463    0.28199    0.17461
 22 O     0.16463    0.28199    0.17461
 23 O     0.00000   -0.01466   -0.05068
 24 O     0.00000   -0.00048    1.15042
 25 Pt   -0.00000    0.01298   -0.37989
 26 Pt    0.00000   -0.00025   -0.43422
 27 O    -1.69146    0.01354   -0.71823
 28 O     1.69146    0.01354   -0.71823
 29 O    -0.00000    0.05116   -1.38737
 30 O     0.00000   -0.00477    1.83381
 31 Pt   -0.00000    0.01895    0.51075
 32 Pt    0.00000   -0.15928    0.56497
 33 O    -1.61410   -0.01890    0.06976
 34 O     1.61410   -0.01890    0.06976
 35 O     0.00000   -0.03254   -0.52294
 36 O    -0.00000    0.15144   -0.09226
 37 Pt    0.00000   -0.18951   -0.03018
 38 Pt    0.00000   -0.00431   -0.01079
 39 O     0.01062    0.01219    0.01580
 40 O    -0.01062    0.01219    0.01580
 41 O     0.00000    0.00238   -0.01470
 42 O    -0.00000    0.02392   -0.01209
 43 Pt   -0.00000    0.00150    0.01731
 44 Pt    0.00000   -0.04748    0.01288
 45 O    -0.12467   -0.24425    0.10075
 46 O     0.12467   -0.24425    0.10075
 47 O     0.00000   -0.02473   -0.02974
 48 O    -0.00000    0.02191    1.17236
 49 Pt    0.00000   -0.02263   -0.37968
 50 Pt   -0.00000    0.02123   -0.43581
 51 O    -1.69041   -0.01395   -0.71880
 52 O     1.69041   -0.01395   -0.71880
 53 O     0.00000   -0.01674   -1.40412
 54 O     0.00000   -0.00182    1.77659
 55 Pt    0.00000   -0.01207    0.51575
 56 Pt   -0.00000    0.14069    0.64187
 57 O    -1.61325    0.01380    0.09403
 58 O     1.61325    0.01380    0.09403
 59 O     0.00000   -0.02117   -0.51446
 60 O     0.00000   -0.14406   -0.09302
 61 Pt   -0.00000    0.00856   -0.05724
 62 Pt   -0.00000    0.01778   -0.00634
 63 O    -0.01004   -0.00770    0.00262
 64 O     0.01004   -0.00770    0.00262
 65 O     0.00000   -0.00439    0.00261
 66 O     0.00000   -0.00239    0.00080
 67 Pt   -0.00000    0.00854    0.01621
 68 Pt   -0.00000    0.13783   -0.00897
 69 O    -0.00790   -0.00390   -0.01595
 70 O     0.00790   -0.00390   -0.01595
 71 O    -0.00000    0.00705   -0.03100
 72 N     0.00000   -0.18306    0.08300
 73 N    -0.00000    0.01961    0.07547

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O      O   PtO           
            Pt   N                 
        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    2.852732   24.316761    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.028924   23.577698    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:01:40  -3.66   +inf  -414.190435    3      1      
iter:   2  14:03:42  -4.29  -3.47  -414.246014    3      1      
iter:   3  14:05:44  -4.62  -2.75  -414.192861    3      1      
iter:   4  14:07:46  -5.19  -3.86  -414.191293    3      1      
iter:   5  14:09:51  -5.46  -3.96  -414.191187    2      1      
iter:   6  14:11:57  -5.39  -4.46  -414.191237    2      1      
iter:   7  14:14:05  -5.78  -4.53  -414.191050    2      1      
iter:   8  14:16:14  -6.26  -4.56  -414.191093    2      1      
iter:   9  14:18:22  -6.68  -4.66  -414.190955    2      1      
iter:  10  14:20:28  -6.99  -4.83  -414.191138    2      1      
iter:  11  14:22:28  -7.38  -4.66  -414.191029    2      1      
iter:  12  14:24:27  -7.89  -4.97  -414.191070    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961941, -32.730519, 0.164533) |e|*Ang

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

Kinetic:        +18.744839
Potential:     -137.091805
External:        +0.000000
XC:            -305.591793
Entropy (-ST):   -1.558809
Local:          +10.527093
--------------------------
Free energy:   -414.970475
Extrapolated:  -414.191070

Fermi level: -6.39689

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.47365    0.15178
  0   340     -6.45208    0.14102
  0   341     -6.45052    0.14021
  0   342     -6.41998    0.12388

  1   339     -6.37325    0.19607
  1   340     -6.32356    0.14420
  1   341     -6.28644    0.11062
  1   342     -6.27876    0.10436



Forces in eV/Ang:
  0 O     0.00000   -0.01749    1.17392
  1 Pt   -0.00000    0.00123   -0.37687
  2 Pt    0.00000   -0.01907   -0.43502
  3 O    -1.68331    0.00007   -0.71880
  4 O     1.68331    0.00007   -0.71880
  5 O     0.00000   -0.01120   -1.39453
  6 O     0.00000   -0.00263    1.76879
  7 Pt   -0.00000    0.01411    0.45023
  8 Pt    0.00000   -0.04120    0.76951
  9 O    -1.58124    0.00051    0.05035
 10 O     1.58124    0.00051    0.05035
 11 O     0.00000   -0.00882   -0.56420
 12 O    -0.00000    0.00708    0.10178
 13 Pt   -0.00000    0.17089   -0.02813
 14 Pt    0.00000   -0.02057    0.00343
 15 O     0.00038    0.01007    0.00359
 16 O    -0.00038    0.01007    0.00359
 17 O     0.00000   -0.01610   -0.61822
 18 O    -0.00000    0.00103    0.02163
 19 Pt    0.00000   -0.03560    0.05288
 20 Pt   -0.00000    0.00158    0.09905
 21 O    -0.16616    0.28507    0.17531
 22 O     0.16616    0.28507    0.17531
 23 O     0.00000   -0.01469   -0.05155
 24 O     0.00000   -0.00048    1.15051
 25 Pt   -0.00000    0.01314   -0.37979
 26 Pt    0.00000   -0.00024   -0.43413
 27 O    -1.69183    0.01354   -0.71813
 28 O     1.69183    0.01354   -0.71813
 29 O    -0.00000    0.05098   -1.38713
 30 O     0.00000   -0.00480    1.83251
 31 Pt   -0.00000    0.01890    0.50991
 32 Pt    0.00000   -0.15878    0.56468
 33 O    -1.61418   -0.01895    0.06952
 34 O     1.61418   -0.01895    0.06952
 35 O     0.00000   -0.03257   -0.52334
 36 O    -0.00000    0.15325   -0.09338
 37 Pt    0.00000   -0.19326   -0.03098
 38 Pt    0.00000   -0.00413   -0.01113
 39 O     0.01062    0.01221    0.01559
 40 O    -0.01062    0.01221    0.01559
 41 O     0.00000    0.00251   -0.01711
 42 O    -0.00000    0.02399   -0.01255
 43 Pt   -0.00000    0.00181    0.01893
 44 Pt    0.00000   -0.04948    0.01283
 45 O    -0.12774   -0.24901    0.10463
 46 O     0.12774   -0.24901    0.10463
 47 O     0.00000   -0.02457   -0.03032
 48 O    -0.00000    0.02191    1.17245
 49 Pt    0.00000   -0.02262   -0.37959
 50 Pt   -0.00000    0.02123   -0.43574
 51 O    -1.69079   -0.01394   -0.71869
 52 O     1.69079   -0.01394   -0.71869
 53 O     0.00000   -0.01660   -1.40390
 54 O     0.00000   -0.00181    1.77522
 55 Pt    0.00000   -0.01209    0.51495
 56 Pt   -0.00000    0.14020    0.64155
 57 O    -1.61333    0.01378    0.09366
 58 O     1.61333    0.01378    0.09366
 59 O     0.00000   -0.02116   -0.51489
 60 O     0.00000   -0.14584   -0.09399
 61 Pt   -0.00000    0.00871   -0.05893
 62 Pt   -0.00000    0.01767   -0.00656
 63 O    -0.01028   -0.00767    0.00250
 64 O     0.01028   -0.00767    0.00250
 65 O     0.00000   -0.00438   -0.00017
 66 O     0.00000   -0.00249    0.00030
 67 Pt   -0.00000    0.00853    0.01600
 68 Pt   -0.00000    0.13880   -0.00914
 69 O    -0.00753   -0.00384   -0.01645
 70 O     0.00753   -0.00384   -0.01645
 71 O    -0.00000    0.00698   -0.03135
 72 N     0.00000   -0.17840    0.09473
 73 N    -0.00000    0.02006    0.13478

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O          Pt            
            Pt   N     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    2.853153   24.322401    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.025121   23.588057    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:44:06  -3.55   +inf  -414.193228    3      1      
iter:   2  14:46:12  -4.23  -3.43  -414.243009    3      1      
iter:   3  14:48:17  -4.56  -2.75  -414.194470    2      1      
iter:   4  14:50:23  -5.16  -3.79  -414.192829    3      1      
iter:   5  14:52:28  -5.50  -3.97  -414.193093    2      1      
iter:   6  14:54:34  -5.37  -4.21  -414.192801    2      1      
iter:   7  14:56:40  -5.59  -4.21  -414.192768    2      1      
iter:   8  14:58:44  -6.11  -4.70  -414.192753    2      1      
iter:   9  15:00:47  -6.63  -4.39  -414.192651    2      1      
iter:  10  15:02:51  -7.04  -4.62  -414.192877    2      1      
iter:  11  15:04:55  -7.27  -4.76  -414.192630    2      1      
iter:  12  15:06:56  -7.45  -4.89  -414.192728    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961958, -32.726786, 0.161356) |e|*Ang

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

Kinetic:        +18.703483
Potential:     -137.071430
External:        +0.000000
XC:            -305.571916
Entropy (-ST):   -1.559086
Local:          +10.526677
--------------------------
Free energy:   -414.972271
Extrapolated:  -414.192728

Fermi level: -6.39933

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.47564    0.15156
  0   340     -6.45462    0.14107
  0   341     -6.45308    0.14028
  0   342     -6.42239    0.12386

  1   339     -6.37569    0.19608
  1   340     -6.32606    0.14427
  1   341     -6.28891    0.11065
  1   342     -6.28103    0.10423



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17378
  1 Pt   -0.00000    0.00110   -0.37644
  2 Pt    0.00000   -0.01906   -0.43475
  3 O    -1.68262    0.00010   -0.71875
  4 O     1.68262    0.00010   -0.71875
  5 O     0.00000   -0.01121   -1.39427
  6 O     0.00000   -0.00265    1.77129
  7 Pt   -0.00000    0.01403    0.45163
  8 Pt    0.00000   -0.04119    0.77010
  9 O    -1.58112    0.00040    0.05099
 10 O     1.58112    0.00040    0.05099
 11 O     0.00000   -0.00885   -0.56356
 12 O    -0.00000    0.00716    0.10424
 13 Pt   -0.00000    0.17448   -0.02747
 14 Pt    0.00000   -0.02056    0.00465
 15 O     0.00040    0.01012    0.00408
 16 O    -0.00040    0.01012    0.00408
 17 O     0.00000   -0.01324   -0.63228
 18 O    -0.00000    0.00100    0.02242
 19 Pt    0.00000   -0.03500    0.05491
 20 Pt    0.00000   -0.00473    0.09973
 21 O    -0.16764    0.28816    0.17666
 22 O     0.16764    0.28816    0.17666
 23 O     0.00000   -0.01457   -0.05282
 24 O     0.00000   -0.00053    1.15033
 25 Pt   -0.00000    0.01329   -0.37936
 26 Pt    0.00000   -0.00026   -0.43386
 27 O    -1.69115    0.01353   -0.71807
 28 O     1.69115    0.01353   -0.71807
 29 O    -0.00000    0.05078   -1.38717
 30 O     0.00000   -0.00476    1.83519
 31 Pt   -0.00000    0.01896    0.51130
 32 Pt    0.00000   -0.15804    0.56622
 33 O    -1.61406   -0.01887    0.07012
 34 O     1.61406   -0.01887    0.07012
 35 O     0.00000   -0.03252   -0.52260
 36 O    -0.00000    0.15600   -0.09374
 37 Pt    0.00000   -0.19748   -0.03035
 38 Pt    0.00000   -0.00428   -0.01036
 39 O     0.01066    0.01217    0.01615
 40 O    -0.01066    0.01217    0.01615
 41 O     0.00000    0.00248   -0.01304
 42 O    -0.00000    0.02427   -0.01221
 43 Pt   -0.00000    0.00139    0.02186
 44 Pt    0.00000   -0.05185    0.01528
 45 O    -0.13112   -0.25405    0.11083
 46 O     0.13112   -0.25405    0.11083
 47 O     0.00000   -0.02477   -0.03104
 48 O    -0.00000    0.02195    1.17227
 49 Pt    0.00000   -0.02263   -0.37906
 50 Pt   -0.00000    0.02124   -0.43546
 51 O    -1.69012   -0.01395   -0.71862
 52 O     1.69012   -0.01395   -0.71862
 53 O     0.00000   -0.01641   -1.40397
 54 O     0.00000   -0.00183    1.77801
 55 Pt    0.00000   -0.01206    0.51641
 56 Pt   -0.00000    0.13954    0.64311
 57 O    -1.61328    0.01380    0.09416
 58 O     1.61328    0.01380    0.09416
 59 O     0.00000   -0.02118   -0.51404
 60 O     0.00000   -0.14848   -0.09434
 61 Pt   -0.00000    0.00866   -0.05890
 62 Pt   -0.00000    0.01782   -0.00589
 63 O    -0.01040   -0.00770    0.00290
 64 O     0.01040   -0.00770    0.00290
 65 O     0.00000   -0.00428    0.00328
 66 O     0.00000   -0.00276    0.00056
 67 Pt   -0.00000    0.00836    0.01659
 68 Pt   -0.00000    0.14022   -0.00757
 69 O    -0.00794   -0.00392   -0.01663
 70 O     0.00794   -0.00392   -0.01663
 71 O    -0.00000    0.00718   -0.03198
 72 N     0.00000   -0.19687    0.07053
 73 N    -0.00000    0.03770    0.11851

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O          Pt            
            Pt   N     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    2.853402   24.328739    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.021607   23.598891    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:26:10  -3.51   +inf  -414.198947    2      1      
iter:   2  15:28:14  -3.89  -3.16  -414.432427    3      1      
iter:   3  15:30:19  -4.18  -2.42  -414.195554    2      1      
iter:   4  15:32:24  -4.86  -3.74  -414.193834    3      1      
iter:   5  15:34:30  -5.23  -3.95  -414.194380    3      1      
iter:   6  15:36:35  -5.28  -4.22  -414.193835    2      1      
iter:   7  15:38:39  -5.50  -4.35  -414.193860    2      1      
iter:   8  15:40:44  -6.09  -4.46  -414.193872    2      1      
iter:   9  15:42:50  -6.50  -4.69  -414.193746    2      1      
iter:  10  15:44:56  -6.84  -4.35  -414.194123    2      1      
iter:  11  15:47:01  -7.13  -4.65  -414.193805    2      1      
iter:  12  15:49:06  -7.37  -4.77  -414.193923    2      1      
iter:  13  15:51:09  -7.67  -5.08  -414.193921    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961982, -32.722805, 0.158210) |e|*Ang

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

Kinetic:        +18.725452
Potential:     -137.106267
External:        +0.000000
XC:            -305.559138
Entropy (-ST):   -1.559307
Local:          +10.525685
--------------------------
Free energy:   -414.973575
Extrapolated:  -414.193921

Fermi level: -6.40206

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.47822    0.15149
  0   340     -6.45729    0.14104
  0   341     -6.45576    0.14025
  0   342     -6.42522    0.12392

  1   339     -6.37832    0.19597
  1   340     -6.32876    0.14424
  1   341     -6.29169    0.11069
  1   342     -6.28365    0.10414



Forces in eV/Ang:
  0 O     0.00000   -0.01749    1.17380
  1 Pt   -0.00000    0.00092   -0.37706
  2 Pt    0.00000   -0.01909   -0.43525
  3 O    -1.68294    0.00007   -0.71898
  4 O     1.68294    0.00007   -0.71898
  5 O     0.00000   -0.01119   -1.39438
  6 O     0.00000   -0.00260    1.76977
  7 Pt   -0.00000    0.01415    0.45054
  8 Pt    0.00000   -0.04108    0.76861
  9 O    -1.58105    0.00055    0.05052
 10 O     1.58105    0.00055    0.05052
 11 O     0.00000   -0.00880   -0.56465
 12 O    -0.00000    0.00734    0.10379
 13 Pt   -0.00000    0.17750   -0.02860
 14 Pt    0.00000   -0.02062    0.00374
 15 O     0.00033    0.01008    0.00362
 16 O    -0.00033    0.01008    0.00362
 17 O     0.00000   -0.01080   -0.64302
 18 O    -0.00000    0.00095    0.02151
 19 Pt    0.00000   -0.03538    0.05637
 20 Pt    0.00000   -0.01099    0.10028
 21 O    -0.16982    0.29214    0.17727
 22 O     0.16982    0.29214    0.17727
 23 O     0.00000   -0.01502   -0.05413
 24 O     0.00000   -0.00048    1.15032
 25 Pt   -0.00000    0.01346   -0.37993
 26 Pt    0.00000   -0.00021   -0.43447
 27 O    -1.69145    0.01353   -0.71829
 28 O     1.69145    0.01353   -0.71829
 29 O    -0.00000    0.05056   -1.38780
 30 O     0.00000   -0.00488    1.83352
 31 Pt   -0.00000    0.01889    0.51024
 32 Pt    0.00000   -0.15763    0.56607
 33 O    -1.61400   -0.01898    0.06966
 34 O     1.61400   -0.01898    0.06966
 35 O     0.00000   -0.03259   -0.52362
 36 O    -0.00000    0.15781   -0.09564
 37 Pt    0.00000   -0.20142   -0.03172
 38 Pt    0.00000   -0.00395   -0.01115
 39 O     0.01058    0.01219    0.01568
 40 O    -0.01058    0.01219    0.01568
 41 O     0.00000    0.00266   -0.01497
 42 O    -0.00000    0.02443   -0.01302
 43 Pt   -0.00000    0.00179    0.02320
 44 Pt    0.00000   -0.05316    0.01355
 45 O    -0.13467   -0.25979    0.11351
 46 O     0.13467   -0.25979    0.11351
 47 O     0.00000   -0.02412   -0.03197
 48 O    -0.00000    0.02192    1.17227
 49 Pt    0.00000   -0.02261   -0.37976
 50 Pt   -0.00000    0.02122   -0.43612
 51 O    -1.69047   -0.01392   -0.71887
 52 O     1.69047   -0.01392   -0.71887
 53 O     0.00000   -0.01624   -1.40464
 54 O     0.00000   -0.00175    1.77612
 55 Pt    0.00000   -0.01211    0.51538
 56 Pt   -0.00000    0.13910    0.64284
 57 O    -1.61316    0.01375    0.09355
 58 O     1.61316    0.01375    0.09355
 59 O     0.00000   -0.02116   -0.51516
 60 O     0.00000   -0.15029   -0.09600
 61 Pt   -0.00000    0.00891   -0.06122
 62 Pt   -0.00000    0.01757   -0.00646
 63 O    -0.01076   -0.00767    0.00258
 64 O     0.01076   -0.00767    0.00258
 65 O     0.00000   -0.00427    0.00100
 66 O     0.00000   -0.00293   -0.00029
 67 Pt   -0.00000    0.00839    0.01674
 68 Pt   -0.00000    0.14100   -0.00765
 69 O    -0.00792   -0.00381   -0.01746
 70 O     0.00792   -0.00381   -0.01746
 71 O    -0.00000    0.00693   -0.03239
 72 N     0.00000   -0.17945    0.04904
 73 N    -0.00000    0.02613    0.07154

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O          Pt            
            Pt   N     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    2.853733   24.334717    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.018760   23.609148    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:08:20  -3.57   +inf  -414.194237    2      1      
iter:   2  16:10:27  -4.29  -3.51  -414.239795    3      1      
iter:   3  16:12:33  -4.66  -2.79  -414.196606    3      1      
iter:   4  16:14:37  -5.22  -3.89  -414.195110    3      1      
iter:   5  16:16:43  -5.42  -3.97  -414.195065    2      1      
iter:   6  16:18:47  -5.49  -4.35  -414.195221    2      1      
iter:   7  16:20:52  -5.70  -4.51  -414.194977    2      1      
iter:   8  16:22:57  -6.23  -4.60  -414.195058    2      1      
iter:   9  16:25:01  -6.75  -4.70  -414.194862    2      1      
iter:  10  16:27:05  -7.01  -4.74  -414.195258    2      1      
iter:  11  16:29:11  -7.13  -4.33  -414.195016    2      1      
iter:  12  16:31:17  -7.78  -5.13  -414.195008    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962013, -32.719270, 0.155404) |e|*Ang

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

Kinetic:        +18.759213
Potential:     -137.145284
External:        +0.000000
XC:            -305.554926
Entropy (-ST):   -1.559651
Local:          +10.525815
--------------------------
Free energy:   -414.974833
Extrapolated:  -414.195008

Fermi level: -6.40440

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.48039    0.15141
  0   340     -6.45956    0.14100
  0   341     -6.45804    0.14021
  0   342     -6.42764    0.12396

  1   339     -6.38063    0.19593
  1   340     -6.33103    0.14416
  1   341     -6.29406    0.11071
  1   342     -6.28592    0.10408



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17397
  1 Pt   -0.00000    0.00080   -0.37650
  2 Pt    0.00000   -0.01907   -0.43483
  3 O    -1.68311    0.00010   -0.71872
  4 O     1.68311    0.00010   -0.71872
  5 O     0.00000   -0.01122   -1.39368
  6 O     0.00000   -0.00264    1.76948
  7 Pt   -0.00000    0.01409    0.45071
  8 Pt    0.00000   -0.04111    0.76841
  9 O    -1.58122    0.00042    0.05069
 10 O     1.58122    0.00042    0.05069
 11 O     0.00000   -0.00883   -0.56450
 12 O    -0.00000    0.00739    0.10575
 13 Pt   -0.00000    0.18089   -0.02942
 14 Pt    0.00000   -0.02061    0.00386
 15 O     0.00040    0.01015    0.00354
 16 O    -0.00040    0.01015    0.00354
 17 O     0.00000   -0.00867   -0.65865
 18 O    -0.00000    0.00091    0.02231
 19 Pt    0.00000   -0.03482    0.05739
 20 Pt    0.00000   -0.01509    0.10262
 21 O    -0.17047    0.29443    0.17897
 22 O     0.17047    0.29443    0.17897
 23 O     0.00000   -0.01459   -0.05541
 24 O     0.00000   -0.00055    1.15046
 25 Pt   -0.00000    0.01360   -0.37940
 26 Pt    0.00000   -0.00025   -0.43402
 27 O    -1.69163    0.01353   -0.71804
 28 O     1.69163    0.01353   -0.71804
 29 O    -0.00000    0.05042   -1.38728
 30 O     0.00000   -0.00477    1.83345
 31 Pt   -0.00000    0.01892    0.51038
 32 Pt    0.00000   -0.15688    0.56662
 33 O    -1.61414   -0.01889    0.06982
 34 O     1.61414   -0.01889    0.06982
 35 O     0.00000   -0.03256   -0.52353
 36 O    -0.00000    0.16008   -0.09628
 37 Pt    0.00000   -0.20528   -0.03263
 38 Pt    0.00000   -0.00415   -0.01124
 39 O     0.01069    0.01214    0.01562
 40 O    -0.01069    0.01214    0.01562
 41 O     0.00000    0.00265   -0.01511
 42 O    -0.00000    0.02472   -0.01266
 43 Pt   -0.00000    0.00144    0.02579
 44 Pt    0.00000   -0.05547    0.01639
 45 O    -0.13735   -0.26381    0.12027
 46 O     0.13735   -0.26381    0.12027
 47 O     0.00000   -0.02458   -0.03237
 48 O    -0.00000    0.02196    1.17240
 49 Pt    0.00000   -0.02262   -0.37906
 50 Pt   -0.00000    0.02123   -0.43563
 51 O    -1.69064   -0.01394   -0.71858
 52 O     1.69064   -0.01394   -0.71858
 53 O     0.00000   -0.01611   -1.40409
 54 O     0.00000   -0.00183    1.77623
 55 Pt    0.00000   -0.01207    0.51551
 56 Pt   -0.00000    0.13845    0.64336
 57 O    -1.61343    0.01379    0.09355
 58 O     1.61343    0.01379    0.09355
 59 O     0.00000   -0.02117   -0.51502
 60 O     0.00000   -0.15244   -0.09668
 61 Pt   -0.00000    0.00883   -0.06245
 62 Pt   -0.00000    0.01778   -0.00668
 63 O    -0.01076   -0.00771    0.00247
 64 O     0.01076   -0.00771    0.00247
 65 O     0.00000   -0.00417    0.00049
 66 O     0.00000   -0.00319    0.00007
 67 Pt   -0.00000    0.00820    0.01661
 68 Pt   -0.00000    0.14200   -0.00689
 69 O    -0.00766   -0.00392   -0.01717
 70 O     0.00766   -0.00392   -0.01717
 71 O    -0.00000    0.00706   -0.03293
 72 N     0.00000   -0.13509    0.10070
 73 N     0.00000   -0.00834    0.06844

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O          Pt            
            Pt   N     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    2.853930   24.342628    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.014939   23.621654    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:57:52  -3.39   +inf  -414.196268    3      1      
iter:   2  17:00:01  -4.28  -3.90  -414.199174    3      1      
iter:   3  17:02:08  -4.84  -3.82  -414.197399    3      1      
iter:   4  17:04:16  -5.22  -4.08  -414.198039    2      1      
iter:   5  17:06:23  -5.44  -3.63  -414.198110    2      1      
iter:   6  17:08:30  -5.27  -3.94  -414.197464    2      1      
iter:   7  17:10:38  -5.63  -4.19  -414.197472    2      1      
iter:   8  17:12:46  -6.06  -4.68  -414.197349    2      1      
iter:   9  17:14:54  -6.50  -4.59  -414.197642    2      1      
iter:  10  17:17:02  -6.87  -4.59  -414.197350    2      1      
iter:  11  17:19:09  -7.14  -4.63  -414.197369    2      1      
iter:  12  17:21:09  -7.61  -4.67  -414.197455    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962054, -32.715040, 0.151742) |e|*Ang

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

Kinetic:        +18.691537
Potential:     -137.102810
External:        +0.000000
XC:            -305.530662
Entropy (-ST):   -1.559861
Local:          +10.524410
--------------------------
Free energy:   -414.977386
Extrapolated:  -414.197455

Fermi level: -6.40729

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.48275    0.15115
  0   340     -6.46257    0.14106
  0   341     -6.46108    0.14030
  0   342     -6.43048    0.12394

  1   339     -6.38349    0.19590
  1   340     -6.33401    0.14426
  1   341     -6.29697    0.11073
  1   342     -6.28860    0.10392



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17374
  1 Pt   -0.00000    0.00067   -0.37632
  2 Pt    0.00000   -0.01906   -0.43469
  3 O    -1.68247    0.00013   -0.71879
  4 O     1.68247    0.00013   -0.71879
  5 O     0.00000   -0.01123   -1.39362
  6 O     0.00000   -0.00267    1.77167
  7 Pt   -0.00000    0.01414    0.45172
  8 Pt    0.00000   -0.04111    0.76841
  9 O    -1.58105    0.00043    0.05101
 10 O     1.58105    0.00043    0.05101
 11 O     0.00000   -0.00884   -0.56380
 12 O    -0.00000    0.00753    0.10751
 13 Pt   -0.00000    0.18477   -0.02813
 14 Pt    0.00000   -0.02057    0.00533
 15 O     0.00034    0.01033    0.00412
 16 O    -0.00034    0.01033    0.00412
 17 O     0.00000   -0.00619   -0.67141
 18 O    -0.00000    0.00089    0.02281
 19 Pt    0.00000   -0.03432    0.06049
 20 Pt    0.00000   -0.01966    0.10748
 21 O    -0.17233    0.29837    0.18070
 22 O     0.17233    0.29837    0.18070
 23 O     0.00000   -0.01406   -0.05595
 24 O     0.00000   -0.00057    1.15018
 25 Pt   -0.00000    0.01375   -0.37923
 26 Pt    0.00000   -0.00027   -0.43392
 27 O    -1.69101    0.01351   -0.71811
 28 O     1.69101    0.01351   -0.71811
 29 O    -0.00000    0.05023   -1.38760
 30 O     0.00000   -0.00465    1.83570
 31 Pt   -0.00000    0.01889    0.51146
 32 Pt    0.00000   -0.15610    0.56779
 33 O    -1.61395   -0.01891    0.07016
 34 O     1.61395   -0.01891    0.07016
 35 O     0.00000   -0.03253   -0.52280
 36 O    -0.00000    0.16272   -0.09693
 37 Pt    0.00000   -0.20982   -0.03148
 38 Pt    0.00000   -0.00428   -0.01002
 39 O     0.01063    0.01201    0.01624
 40 O    -0.01063    0.01201    0.01624
 41 O     0.00000    0.00290   -0.01039
 42 O    -0.00000    0.02506   -0.01257
 43 Pt   -0.00000    0.00097    0.03066
 44 Pt    0.00000   -0.05833    0.02075
 45 O    -0.14163   -0.26993    0.12789
 46 O     0.14163   -0.26993    0.12789
 47 O     0.00000   -0.02495   -0.03265
 48 O    -0.00000    0.02197    1.17213
 49 Pt    0.00000   -0.02263   -0.37884
 50 Pt   -0.00000    0.02124   -0.43550
 51 O    -1.69001   -0.01395   -0.71863
 52 O     1.69001   -0.01395   -0.71863
 53 O     0.00000   -0.01593   -1.40439
 54 O     0.00000   -0.00191    1.77854
 55 Pt    0.00000   -0.01209    0.51652
 56 Pt   -0.00000    0.13775    0.64448
 57 O    -1.61328    0.01378    0.09374
 58 O     1.61328    0.01378    0.09374
 59 O     0.00000   -0.02120   -0.51431
 60 O     0.00000   -0.15500   -0.09717
 61 Pt   -0.00000    0.00886   -0.06186
 62 Pt   -0.00000    0.01788   -0.00537
 63 O    -0.01082   -0.00776    0.00308
 64 O     0.01082   -0.00776    0.00308
 65 O     0.00000   -0.00425    0.00458
 66 O     0.00000   -0.00354    0.00008
 67 Pt   -0.00000    0.00813    0.01767
 68 Pt   -0.00000    0.14317   -0.00490
 69 O    -0.00823   -0.00394   -0.01739
 70 O     0.00823   -0.00394   -0.01739
 71 O    -0.00000    0.00716   -0.03335
 72 N     0.00000   -0.14916    0.17647
 73 N     0.00000   -0.00140    0.06237

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O          Pt            
            Pt   N     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    2.853919   24.351455    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.011686   23.634380    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:42:14  -3.36   +inf  -414.219038    3      1      
iter:   2  17:44:21  -3.49  -2.91  -414.925619    3      1      
iter:   3  17:46:28  -3.82  -2.18  -414.204472    2      1      
iter:   4  17:48:35  -4.49  -3.44  -414.200497    3      1      
iter:   5  17:50:42  -4.88  -3.91  -414.201106    3      1      
iter:   6  17:52:49  -5.11  -4.01  -414.199617    2      1      
iter:   7  17:54:56  -5.37  -4.22  -414.199809    2      1      
iter:   8  17:57:03  -5.83  -4.29  -414.199924    2      1      
iter:   9  17:59:11  -6.26  -4.61  -414.199774    2      1      
iter:  10  18:01:17  -6.88  -4.28  -414.200142    2      1      
iter:  11  18:03:19  -6.92  -4.37  -414.199815    2      1      
iter:  12  18:05:20  -7.18  -4.82  -414.200005    2      1      
iter:  13  18:07:21  -7.34  -4.83  -414.199956    2      1      
iter:  14  18:09:22  -7.65  -4.88  -414.199997    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962054, -32.710657, 0.148173) |e|*Ang

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

Kinetic:        +18.724638
Potential:     -137.150288
External:        +0.000000
XC:            -305.515104
Entropy (-ST):   -1.560049
Local:          +10.520781
--------------------------
Free energy:   -414.980022
Extrapolated:  -414.199997

Fermi level: -6.41038

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.48559    0.15103
  0   340     -6.46564    0.14105
  0   341     -6.46417    0.14030
  0   342     -6.43364    0.12398

  1   339     -6.38647    0.19578
  1   340     -6.33710    0.14426
  1   341     -6.30010    0.11077
  1   342     -6.29155    0.10381



Forces in eV/Ang:
  0 O     0.00000   -0.01749    1.17370
  1 Pt   -0.00000    0.00049   -0.37693
  2 Pt    0.00000   -0.01910   -0.43546
  3 O    -1.68256    0.00007   -0.71902
  4 O     1.68256    0.00007   -0.71902
  5 O     0.00000   -0.01124   -1.39359
  6 O     0.00000   -0.00265    1.77121
  7 Pt   -0.00000    0.01425    0.45137
  8 Pt    0.00000   -0.04104    0.76748
  9 O    -1.58078    0.00057    0.05112
 10 O     1.58078    0.00057    0.05112
 11 O     0.00000   -0.00882   -0.56446
 12 O    -0.00000    0.00772    0.10787
 13 Pt   -0.00000    0.18798   -0.02867
 14 Pt    0.00000   -0.02057    0.00472
 15 O     0.00029    0.01028    0.00412
 16 O    -0.00029    0.01028    0.00412
 17 O     0.00000   -0.00398   -0.68366
 18 O    -0.00000    0.00093    0.02182
 19 Pt    0.00000   -0.03447    0.06273
 20 Pt    0.00000   -0.02726    0.10084
 21 O    -0.17509    0.30254    0.18112
 22 O     0.17509    0.30254    0.18112
 23 O     0.00000   -0.01533   -0.05796
 24 O     0.00000   -0.00052    1.15014
 25 Pt   -0.00000    0.01393   -0.37980
 26 Pt    0.00000   -0.00017   -0.43481
 27 O    -1.69107    0.01353   -0.71835
 28 O     1.69107    0.01353   -0.71835
 29 O    -0.00000    0.05000   -1.38817
 30 O     0.00000   -0.00477    1.83498
 31 Pt   -0.00000    0.01882    0.51116
 32 Pt    0.00000   -0.15566    0.56831
 33 O    -1.61371   -0.01902    0.07025
 34 O     1.61371   -0.01902    0.07025
 35 O     0.00000   -0.03257   -0.52329
 36 O    -0.00000    0.16499   -0.09834
 37 Pt    0.00000   -0.21388   -0.03220
 38 Pt    0.00000   -0.00403   -0.01083
 39 O     0.01054    0.01202    0.01626
 40 O    -0.01054    0.01202    0.01626
 41 O     0.00000    0.00292   -0.01103
 42 O    -0.00000    0.02516   -0.01364
 43 Pt   -0.00000    0.00118    0.03070
 44 Pt    0.00000   -0.05819    0.01494
 45 O    -0.14471   -0.27558    0.12780
 46 O     0.14471   -0.27558    0.12780
 47 O     0.00000   -0.02378   -0.03421
 48 O    -0.00000    0.02196    1.17211
 49 Pt    0.00000   -0.02262   -0.37952
 50 Pt   -0.00000    0.02118   -0.43647
 51 O    -1.69016   -0.01392   -0.71885
 52 O     1.69016   -0.01392   -0.71885
 53 O     0.00000   -0.01573   -1.40496
 54 O     0.00000   -0.00182    1.77753
 55 Pt    0.00000   -0.01213    0.51629
 56 Pt   -0.00000    0.13728    0.64486
 57 O    -1.61294    0.01375    0.09374
 58 O     1.61294    0.01375    0.09374
 59 O     0.00000   -0.02117   -0.51484
 60 O     0.00000   -0.15733   -0.09833
 61 Pt   -0.00000    0.00916   -0.06371
 62 Pt   -0.00000    0.01764   -0.00596
 63 O    -0.01113   -0.00773    0.00304
 64 O     0.01113   -0.00773    0.00304
 65 O     0.00000   -0.00415    0.00377
 66 O     0.00000   -0.00371   -0.00095
 67 Pt   -0.00000    0.00824    0.01844
 68 Pt   -0.00000    0.14410   -0.00479
 69 O    -0.00884   -0.00376   -0.01862
 70 O     0.00884   -0.00376   -0.01862
 71 O    -0.00000    0.00714   -0.03379
 72 N     0.00000   -0.16068    0.17451
 73 N     0.00000   -0.05303    0.09219

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O          Pt            
            Pt   N     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    2.853708   24.360454    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.007585   23.648336    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:29:12  -3.29   +inf  -414.222627    3      1      
iter:   2  18:31:16  -3.44  -2.89  -414.982610    3      1      
iter:   3  18:33:19  -3.76  -2.17  -414.208663    2      1      
iter:   4  18:35:23  -4.43  -3.46  -414.203397    3      1      
iter:   5  18:37:24  -4.88  -3.79  -414.203576    3      1      
iter:   6  18:39:24  -5.04  -4.14  -414.202649    2      1      
iter:   7  18:41:26  -5.31  -4.19  -414.202670    2      1      
iter:   8  18:43:29  -5.72  -4.31  -414.202783    2      1      
iter:   9  18:45:33  -6.26  -4.61  -414.203050    2      1      
iter:  10  18:47:36  -6.52  -4.36  -414.202940    2      1      
iter:  11  18:49:38  -6.73  -4.02  -414.202509    2      1      
iter:  12  18:51:40  -6.90  -4.56  -414.202776    2      1      
iter:  13  18:53:42  -7.13  -4.78  -414.202786    2      1      
iter:  14  18:55:42  -7.46  -5.05  -414.202808    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962098, -32.706008, 0.144474) |e|*Ang

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

Kinetic:        +18.711893
Potential:     -137.154456
External:        +0.000000
XC:            -305.499213
Entropy (-ST):   -1.560427
Local:          +10.519182
--------------------------
Free energy:   -414.983021
Extrapolated:  -414.202808

Fermi level: -6.41345

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.48844    0.15093
  0   340     -6.46862    0.14101
  0   341     -6.46717    0.14026
  0   342     -6.43682    0.12404

  1   339     -6.38950    0.19574
  1   340     -6.34010    0.14419
  1   341     -6.30321    0.11080
  1   342     -6.29452    0.10373



Forces in eV/Ang:
  0 O     0.00000   -0.01749    1.17376
  1 Pt   -0.00000    0.00035   -0.37671
  2 Pt    0.00000   -0.01911   -0.43509
  3 O    -1.68275    0.00006   -0.71905
  4 O     1.68275    0.00006   -0.71905
  5 O     0.00000   -0.01125   -1.39324
  6 O     0.00000   -0.00266    1.77070
  7 Pt   -0.00000    0.01425    0.45108
  8 Pt    0.00000   -0.04101    0.76673
  9 O    -1.58100    0.00054    0.05081
 10 O     1.58100    0.00054    0.05081
 11 O     0.00000   -0.00883   -0.56488
 12 O    -0.00000    0.00775    0.10900
 13 Pt   -0.00000    0.19227   -0.02979
 14 Pt    0.00000   -0.02057    0.00432
 15 O     0.00027    0.01037    0.00371
 16 O    -0.00027    0.01037    0.00371
 17 O     0.00000   -0.00165   -0.70054
 18 O    -0.00000    0.00094    0.02208
 19 Pt    0.00000   -0.03415    0.06454
 20 Pt    0.00000   -0.03204    0.10411
 21 O    -0.17656    0.30616    0.18301
 22 O     0.17656    0.30616    0.18301
 23 O     0.00000   -0.01500   -0.05889
 24 O     0.00000   -0.00054    1.15015
 25 Pt   -0.00000    0.01409   -0.37958
 26 Pt    0.00000   -0.00014   -0.43453
 27 O    -1.69125    0.01354   -0.71838
 28 O     1.69125    0.01354   -0.71838
 29 O    -0.00000    0.04979   -1.38822
 30 O     0.00000   -0.00477    1.83440
 31 Pt   -0.00000    0.01881    0.51086
 32 Pt    0.00000   -0.15494    0.56881
 33 O    -1.61393   -0.01899    0.06991
 34 O     1.61393   -0.01899    0.06991
 35 O     0.00000   -0.03256   -0.52369
 36 O    -0.00000    0.16779   -0.09999
 37 Pt    0.00000   -0.21870   -0.03337
 38 Pt    0.00000   -0.00396   -0.01129
 39 O     0.01056    0.01194    0.01589
 40 O    -0.01056    0.01194    0.01589
 41 O     0.00000    0.00303   -0.01177
 42 O    -0.00000    0.02561   -0.01369
 43 Pt   -0.00000    0.00099    0.03402
 44 Pt    0.00000   -0.06074    0.01765
 45 O    -0.14845   -0.28136    0.13541
 46 O     0.14845   -0.28136    0.13541
 47 O     0.00000   -0.02383   -0.03467
 48 O    -0.00000    0.02197    1.17212
 49 Pt    0.00000   -0.02263   -0.37927
 50 Pt   -0.00000    0.02117   -0.43619
 51 O    -1.69039   -0.01392   -0.71888
 52 O     1.69039   -0.01392   -0.71888
 53 O     0.00000   -0.01554   -1.40501
 54 O     0.00000   -0.00181    1.77693
 55 Pt    0.00000   -0.01212    0.51603
 56 Pt   -0.00000    0.13662    0.64533
 57 O    -1.61320    0.01374    0.09329
 58 O     1.61320    0.01374    0.09329
 59 O     0.00000   -0.02117   -0.51518
 60 O     0.00000   -0.15996   -0.09993
 61 Pt   -0.00000    0.00911   -0.06580
 62 Pt   -0.00000    0.01759   -0.00652
 63 O    -0.01136   -0.00776    0.00267
 64 O     0.01136   -0.00776    0.00267
 65 O     0.00000   -0.00410    0.00241
 66 O     0.00000   -0.00419   -0.00105
 67 Pt   -0.00000    0.00810    0.01829
 68 Pt   -0.00000    0.14533   -0.00389
 69 O    -0.00843   -0.00386   -0.01859
 70 O     0.00843   -0.00386   -0.01859
 71 O    -0.00000    0.00702   -0.03430
 72 N     0.00000   -0.10863    0.12641
 73 N     0.00000   -0.04714    0.03330

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
          O          Pt            
            Pt   N     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    2.853952   24.371201    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.003837   23.663192    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:11:16  -3.23   +inf  -414.218519    3      1      
iter:   2  19:13:20  -3.54  -2.96  -414.789196    3      1      
iter:   3  19:15:26  -3.87  -2.23  -414.209807    2      1      
iter:   4  19:17:33  -4.54  -3.53  -414.205338    3      1      
iter:   5  19:19:40  -4.93  -3.72  -414.205327    3      1      
iter:   6  19:21:46  -5.07  -4.12  -414.204685    3      1      
iter:   7  19:23:52  -5.26  -4.20  -414.204521    2      1      
iter:   8  19:25:58  -5.72  -4.32  -414.204625    2      1      
iter:   9  19:28:01  -6.12  -4.51  -414.204315    2      1      
iter:  10  19:30:03  -6.69  -4.42  -414.205036    2      1      
iter:  11  19:32:04  -6.74  -4.37  -414.204465    2      1      
iter:  12  19:34:05  -6.89  -4.43  -414.204570    2      1      
iter:  13  19:36:07  -7.22  -4.69  -414.204641    2      1      
iter:  14  19:38:06  -7.33  -4.87  -414.204674    2      1      
iter:  15  19:40:04  -7.54  -4.82  -414.204690    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962103, -32.701115, 0.140222) |e|*Ang

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

Kinetic:        +18.655316
Potential:     -137.132173
External:        +0.000000
XC:            -305.464630
Entropy (-ST):   -1.560645
Local:          +10.517120
--------------------------
Free energy:   -414.985012
Extrapolated:  -414.204690

Fermi level: -6.41689

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.49142    0.15070
  0   340     -6.47215    0.14106
  0   341     -6.47075    0.14033
  0   342     -6.44025    0.12403

  1   339     -6.39290    0.19570
  1   340     -6.34360    0.14426
  1   341     -6.30669    0.11083
  1   342     -6.29776    0.10357



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17368
  1 Pt   -0.00000    0.00022   -0.37641
  2 Pt    0.00000   -0.01906   -0.43550
  3 O    -1.68218    0.00013   -0.71900
  4 O     1.68218    0.00013   -0.71900
  5 O     0.00000   -0.01130   -1.39302
  6 O     0.00000   -0.00278    1.77223
  7 Pt   -0.00000    0.01431    0.45230
  8 Pt    0.00000   -0.04110    0.76679
  9 O    -1.58098    0.00054    0.05140
 10 O     1.58098    0.00054    0.05140
 11 O     0.00000   -0.00885   -0.56376
 12 O    -0.00000    0.00805    0.11110
 13 Pt   -0.00000    0.19615   -0.02869
 14 Pt    0.00000   -0.02041    0.00546
 15 O    -0.00013    0.01054    0.00442
 16 O     0.00013    0.01054    0.00442
 17 O     0.00000    0.00049   -0.71530
 18 O    -0.00000    0.00099    0.02269
 19 Pt    0.00000   -0.03368    0.06677
 20 Pt    0.00000   -0.03837    0.10077
 21 O    -0.17891    0.31023    0.18342
 22 O     0.17891    0.31023    0.18342
 23 O     0.00000   -0.01582   -0.06136
 24 O     0.00000   -0.00059    1.15005
 25 Pt   -0.00000    0.01424   -0.37936
 26 Pt    0.00000   -0.00021   -0.43488
 27 O    -1.69073    0.01351   -0.71834
 28 O     1.69073    0.01351   -0.71834
 29 O    -0.00000    0.04966   -1.38837
 30 O     0.00000   -0.00449    1.83614
 31 Pt   -0.00000    0.01877    0.51222
 32 Pt    0.00000   -0.15404    0.57004
 33 O    -1.61383   -0.01903    0.07054
 34 O     1.61383   -0.01903    0.07054
 35 O     0.00000   -0.03249   -0.52266
 36 O    -0.00000    0.17016   -0.10009
 37 Pt    0.00000   -0.22339   -0.03254
 38 Pt    0.00000   -0.00432   -0.01045
 39 O     0.01006    0.01184    0.01666
 40 O    -0.01006    0.01184    0.01666
 41 O     0.00000    0.00296   -0.00817
 42 O    -0.00000    0.02598   -0.01364
 43 Pt   -0.00000    0.00054    0.03520
 44 Pt    0.00000   -0.06118    0.01457
 45 O    -0.15177   -0.28718    0.13707
 46 O     0.15177   -0.28718    0.13707
 47 O     0.00000   -0.02315   -0.03643
 48 O    -0.00000    0.02200    1.17203
 49 Pt    0.00000   -0.02265   -0.37888
 50 Pt   -0.00000    0.02119   -0.43647
 51 O    -1.68981   -0.01396   -0.71880
 52 O     1.68981   -0.01396   -0.71880
 53 O     0.00000   -0.01539   -1.40503
 54 O     0.00000   -0.00197    1.77894
 55 Pt    0.00000   -0.01213    0.51720
 56 Pt   -0.00000    0.13587    0.64631
 57 O    -1.61318    0.01378    0.09372
 58 O     1.61318    0.01378    0.09372
 59 O     0.00000   -0.02122   -0.51435
 60 O     0.00000   -0.16249   -0.09987
 61 Pt   -0.00000    0.00936   -0.06563
 62 Pt   -0.00000    0.01780   -0.00542
 63 O    -0.01173   -0.00784    0.00336
 64 O     0.01173   -0.00784    0.00336
 65 O     0.00000   -0.00392    0.00617
 66 O     0.00000   -0.00463   -0.00095
 67 Pt   -0.00000    0.00819    0.01883
 68 Pt   -0.00000    0.14601   -0.00315
 69 O    -0.00960   -0.00362   -0.01984
 70 O     0.00960   -0.00362   -0.01984
 71 O    -0.00000    0.00715   -0.03525
 72 N     0.00000   -0.11595    0.14067
 73 N    -0.00000    0.03237    0.08565

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.853496   24.382715    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.000512   23.679126    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:05:53  -3.18   +inf  -414.248664    3      1      
iter:   2  20:08:00  -3.20  -2.76  -415.624199    2      1      
iter:   3  20:10:09  -3.56  -2.04  -414.217186    3      1      
iter:   4  20:12:17  -4.19  -3.18  -414.208887    2      1      
iter:   5  20:14:24  -4.61  -3.86  -414.206352    3      1      
iter:   6  20:16:32  -4.87  -3.90  -414.207083    3      1      
iter:   7  20:18:39  -5.30  -3.92  -414.206845    2      1      
iter:   8  20:20:47  -5.76  -4.12  -414.207080    2      1      
iter:   9  20:22:54  -5.96  -4.44  -414.206937    2      1      
iter:  10  20:25:02  -6.63  -4.04  -414.206965    2      1      
iter:  11  20:27:08  -6.62  -4.39  -414.207276    2      1      
iter:  12  20:29:09  -6.90  -4.54  -414.206899    2      1      
iter:  13  20:31:09  -7.15  -4.71  -414.207067    2      1      
iter:  14  20:33:03  -7.45  -4.88  -414.207074    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962165, -32.696186, 0.136058) |e|*Ang

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

Kinetic:        +18.668965
Potential:     -137.156197
External:        +0.000000
XC:            -305.456985
Entropy (-ST):   -1.560983
Local:          +10.517635
--------------------------
Free energy:   -414.987565
Extrapolated:  -414.207074

Fermi level: -6.42035

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.49462    0.15057
  0   340     -6.47554    0.14102
  0   341     -6.47415    0.14029
  0   342     -6.44384    0.12410

  1   339     -6.39629    0.19561
  1   340     -6.34702    0.14420
  1   341     -6.31018    0.11085
  1   342     -6.30111    0.10348



Forces in eV/Ang:
  0 O     0.00000   -0.01749    1.17380
  1 Pt    0.00000    0.00004   -0.37663
  2 Pt    0.00000   -0.01910   -0.43505
  3 O    -1.68246    0.00009   -0.71911
  4 O     1.68246    0.00009   -0.71911
  5 O     0.00000   -0.01126   -1.39294
  6 O     0.00000   -0.00269    1.77172
  7 Pt   -0.00000    0.01434    0.45137
  8 Pt    0.00000   -0.04101    0.76560
  9 O    -1.58083    0.00058    0.05098
 10 O     1.58083    0.00058    0.05098
 11 O     0.00000   -0.00882   -0.56503
 12 O    -0.00000    0.00797    0.11142
 13 Pt   -0.00000    0.20050   -0.03042
 14 Pt    0.00000   -0.02056    0.00445
 15 O     0.00009    0.01051    0.00370
 16 O    -0.00009    0.01051    0.00370
 17 O    -0.00000    0.00222   -0.73170
 18 O    -0.00000    0.00085    0.02210
 19 Pt    0.00000   -0.03342    0.06991
 20 Pt    0.00000   -0.04076    0.10906
 21 O    -0.18037    0.31426    0.18662
 22 O     0.18037    0.31426    0.18662
 23 O     0.00000   -0.01495   -0.06178
 24 O     0.00000   -0.00057    1.15012
 25 Pt   -0.00000    0.01442   -0.37949
 26 Pt    0.00000   -0.00016   -0.43456
 27 O    -1.69098    0.01351   -0.71845
 28 O     1.69098    0.01351   -0.71845
 29 O    -0.00000    0.04938   -1.38873
 30 O     0.00000   -0.00465    1.83560
 31 Pt   -0.00000    0.01877    0.51119
 32 Pt    0.00000   -0.15339    0.57018
 33 O    -1.61373   -0.01902    0.07008
 34 O     1.61373   -0.01902    0.07008
 35 O     0.00000   -0.03252   -0.52376
 36 O    -0.00000    0.17299   -0.10239
 37 Pt    0.00000   -0.22822   -0.03451
 38 Pt    0.00000   -0.00397   -0.01156
 39 O     0.01040    0.01179    0.01587
 40 O    -0.01040    0.01179    0.01587
 41 O     0.00000    0.00338   -0.00929
 42 O    -0.00000    0.02628   -0.01434
 43 Pt    0.00000    0.00044    0.04125
 44 Pt    0.00000   -0.06473    0.02095
 45 O    -0.15620   -0.29344    0.14751
 46 O     0.15620   -0.29344    0.14751
 47 O     0.00000   -0.02379   -0.03614
 48 O    -0.00000    0.02200    1.17210
 49 Pt    0.00000   -0.02264   -0.37913
 50 Pt   -0.00000    0.02117   -0.43622
 51 O    -1.69014   -0.01392   -0.71892
 52 O     1.69014   -0.01392   -0.71892
 53 O     0.00000   -0.01516   -1.40549
 54 O     0.00000   -0.00189    1.77819
 55 Pt    0.00000   -0.01215    0.51636
 56 Pt   -0.00000    0.13519    0.64645
 57 O    -1.61308    0.01373    0.09318
 58 O     1.61308    0.01373    0.09318
 59 O     0.00000   -0.02122   -0.51531
 60 O     0.00000   -0.16504   -0.10189
 61 Pt   -0.00000    0.00937   -0.06833
 62 Pt   -0.00000    0.01762   -0.00650
 63 O    -0.01173   -0.00777    0.00271
 64 O     0.01173   -0.00777    0.00271
 65 O     0.00000   -0.00403    0.00401
 66 O     0.00000   -0.00481   -0.00174
 67 Pt   -0.00000    0.00801    0.01980
 68 Pt   -0.00000    0.14734   -0.00110
 69 O    -0.00898   -0.00383   -0.01901
 70 O     0.00898   -0.00383   -0.01901
 71 O    -0.00000    0.00713   -0.03545
 72 N     0.00000   -0.01602    0.09206
 73 N     0.00000   -0.03458   -0.00622

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.853850   24.392597    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.996513   23.694767    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:52:59  -3.21   +inf  -414.238239    3      1      
iter:   2  20:55:03  -3.31  -2.82  -415.290746    3      1      
iter:   3  20:57:08  -3.63  -2.10  -414.215174    3      1      
iter:   4  20:59:11  -4.28  -3.31  -414.209143    3      1      
iter:   5  21:01:12  -4.61  -3.92  -414.209582    3      1      
iter:   6  21:03:12  -5.00  -3.84  -414.207568    3      1      
iter:   7  21:05:12  -5.35  -4.16  -414.208020    2      1      
iter:   8  21:07:13  -5.66  -4.19  -414.208106    2      1      
iter:   9  21:09:16  -6.11  -4.52  -414.208214    2      1      
iter:  10  21:11:19  -6.34  -4.31  -414.207950    2      1      
iter:  11  21:13:22  -6.52  -3.88  -414.208036    2      1      
iter:  12  21:15:23  -6.64  -4.69  -414.208119    2      1      
iter:  13  21:17:23  -7.07  -4.91  -414.207971    2      1      
iter:  14  21:19:24  -7.41  -4.81  -414.208199    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962212, -32.691178, 0.132338) |e|*Ang

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

Kinetic:        +18.687833
Potential:     -137.189188
External:        +0.000000
XC:            -305.443311
Entropy (-ST):   -1.561165
Local:          +10.517050
--------------------------
Free energy:   -414.988782
Extrapolated:  -414.208199

Fermi level: -6.42388

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.49802    0.15051
  0   340     -6.47890    0.14093
  0   341     -6.47750    0.14020
  0   342     -6.44748    0.12416

  1   339     -6.39960    0.19538
  1   340     -6.35044    0.14410
  1   341     -6.31370    0.11085
  1   342     -6.30450    0.10336



Forces in eV/Ang:
  0 O     0.00000   -0.01748    1.17385
  1 Pt    0.00000   -0.00013   -0.37725
  2 Pt    0.00000   -0.01909   -0.43561
  3 O    -1.68358    0.00010   -0.71917
  4 O     1.68358    0.00010   -0.71917
  5 O     0.00000   -0.01125   -1.39246
  6 O     0.00000   -0.00269    1.76786
  7 Pt   -0.00000    0.01428    0.45021
  8 Pt    0.00000   -0.04101    0.76409
  9 O    -1.58081    0.00051    0.05093
 10 O     1.58081    0.00051    0.05093
 11 O     0.00000   -0.00882   -0.56518
 12 O    -0.00000    0.00804    0.11300
 13 Pt   -0.00000    0.20506   -0.03067
 14 Pt    0.00000   -0.02056    0.00512
 15 O     0.00051    0.01050    0.00407
 16 O    -0.00051    0.01050    0.00407
 17 O    -0.00000    0.00426   -0.74988
 18 O    -0.00000    0.00086    0.02303
 19 Pt    0.00000   -0.03312    0.07157
 20 Pt    0.00000   -0.04589    0.10961
 21 O    -0.18194    0.31789    0.18798
 22 O     0.18194    0.31789    0.18798
 23 O     0.00000   -0.01501   -0.06314
 24 O     0.00000   -0.00060    1.15015
 25 Pt   -0.00000    0.01461   -0.38009
 26 Pt    0.00000   -0.00016   -0.43515
 27 O    -1.69209    0.01351   -0.71851
 28 O     1.69209    0.01351   -0.71851
 29 O    -0.00000    0.04914   -1.38863
 30 O     0.00000   -0.00467    1.83180
 31 Pt   -0.00000    0.01879    0.51003
 32 Pt    0.00000   -0.15266    0.56984
 33 O    -1.61370   -0.01898    0.07002
 34 O     1.61370   -0.01898    0.07002
 35 O     0.00000   -0.03253   -0.52391
 36 O    -0.00000    0.17574   -0.10356
 37 Pt    0.00000   -0.23326   -0.03479
 38 Pt    0.00000   -0.00397   -0.01103
 39 O     0.01086    0.01185    0.01629
 40 O    -0.01086    0.01185    0.01629
 41 O     0.00000    0.00322   -0.01019
 42 O    -0.00000    0.02666   -0.01369
 43 Pt    0.00000    0.00035    0.04343
 44 Pt    0.00000   -0.06646    0.02080
 45 O    -0.15935   -0.29893    0.15288
 46 O     0.15935   -0.29893    0.15288
 47 O     0.00000   -0.02370   -0.03729
 48 O    -0.00000    0.02202    1.17212
 49 Pt    0.00000   -0.02265   -0.37967
 50 Pt   -0.00000    0.02117   -0.43682
 51 O    -1.69126   -0.01393   -0.71895
 52 O     1.69126   -0.01393   -0.71895
 53 O     0.00000   -0.01496   -1.40533
 54 O     0.00000   -0.00188    1.77442
 55 Pt    0.00000   -0.01212    0.51524
 56 Pt   -0.00000    0.13451    0.64610
 57 O    -1.61311    0.01374    0.09294
 58 O     1.61311    0.01374    0.09294
 59 O     0.00000   -0.02121   -0.51541
 60 O     0.00000   -0.16769   -0.10308
 61 Pt   -0.00000    0.00936   -0.06965
 62 Pt   -0.00000    0.01763   -0.00615
 63 O    -0.01163   -0.00781    0.00307
 64 O     0.01163   -0.00781    0.00307
 65 O     0.00000   -0.00375    0.00275
 66 O     0.00000   -0.00521   -0.00117
 67 Pt   -0.00000    0.00784    0.01939
 68 Pt   -0.00000    0.14861   -0.00079
 69 O    -0.00869   -0.00388   -0.01946
 70 O     0.00869   -0.00388   -0.01946
 71 O    -0.00000    0.00720   -0.03622
 72 N    -0.00000    0.04114    0.13924
 73 N     0.00000   -0.07150   -0.03409

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.854346   24.404720    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.993711   23.711901    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:37:44  -3.13   +inf  -414.207364    3      1      
iter:   2  21:39:46  -3.98  -3.36  -414.238357    3      1      
iter:   3  21:41:50  -4.38  -2.98  -414.220233    3      1      
iter:   4  21:43:54  -4.88  -3.18  -414.211487    3      1      
iter:   5  21:45:56  -5.13  -3.82  -414.210666    2      1      
iter:   6  21:47:57  -5.11  -4.03  -414.211033    2      1      
iter:   7  21:49:57  -5.59  -4.26  -414.210709    2      1      
iter:   8  21:51:58  -5.90  -4.31  -414.210767    2      1      
iter:   9  21:54:01  -6.08  -4.44  -414.210983    2      1      
iter:  10  21:56:05  -6.65  -4.40  -414.210390    2      1      
iter:  11  21:58:07  -6.88  -4.49  -414.210724    2      1      
iter:  12  22:00:08  -7.32  -4.86  -414.210696    2      1      
iter:  13  22:02:07  -7.33  -4.85  -414.210813    2      1      
iter:  14  22:04:04  -7.60  -4.69  -414.210734    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962235, -32.685716, 0.127644) |e|*Ang

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

Kinetic:        +18.773239
Potential:     -137.280982
External:        +0.000000
XC:            -305.439046
Entropy (-ST):   -1.561658
Local:          +10.516885
--------------------------
Free energy:   -414.991562
Extrapolated:  -414.210734

Fermi level: -6.42760

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50151    0.15040
  0   340     -6.48258    0.14091
  0   341     -6.48122    0.14021
  0   342     -6.45136    0.12425

  1   339     -6.40338    0.19545
  1   340     -6.35409    0.14404
  1   341     -6.31752    0.11093
  1   342     -6.30815    0.10331



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17384
  1 Pt    0.00000   -0.00025   -0.37620
  2 Pt    0.00000   -0.01913   -0.43505
  3 O    -1.68280    0.00006   -0.71902
  4 O     1.68280    0.00006   -0.71902
  5 O     0.00000   -0.01129   -1.39166
  6 O     0.00000   -0.00274    1.77024
  7 Pt   -0.00000    0.01445    0.45134
  8 Pt    0.00000   -0.04099    0.76412
  9 O    -1.58118    0.00066    0.05081
 10 O     1.58118    0.00066    0.05081
 11 O     0.00000   -0.00883   -0.56469
 12 O    -0.00000    0.00829    0.11461
 13 Pt   -0.00000    0.20895   -0.03139
 14 Pt    0.00000   -0.02049    0.00428
 15 O    -0.00016    0.01058    0.00362
 16 O     0.00016    0.01058    0.00362
 17 O    -0.00000    0.00590   -0.76510
 18 O    -0.00000    0.00087    0.02315
 19 Pt    0.00000   -0.03295    0.07448
 20 Pt    0.00000   -0.05100    0.10570
 21 O    -0.18408    0.32281    0.18988
 22 O     0.18408    0.32281    0.18988
 23 O     0.00000   -0.01545   -0.06381
 24 O     0.00000   -0.00056    1.15010
 25 Pt   -0.00000    0.01475   -0.37906
 26 Pt    0.00000   -0.00009   -0.43475
 27 O    -1.69131    0.01353   -0.71838
 28 O     1.69131    0.01353   -0.71838
 29 O    -0.00000    0.04895   -1.38846
 30 O     0.00000   -0.00464    1.83392
 31 Pt   -0.00000    0.01867    0.51129
 32 Pt    0.00000   -0.15204    0.57138
 33 O    -1.61406   -0.01909    0.06995
 34 O     1.61406   -0.01909    0.06995
 35 O     0.00000   -0.03253   -0.52335
 36 O    -0.00000    0.17829   -0.10404
 37 Pt    0.00000   -0.23783   -0.03592
 38 Pt    0.00000   -0.00378   -0.01187
 39 O     0.01011    0.01175    0.01583
 40 O    -0.01011    0.01175    0.01583
 41 O     0.00000    0.00344   -0.01189
 42 O    -0.00000    0.02732   -0.01390
 43 Pt    0.00000    0.00020    0.04606
 44 Pt    0.00000   -0.06711    0.02018
 45 O    -0.16307   -0.30563    0.15713
 46 O     0.16307   -0.30563    0.15713
 47 O     0.00000   -0.02298   -0.03753
 48 O    -0.00000    0.02201    1.17209
 49 Pt    0.00000   -0.02266   -0.37870
 50 Pt   -0.00000    0.02114   -0.43644
 51 O    -1.69055   -0.01392   -0.71880
 52 O     1.69055   -0.01392   -0.71880
 53 O     0.00000   -0.01475   -1.40509
 54 O     0.00000   -0.00187    1.77637
 55 Pt    0.00000   -0.01218    0.51644
 56 Pt   -0.00000    0.13393    0.64743
 57 O    -1.61345    0.01370    0.09277
 58 O     1.61345    0.01370    0.09277
 59 O     0.00000   -0.02120   -0.51496
 60 O     0.00000   -0.17031   -0.10316
 61 Pt   -0.00000    0.00962   -0.07164
 62 Pt   -0.00000    0.01741   -0.00660
 63 O    -0.01244   -0.00782    0.00271
 64 O     0.01244   -0.00782    0.00271
 65 O     0.00000   -0.00375    0.00083
 66 O     0.00000   -0.00589   -0.00137
 67 Pt   -0.00000    0.00794    0.01987
 68 Pt   -0.00000    0.14915    0.00095
 69 O    -0.00859   -0.00378   -0.02022
 70 O     0.00859   -0.00378   -0.02022
 71 O    -0.00000    0.00694   -0.03602
 72 N    -0.00000    0.07367    0.29608
 73 N     0.00000   -0.07949   -0.04408

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.853944   24.414855    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.993437   23.722736    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:20:03  -3.45   +inf  -414.212907    3      1      
iter:   2  22:22:08  -4.30  -3.56  -414.245391    2      1      
iter:   3  22:24:11  -4.73  -2.85  -414.212901    2      1      
iter:   4  22:26:16  -5.24  -4.09  -414.212305    2      1      
iter:   5  22:28:21  -5.34  -4.28  -414.213666    3      1      
iter:   6  22:30:28  -5.69  -4.05  -414.212626    3      1      
iter:   7  22:32:35  -6.21  -4.53  -414.212575    2      1      
iter:   8  22:34:42  -6.45  -4.61  -414.212611    2      1      
iter:   9  22:36:49  -6.52  -4.52  -414.212512    2      1      
iter:  10  22:38:55  -6.54  -3.85  -414.212523    2      1      
iter:  11  22:41:01  -7.07  -4.96  -414.212682    2      1      
iter:  12  22:43:06  -7.54  -4.86  -414.212489    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962276, -32.683210, 0.125437) |e|*Ang

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

Kinetic:        +18.832805
Potential:     -137.340808
External:        +0.000000
XC:            -305.441128
Entropy (-ST):   -1.561975
Local:          +10.517630
--------------------------
Free energy:   -414.993476
Extrapolated:  -414.212489

Fermi level: -6.42914

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50290    0.15033
  0   340     -6.48410    0.14090
  0   341     -6.48273    0.14019
  0   342     -6.45301    0.12431

  1   339     -6.40499    0.19552
  1   340     -6.35557    0.14398
  1   341     -6.31911    0.11097
  1   342     -6.30967    0.10330



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17411
  1 Pt    0.00000   -0.00037   -0.37552
  2 Pt    0.00000   -0.01911   -0.43381
  3 O    -1.68255    0.00008   -0.71863
  4 O     1.68255    0.00008   -0.71863
  5 O     0.00000   -0.01125   -1.39159
  6 O     0.00000   -0.00265    1.77123
  7 Pt   -0.00000    0.01426    0.45143
  8 Pt    0.00000   -0.04097    0.76430
  9 O    -1.58128    0.00048    0.05105
 10 O     1.58128    0.00048    0.05105
 11 O     0.00000   -0.00881   -0.56539
 12 O    -0.00000    0.00810    0.11510
 13 Pt   -0.00000    0.21160   -0.03261
 14 Pt    0.00000   -0.02071    0.00406
 15 O    -0.00011    0.01040    0.00341
 16 O     0.00011    0.01040    0.00341
 17 O    -0.00000    0.00607   -0.77590
 18 O    -0.00000    0.00067    0.02344
 19 Pt    0.00000   -0.03285    0.07338
 20 Pt    0.00000   -0.04871    0.11338
 21 O    -0.18465    0.32482    0.19098
 22 O     0.18465    0.32482    0.19098
 23 O     0.00000   -0.01406   -0.06539
 24 O     0.00000   -0.00063    1.15035
 25 Pt   -0.00000    0.01490   -0.37833
 26 Pt    0.00000   -0.00018   -0.43344
 27 O    -1.69106    0.01352   -0.71798
 28 O     1.69106    0.01352   -0.71798
 29 O    -0.00000    0.04879   -1.38826
 30 O     0.00000   -0.00480    1.83530
 31 Pt   -0.00000    0.01881    0.51122
 32 Pt    0.00000   -0.15159    0.57191
 33 O    -1.61418   -0.01893    0.07014
 34 O     1.61418   -0.01893    0.07014
 35 O     0.00000   -0.03259   -0.52405
 36 O    -0.00000    0.17940   -0.10505
 37 Pt    0.00000   -0.24052   -0.03720
 38 Pt    0.00000   -0.00366   -0.01204
 39 O     0.01035    0.01191    0.01560
 40 O    -0.01035    0.01191    0.01560
 41 O     0.00000    0.00365   -0.01297
 42 O    -0.00000    0.02722   -0.01365
 43 Pt    0.00000    0.00036    0.04885
 44 Pt    0.00000   -0.07039    0.02497
 45 O    -0.16595   -0.30882    0.16467
 46 O     0.16595   -0.30882    0.16467
 47 O     0.00000   -0.02411   -0.03797
 48 O    -0.00000    0.02208    1.17232
 49 Pt    0.00000   -0.02269   -0.37789
 50 Pt   -0.00000    0.02120   -0.43515
 51 O    -1.69026   -0.01392   -0.71839
 52 O     1.69026   -0.01392   -0.71839
 53 O     0.00000   -0.01464   -1.40489
 54 O     0.00000   -0.00179    1.77793
 55 Pt    0.00000   -0.01212    0.51658
 56 Pt   -0.00000    0.13348    0.64805
 57 O    -1.61370    0.01372    0.09291
 58 O     1.61370    0.01372    0.09291
 59 O     0.00000   -0.02117   -0.51544
 60 O     0.00000   -0.17116   -0.10413
 61 Pt   -0.00000    0.00949   -0.07306
 62 Pt   -0.00000    0.01751   -0.00701
 63 O    -0.01263   -0.00778    0.00265
 64 O     0.01263   -0.00778    0.00265
 65 O     0.00000   -0.00363   -0.00103
 66 O     0.00000   -0.00558   -0.00123
 67 Pt   -0.00000    0.00764    0.01837
 68 Pt   -0.00000    0.15002   -0.00099
 69 O    -0.00780   -0.00407   -0.01996
 70 O     0.00780   -0.00407   -0.01996
 71 O    -0.00000    0.00678   -0.03754
 72 N    -0.00000    0.13699    0.24087
 73 N     0.00000   -0.09267   -0.18611

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.854081   24.429676    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.993533   23.740656    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:03:53  -3.04   +inf  -414.223830    3      1      
iter:   2  23:06:00  -3.90  -3.29  -414.224831    3      1      
iter:   3  23:08:05  -4.29  -2.95  -414.226855    3      1      
iter:   4  23:10:11  -4.82  -3.01  -414.214497    3      1      
iter:   5  23:12:17  -5.03  -3.91  -414.213196    3      1      
iter:   6  23:14:23  -5.09  -3.84  -414.213224    3      1      
iter:   7  23:16:29  -5.60  -4.26  -414.213348    2      1      
iter:   8  23:18:33  -5.66  -4.54  -414.213299    3      1      
iter:   9  23:20:37  -5.83  -4.59  -414.213265    2      1      
iter:  10  23:22:42  -6.55  -4.48  -414.213303    1      1      
iter:  11  23:24:47  -7.09  -4.64  -414.213111    2      1      
iter:  12  23:26:51  -7.49  -4.78  -414.213402    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962274, -32.678275, 0.121091) |e|*Ang

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

Kinetic:        +19.163300
Potential:     -137.633330
External:        +0.000000
XC:            -305.483634
Entropy (-ST):   -1.561675
Local:          +10.521099
--------------------------
Free energy:   -414.994240
Extrapolated:  -414.213402

Fermi level: -6.43279

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50591    0.15002
  0   340     -6.48794    0.14100
  0   341     -6.48661    0.14031
  0   342     -6.45656    0.12426

  1   339     -6.40837    0.19523
  1   340     -6.35943    0.14418
  1   341     -6.32273    0.11095
  1   342     -6.31296    0.10301



Forces in eV/Ang:
  0 O     0.00000   -0.01749    1.17423
  1 Pt    0.00000   -0.00053   -0.37689
  2 Pt    0.00000   -0.01909   -0.43516
  3 O    -1.68274    0.00012   -0.71912
  4 O     1.68274    0.00012   -0.71912
  5 O     0.00000   -0.01122   -1.39228
  6 O     0.00000   -0.00266    1.77016
  7 Pt   -0.00000    0.01423    0.45098
  8 Pt    0.00000   -0.04104    0.76334
  9 O    -1.58071    0.00044    0.05064
 10 O     1.58071    0.00044    0.05064
 11 O     0.00000   -0.00881   -0.56502
 12 O    -0.00000    0.00813    0.11699
 13 Pt   -0.00000    0.21536   -0.03090
 14 Pt    0.00000   -0.02066    0.00657
 15 O     0.00031    0.01043    0.00395
 16 O    -0.00031    0.01043    0.00395
 17 O    -0.00000    0.00692   -0.78907
 18 O    -0.00000    0.00060    0.02440
 19 Pt    0.00000   -0.03225    0.07621
 20 Pt    0.00000   -0.05095    0.11105
 21 O    -0.18703    0.32923    0.19364
 22 O     0.18703    0.32923    0.19364
 23 O     0.00000   -0.01422   -0.06958
 24 O     0.00000   -0.00066    1.15049
 25 Pt   -0.00000    0.01506   -0.37969
 26 Pt    0.00000   -0.00020   -0.43474
 27 O    -1.69125    0.01347   -0.71847
 28 O     1.69125    0.01347   -0.71847
 29 O    -0.00000    0.04857   -1.38943
 30 O     0.00000   -0.00468    1.83450
 31 Pt   -0.00000    0.01883    0.51081
 32 Pt    0.00000   -0.15078    0.57199
 33 O    -1.61356   -0.01890    0.06975
 34 O     1.61356   -0.01890    0.06975
 35 O     0.00000   -0.03256   -0.52376
 36 O    -0.00000    0.18229   -0.10604
 37 Pt    0.00000   -0.24449   -0.03572
 38 Pt    0.00000   -0.00380   -0.00977
 39 O     0.01079    0.01190    0.01613
 40 O    -0.01079    0.01190    0.01613
 41 O     0.00000    0.00378   -0.00564
 42 O    -0.00000    0.02755   -0.01302
 43 Pt    0.00000   -0.00003    0.05208
 44 Pt    0.00000   -0.07161    0.02556
 45 O    -0.16989   -0.31487    0.17116
 46 O     0.16989   -0.31487    0.17116
 47 O     0.00000   -0.02380   -0.04069
 48 O    -0.00000    0.02208    1.17245
 49 Pt    0.00000   -0.02268   -0.37918
 50 Pt   -0.00000    0.02121   -0.43646
 51 O    -1.69043   -0.01391   -0.71887
 52 O     1.69043   -0.01391   -0.71887
 53 O     0.00000   -0.01446   -1.40603
 54 O     0.00000   -0.00189    1.77721
 55 Pt    0.00000   -0.01211    0.51613
 56 Pt   -0.00000    0.13277    0.64795
 57 O    -1.61317    0.01373    0.09232
 58 O     1.61317    0.01373    0.09232
 59 O     0.00000   -0.02120   -0.51521
 60 O     0.00000   -0.17390   -0.10498
 61 Pt   -0.00000    0.00950   -0.07179
 62 Pt   -0.00000    0.01761   -0.00465
 63 O    -0.01234   -0.00782    0.00312
 64 O     0.01234   -0.00782    0.00312
 65 O     0.00000   -0.00352    0.00599
 66 O     0.00000   -0.00582   -0.00073
 67 Pt   -0.00000    0.00753    0.01975
 68 Pt   -0.00000    0.15092    0.00003
 69 O    -0.00884   -0.00412   -0.01996
 70 O     0.00884   -0.00412   -0.01996
 71 O    -0.00000    0.00674   -0.03983
 72 N    -0.00000    0.31062    0.36307
 73 N     0.00000   -0.30587   -0.36018

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 N                 
                     Pt            
          O Pt   N     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    2.856037   24.446383    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.992914   23.760024    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:58:08  -2.93   +inf  -414.275906    3      1      
iter:   2  00:00:12  -3.03  -2.67  -416.196857    3      1      
iter:   3  00:02:17  -3.39  -1.97  -414.236714    3      1      
iter:   4  00:04:19  -3.94  -3.09  -414.217883    3      1      
iter:   5  00:06:19  -4.43  -3.59  -414.217893    3      1      
iter:   6  00:08:19  -4.65  -3.86  -414.215347    3      1      
iter:   7  00:10:21  -5.06  -3.94  -414.215614    2      1      
iter:   8  00:12:24  -5.46  -4.11  -414.215767    2      1      
iter:   9  00:14:28  -5.86  -4.30  -414.215881    2      1      
iter:  10  00:16:31  -6.20  -4.34  -414.216039    2      1      
iter:  11  00:18:33  -6.23  -4.17  -414.215318    2      1      
iter:  12  00:20:33  -6.63  -4.46  -414.215697    2      1      
iter:  13  00:22:33  -6.88  -4.68  -414.215613    2      1      
iter:  14  00:24:35  -7.11  -4.71  -414.215700    2      1      
iter:  15  00:26:34  -7.38  -4.87  -414.215682    2      1      
iter:  16  00:28:32  -7.43  -4.90  -414.215684    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962308, -32.672798, 0.116439) |e|*Ang

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

Kinetic:        +19.074708
Potential:     -137.584831
External:        +0.000000
XC:            -305.444233
Entropy (-ST):   -1.562266
Local:          +10.519805
--------------------------
Free energy:   -414.996817
Extrapolated:  -414.215684

Fermi level: -6.43662

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50944    0.14987
  0   340     -6.49170    0.14096
  0   341     -6.49041    0.14029
  0   342     -6.46050    0.12432

  1   339     -6.41236    0.19540
  1   340     -6.36317    0.14410
  1   341     -6.32661    0.11099
  1   342     -6.31677    0.10300



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17386
  1 Pt    0.00000   -0.00067   -0.37579
  2 Pt    0.00000   -0.01908   -0.43517
  3 O    -1.68158    0.00015   -0.71889
  4 O     1.68158    0.00015   -0.71889
  5 O     0.00000   -0.01126   -1.39154
  6 O     0.00000   -0.00279    1.77288
  7 Pt   -0.00000    0.01429    0.45266
  8 Pt    0.00000   -0.04114    0.76415
  9 O    -1.58083    0.00047    0.05161
 10 O     1.58083    0.00047    0.05161
 11 O     0.00000   -0.00885   -0.56473
 12 O    -0.00000    0.00838    0.11843
 13 Pt   -0.00000    0.21987   -0.03132
 14 Pt    0.00000   -0.02042    0.00557
 15 O    -0.00009    0.01066    0.00428
 16 O     0.00009    0.01066    0.00428
 17 O    -0.00000    0.00815   -0.80779
 18 O    -0.00000    0.00076    0.02356
 19 Pt    0.00000   -0.03170    0.08045
 20 Pt    0.00000   -0.05617    0.10427
 21 O    -0.18949    0.33308    0.19437
 22 O     0.18949    0.33308    0.19437
 23 O     0.00000   -0.01552   -0.06818
 24 O     0.00000   -0.00067    1.15008
 25 Pt   -0.00000    0.01522   -0.37867
 26 Pt    0.00000   -0.00020   -0.43480
 27 O    -1.69011    0.01347   -0.71825
 28 O     1.69011    0.01347   -0.71825
 29 O    -0.00000    0.04840   -1.38916
 30 O     0.00000   -0.00451    1.83723
 31 Pt   -0.00000    0.01881    0.51260
 32 Pt    0.00000   -0.14997    0.57413
 33 O    -1.61362   -0.01897    0.07074
 34 O     1.61362   -0.01897    0.07074
 35 O     0.00000   -0.03251   -0.52337
 36 O    -0.00000    0.18494   -0.10691
 37 Pt    0.00000   -0.24950   -0.03624
 38 Pt    0.00000   -0.00412   -0.01135
 39 O     0.01029    0.01173    0.01661
 40 O    -0.01029    0.01173    0.01661
 41 O     0.00000    0.00340   -0.00627
 42 O    -0.00000    0.02781   -0.01454
 43 Pt    0.00000   -0.00066    0.05356
 44 Pt    0.00000   -0.07119    0.02090
 45 O    -0.17252   -0.32019    0.17091
 46 O     0.17252   -0.32019    0.17091
 47 O     0.00000   -0.02338   -0.04038
 48 O    -0.00000    0.02211    1.17207
 49 Pt    0.00000   -0.02270   -0.37808
 50 Pt   -0.00000    0.02119   -0.43645
 51 O    -1.68929   -0.01394   -0.71863
 52 O     1.68929   -0.01394   -0.71863
 53 O     0.00000   -0.01426   -1.40562
 54 O     0.00000   -0.00195    1.78002
 55 Pt    0.00000   -0.01215    0.51780
 56 Pt   -0.00000    0.13209    0.64982
 57 O    -1.61323    0.01378    0.09312
 58 O     1.61323    0.01378    0.09312
 59 O     0.00000   -0.02121   -0.51499
 60 O     0.00000   -0.17665   -0.10559
 61 Pt   -0.00000    0.00975   -0.07363
 62 Pt   -0.00000    0.01771   -0.00610
 63 O    -0.01280   -0.00791    0.00325
 64 O     0.01280   -0.00791    0.00325
 65 O     0.00000   -0.00315    0.00554
 66 O     0.00000   -0.00625   -0.00215
 67 Pt   -0.00000    0.00775    0.02046
 68 Pt   -0.00000    0.15205    0.00246
 69 O    -0.00984   -0.00385   -0.02167
 70 O     0.00984   -0.00385   -0.02167
 71 O    -0.00000    0.00761   -0.03839
 72 N    -0.00000    0.18671    0.32050
 73 N     0.00000   -0.35384   -0.17536

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    2.856862   24.464696    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.989642   23.783094    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:42:42  -2.80   +inf  -414.294409    3      1      
iter:   2  00:44:47  -2.95  -2.64  -416.558802    3      1      
iter:   3  00:46:50  -3.34  -1.94  -414.241784    3      1      
iter:   4  00:48:52  -3.85  -2.95  -414.222949    3      1      
iter:   5  00:50:52  -4.37  -3.61  -414.219256    3      1      
iter:   6  00:52:52  -4.51  -3.70  -414.218296    3      1      
iter:   7  00:54:55  -4.90  -3.88  -414.218345    2      1      
iter:   8  00:56:58  -5.36  -3.90  -414.218770    2      1      
iter:   9  00:58:59  -5.76  -4.09  -414.218549    2      1      
iter:  10  01:01:01  -6.06  -4.26  -414.218319    2      1      
iter:  11  01:03:02  -5.97  -4.29  -414.218880    2      1      
iter:  12  01:05:02  -6.39  -4.38  -414.218209    2      1      
iter:  13  01:07:04  -6.76  -4.46  -414.218494    2      1      
iter:  14  01:09:06  -7.23  -4.67  -414.218494    2      1      
iter:  15  01:11:06  -7.02  -4.24  -414.218528    2      1      
iter:  16  01:13:04  -7.13  -4.53  -414.218509    2      1      
iter:  17  01:15:01  -7.39  -5.06  -414.218423    2      1      
iter:  18  01:17:04  -8.13  -5.18  -414.218513    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962383, -32.666134, 0.110887) |e|*Ang

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

Kinetic:        +18.996301
Potential:     -137.547072
External:        +0.000000
XC:            -305.406506
Entropy (-ST):   -1.562508
Local:          +10.520018
--------------------------
Free energy:   -414.999767
Extrapolated:  -414.218513

Fermi level: -6.44170

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51443    0.14983
  0   340     -6.49659    0.14086
  0   341     -6.49530    0.14020
  0   342     -6.46580    0.12443

  1   339     -6.41718    0.19511
  1   340     -6.36810    0.14395
  1   341     -6.33173    0.11102
  1   342     -6.32184    0.10299



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17395
  1 Pt    0.00000   -0.00087   -0.37613
  2 Pt    0.00000   -0.01907   -0.43526
  3 O    -1.68305    0.00015   -0.71870
  4 O     1.68305    0.00015   -0.71870
  5 O     0.00000   -0.01123   -1.39056
  6 O     0.00000   -0.00277    1.76933
  7 Pt   -0.00000    0.01427    0.45146
  8 Pt    0.00000   -0.04112    0.76247
  9 O    -1.58095    0.00045    0.05167
 10 O     1.58095    0.00045    0.05167
 11 O     0.00000   -0.00882   -0.56487
 12 O    -0.00000    0.00845    0.12002
 13 Pt   -0.00000    0.22519   -0.03197
 14 Pt    0.00000   -0.02051    0.00609
 15 O     0.00027    0.01059    0.00437
 16 O    -0.00027    0.01059    0.00437
 17 O    -0.00000    0.00948   -0.82973
 18 O    -0.00000    0.00060    0.02458
 19 Pt    0.00000   -0.03130    0.08297
 20 Pt    0.00000   -0.06008    0.10596
 21 O    -0.19089    0.33736    0.19664
 22 O     0.19089    0.33736    0.19664
 23 O     0.00000   -0.01569   -0.06995
 24 O     0.00000   -0.00069    1.15015
 25 Pt   -0.00000    0.01543   -0.37896
 26 Pt    0.00000   -0.00021   -0.43495
 27 O    -1.69158    0.01347   -0.71805
 28 O     1.69158    0.01347   -0.71805
 29 O    -0.00000    0.04812   -1.38862
 30 O     0.00000   -0.00452    1.83381
 31 Pt   -0.00000    0.01883    0.51140
 32 Pt    0.00000   -0.14916    0.57374
 33 O    -1.61373   -0.01895    0.07080
 34 O     1.61373   -0.01895    0.07080
 35 O     0.00000   -0.03254   -0.52357
 36 O    -0.00000    0.18783   -0.10803
 37 Pt    0.00000   -0.25529   -0.03722
 38 Pt    0.00000   -0.00402   -0.01093
 39 O     0.01073    0.01180    0.01661
 40 O    -0.01073    0.01180    0.01661
 41 O     0.00000    0.00341   -0.00928
 42 O    -0.00000    0.02852   -0.01389
 43 Pt    0.00000   -0.00078    0.05669
 44 Pt    0.00000   -0.07258    0.02103
 45 O    -0.17558   -0.32636    0.17679
 46 O     0.17558   -0.32636    0.17679
 47 O     0.00000   -0.02311   -0.04159
 48 O    -0.00000    0.02212    1.17214
 49 Pt    0.00000   -0.02270   -0.37836
 50 Pt   -0.00000    0.02120   -0.43662
 51 O    -1.69076   -0.01394   -0.71842
 52 O     1.69076   -0.01394   -0.71842
 53 O     0.00000   -0.01403   -1.40505
 54 O     0.00000   -0.00196    1.77665
 55 Pt    0.00000   -0.01214    0.51661
 56 Pt   -0.00000    0.13131    0.64936
 57 O    -1.61340    0.01378    0.09301
 58 O     1.61340    0.01378    0.09301
 59 O     0.00000   -0.02121   -0.51513
 60 O     0.00000   -0.17949   -0.10655
 61 Pt   -0.00000    0.00989   -0.07562
 62 Pt   -0.00000    0.01771   -0.00560
 63 O    -0.01273   -0.00791    0.00338
 64 O     0.01273   -0.00791    0.00338
 65 O     0.00000   -0.00287    0.00242
 66 O     0.00000   -0.00675   -0.00163
 67 Pt   -0.00000    0.00757    0.02047
 68 Pt   -0.00000    0.15306    0.00378
 69 O    -0.00899   -0.00388   -0.02140
 70 O     0.00899   -0.00388   -0.02140
 71 O    -0.00000    0.00753   -0.03903
 72 N    -0.00000    0.18443    0.39709
 73 N     0.00000   -0.33136   -0.19534

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    2.857917   24.485154    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.986187   23.806970    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:29:42  -2.74   +inf  -414.233017    3      1      
iter:   2  01:31:47  -3.41  -2.98  -414.699571    3      1      
iter:   3  01:33:51  -3.85  -2.27  -414.231745    3      1      
iter:   4  01:35:53  -4.45  -3.36  -414.224927    3      1      
iter:   5  01:37:53  -4.68  -3.53  -414.223298    3      1      
iter:   6  01:39:55  -4.77  -3.82  -414.223109    3      1      
iter:   7  01:41:58  -5.05  -3.89  -414.222426    2      1      
iter:   8  01:44:01  -5.48  -4.19  -414.222537    2      1      
iter:   9  01:46:02  -5.60  -4.33  -414.222038    2      1      
iter:  10  01:48:03  -5.98  -4.30  -414.223185    3      1      
iter:  11  01:50:03  -6.34  -4.12  -414.222393    2      1      
iter:  12  01:52:05  -6.90  -4.56  -414.222395    2      1      
iter:  13  01:54:07  -6.99  -4.55  -414.222600    2      1      
iter:  14  01:56:08  -6.92  -4.42  -414.222576    2      1      
iter:  15  01:57:55  -7.06  -4.61  -414.222595    2      1      
iter:  16  01:59:42  -7.25  -4.76  -414.222377    2      1      
iter:  17  02:01:29  -7.82  -4.88  -414.222525    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962422, -32.659644, 0.105442) |e|*Ang

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

Kinetic:        +18.740252
Potential:     -137.368589
External:        +0.000000
XC:            -305.330542
Entropy (-ST):   -1.562836
Local:          +10.517774
--------------------------
Free energy:   -415.003943
Extrapolated:  -414.222525

Fermi level: -6.44634

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51881    0.14970
  0   340     -6.50111    0.14080
  0   341     -6.49984    0.14014
  0   342     -6.47058    0.12451

  1   339     -6.42169    0.19498
  1   340     -6.37266    0.14387
  1   341     -6.33639    0.11104
  1   342     -6.32731    0.10364



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17419
  1 Pt    0.00000   -0.00104   -0.37619
  2 Pt    0.00000   -0.01905   -0.43519
  3 O    -1.68340    0.00018   -0.71872
  4 O     1.68340    0.00018   -0.71872
  5 O     0.00000   -0.01123   -1.39045
  6 O     0.00000   -0.00280    1.76714
  7 Pt   -0.00000    0.01427    0.45056
  8 Pt    0.00000   -0.04118    0.76140
  9 O    -1.58113    0.00044    0.05100
 10 O     1.58113    0.00044    0.05100
 11 O     0.00000   -0.00882   -0.56539
 12 O    -0.00000    0.00855    0.12111
 13 Pt   -0.00000    0.23039   -0.03324
 14 Pt    0.00000   -0.02046    0.00592
 15 O     0.00033    0.01069    0.00409
 16 O    -0.00033    0.01069    0.00409
 17 O    -0.00000    0.01059   -0.85132
 18 O    -0.00000    0.00060    0.02498
 19 Pt    0.00000   -0.03080    0.08460
 20 Pt    0.00000   -0.06173    0.10984
 21 O    -0.19271    0.34180    0.19790
 22 O     0.19271    0.34180    0.19790
 23 O     0.00000   -0.01578   -0.07205
 24 O     0.00000   -0.00071    1.15036
 25 Pt   -0.00000    0.01561   -0.37906
 26 Pt    0.00000   -0.00023   -0.43488
 27 O    -1.69195    0.01345   -0.71808
 28 O     1.69195    0.01345   -0.71808
 29 O    -0.00000    0.04788   -1.38895
 30 O     0.00000   -0.00444    1.83174
 31 Pt   -0.00000    0.01883    0.51056
 32 Pt    0.00000   -0.14826    0.57398
 33 O    -1.61386   -0.01896    0.07015
 34 O     1.61386   -0.01896    0.07015
 35 O     0.00000   -0.03252   -0.52412
 36 O    -0.00000    0.19071   -0.10959
 37 Pt    0.00000   -0.26086   -0.03876
 38 Pt    0.00000   -0.00411   -0.01127
 39 O     0.01078    0.01176    0.01634
 40 O    -0.01078    0.01176    0.01634
 41 O     0.00000    0.00344   -0.01024
 42 O    -0.00000    0.02899   -0.01392
 43 Pt    0.00000   -0.00122    0.05930
 44 Pt    0.00000   -0.07453    0.02133
 45 O    -0.17927   -0.33283    0.18253
 46 O     0.17927   -0.33283    0.18253
 47 O     0.00000   -0.02283   -0.04295
 48 O    -0.00000    0.02214    1.17235
 49 Pt    0.00000   -0.02271   -0.37838
 50 Pt   -0.00000    0.02120   -0.43652
 51 O    -1.69112   -0.01395   -0.71843
 52 O     1.69112   -0.01395   -0.71843
 53 O     0.00000   -0.01381   -1.40531
 54 O     0.00000   -0.00201    1.77470
 55 Pt    0.00000   -0.01214    0.51570
 56 Pt   -0.00000    0.13049    0.64944
 57 O    -1.61362    0.01379    0.09218
 58 O     1.61362    0.01379    0.09218
 59 O     0.00000   -0.02123   -0.51579
 60 O     0.00000   -0.18238   -0.10794
 61 Pt   -0.00000    0.00999   -0.07793
 62 Pt   -0.00000    0.01776   -0.00594
 63 O    -0.01281   -0.00796    0.00312
 64 O     0.01281   -0.00796    0.00312
 65 O     0.00000   -0.00264    0.00114
 66 O     0.00000   -0.00722   -0.00167
 67 Pt   -0.00000    0.00754    0.01961
 68 Pt   -0.00000    0.15374    0.00326
 69 O    -0.00901   -0.00382   -0.02266
 70 O     0.00901   -0.00382   -0.02266
 71 O    -0.00000    0.00745   -0.04036
 72 N    -0.00000    0.05881    0.22287
 73 N     0.00000   -0.10400    0.00015

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    2.856031   24.503477    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.984326   23.830672    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:16:28  -2.79   +inf  -414.254501    3      1      
iter:   2  02:18:34  -3.34  -2.92  -414.872888    3      1      
iter:   3  02:20:38  -3.71  -2.20  -414.227579    3      1      
iter:   4  02:22:43  -4.43  -3.33  -414.229266    3      1      
iter:   5  02:24:47  -4.99  -3.77  -414.226115    3      1      
iter:   6  02:26:51  -4.76  -3.84  -414.224496    3      1      
iter:   7  02:28:55  -5.46  -3.92  -414.225712    2      1      
iter:   8  02:30:58  -5.17  -4.02  -414.225533    3      1      
iter:   9  02:33:03  -5.54  -4.30  -414.225634    2      1      
iter:  10  02:35:06  -5.96  -3.90  -414.226600    2      1      
iter:  11  02:37:10  -6.19  -3.90  -414.225189    3      1      
iter:  12  02:39:14  -6.18  -4.23  -414.225744    2      1      
iter:  13  02:41:14  -6.31  -4.46  -414.225613    2      1      
iter:  14  02:43:15  -6.83  -4.68  -414.225561    2      1      
iter:  15  02:45:14  -7.13  -4.85  -414.225499    2      1      
iter:  16  02:47:13  -7.03  -4.56  -414.225419    2      1      
iter:  17  02:49:12  -7.35  -4.81  -414.225643    2      1      
iter:  18  02:51:09  -7.42  -4.82  -414.225354    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962537, -32.653185, 0.098661) |e|*Ang

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

Kinetic:        +19.161168
Potential:     -137.712625
External:        +0.000000
XC:            -305.409208
Entropy (-ST):   -1.563458
Local:          +10.517039
--------------------------
Free energy:   -415.007083
Extrapolated:  -414.225354

Fermi level: -6.45168

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52386    0.14956
  0   340     -6.50640    0.14078
  0   341     -6.50516    0.14013
  0   342     -6.47612    0.12462

  1   339     -6.42718    0.19514
  1   340     -6.37792    0.14379
  1   341     -6.34182    0.11111
  1   342     -6.33340    0.10425



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17362
  1 Pt    0.00000   -0.00117   -0.37554
  2 Pt    0.00000   -0.01908   -0.43433
  3 O    -1.68251    0.00016   -0.71867
  4 O     1.68251    0.00016   -0.71867
  5 O     0.00000   -0.01119   -1.39001
  6 O     0.00000   -0.00273    1.77045
  7 Pt   -0.00000    0.01426    0.45160
  8 Pt    0.00000   -0.04115    0.76175
  9 O    -1.58153    0.00042    0.05104
 10 O     1.58153    0.00042    0.05104
 11 O     0.00000   -0.00882   -0.56604
 12 O    -0.00000    0.00841    0.12183
 13 Pt   -0.00000    0.23496   -0.03522
 14 Pt    0.00000   -0.02063    0.00434
 15 O    -0.00020    0.01072    0.00317
 16 O     0.00020    0.01072    0.00317
 17 O    -0.00000    0.01142   -0.86986
 18 O     0.00000    0.00040    0.02446
 19 Pt    0.00000   -0.02994    0.09118
 20 Pt    0.00000   -0.06417    0.11425
 21 O    -0.19391    0.34608    0.20303
 22 O     0.19391    0.34608    0.20303
 23 O     0.00000   -0.01456   -0.06913
 24 O     0.00000   -0.00071    1.14974
 25 Pt   -0.00000    0.01577   -0.37833
 26 Pt    0.00000   -0.00020   -0.43412
 27 O    -1.69103    0.01346   -0.71803
 28 O     1.69103    0.01346   -0.71803
 29 O    -0.00000    0.04762   -1.38879
 30 O     0.00000   -0.00455    1.83505
 31 Pt   -0.00000    0.01882    0.51150
 32 Pt    0.00000   -0.14758    0.57548
 33 O    -1.61431   -0.01891    0.07016
 34 O     1.61431   -0.01891    0.07016
 35 O     0.00000   -0.03255   -0.52472
 36 O    -0.00000    0.19328   -0.11131
 37 Pt    0.00000   -0.26558   -0.04094
 38 Pt    0.00000   -0.00378   -0.01281
 39 O     0.01044    0.01167    0.01539
 40 O    -0.01044    0.01167    0.01539
 41 O     0.00000    0.00377   -0.01199
 42 O    -0.00000    0.02972   -0.01477
 43 Pt    0.00000   -0.00163    0.06853
 44 Pt    0.00000   -0.07665    0.02960
 45 O    -0.18315   -0.33881    0.19438
 46 O     0.18315   -0.33881    0.19438
 47 O     0.00000   -0.02442   -0.04027
 48 O    -0.00000    0.02217    1.17173
 49 Pt    0.00000   -0.02273   -0.37773
 50 Pt   -0.00000    0.02120   -0.43584
 51 O    -1.69026   -0.01394   -0.71837
 52 O     1.69026   -0.01394   -0.71837
 53 O     0.00000   -0.01360   -1.40514
 54 O     0.00000   -0.00198    1.77790
 55 Pt    0.00000   -0.01212    0.51679
 56 Pt   -0.00000    0.12983    0.65093
 57 O    -1.61411    0.01377    0.09210
 58 O     1.61411    0.01377    0.09210
 59 O     0.00000   -0.02121   -0.51616
 60 O     0.00000   -0.18458   -0.10945
 61 Pt   -0.00000    0.00988   -0.08074
 62 Pt   -0.00000    0.01763   -0.00751
 63 O    -0.01350   -0.00793    0.00239
 64 O     0.01350   -0.00793    0.00239
 65 O     0.00000   -0.00264   -0.00149
 66 O     0.00000   -0.00770   -0.00266
 67 Pt   -0.00000    0.00718    0.02221
 68 Pt   -0.00000    0.15518    0.00985
 69 O    -0.00803   -0.00424   -0.02064
 70 O     0.00803   -0.00424   -0.02064
 71 O    -0.00000    0.00800   -0.03795
 72 N    -0.00000    0.36939    0.51836
 73 N     0.00000   -0.49138   -0.27520

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    2.852080   24.519527    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.984136   23.852636    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:58:47  -2.84   +inf  -414.338696    4      1      
iter:   2  03:00:54  -2.96  -2.64  -416.123469    4      1      
iter:   3  03:03:00  -3.25  -1.98  -414.270729    3      1      
iter:   4  03:05:04  -3.77  -2.74  -414.233070    3      1      
iter:   5  03:07:09  -4.63  -3.33  -414.225688    3      1      
iter:   6  03:09:14  -4.70  -3.56  -414.222294    3      1      
iter:   7  03:11:17  -5.15  -3.89  -414.222120    3      1      
iter:   8  03:13:21  -4.85  -3.73  -414.222403    3      1      
iter:   9  03:15:25  -5.27  -3.97  -414.221081    3      1      
iter:  10  03:17:28  -5.33  -4.16  -414.221647    2      1      
iter:  11  03:19:31  -5.88  -4.16  -414.221174    3      1      
iter:  12  03:21:34  -6.11  -4.32  -414.221503    2      1      
iter:  13  03:23:36  -6.20  -4.34  -414.221284    2      1      
iter:  14  03:25:39  -6.48  -4.11  -414.221230    2      1      
iter:  15  03:27:42  -6.61  -4.52  -414.221228    2      1      
iter:  16  03:29:41  -6.82  -4.78  -414.221082    2      1      
iter:  17  03:31:40  -7.08  -4.76  -414.221284    2      1      
iter:  18  03:33:41  -7.41  -4.85  -414.221186    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962553, -32.648379, 0.093690) |e|*Ang

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

Kinetic:        +20.241259
Potential:     -138.589607
External:        +0.000000
XC:            -305.609935
Entropy (-ST):   -1.563328
Local:          +10.518762
--------------------------
Free energy:   -415.002850
Extrapolated:  -414.221186

Fermi level: -6.45616

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52813    0.14945
  0   340     -6.51079    0.14073
  0   341     -6.50955    0.14009
  0   342     -6.48069    0.12467

  1   339     -6.43137    0.19482
  1   340     -6.38237    0.14376
  1   341     -6.34628    0.11110
  1   342     -6.33841    0.10467



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17388
  1 Pt    0.00000   -0.00128   -0.37630
  2 Pt    0.00000   -0.01908   -0.43454
  3 O    -1.68349    0.00016   -0.71859
  4 O     1.68349    0.00016   -0.71859
  5 O     0.00000   -0.01118   -1.38952
  6 O     0.00000   -0.00275    1.76677
  7 Pt   -0.00000    0.01423    0.44987
  8 Pt    0.00000   -0.04120    0.75999
  9 O    -1.58105    0.00040    0.05085
 10 O     1.58105    0.00040    0.05085
 11 O     0.00000   -0.00882   -0.56589
 12 O    -0.00000    0.00843    0.12357
 13 Pt   -0.00000    0.23862   -0.03460
 14 Pt    0.00000   -0.02063    0.00556
 15 O     0.00043    0.01065    0.00373
 16 O    -0.00043    0.01065    0.00373
 17 O    -0.00000    0.01194   -0.88398
 18 O     0.00000    0.00036    0.02510
 19 Pt    0.00000   -0.02978    0.09381
 20 Pt    0.00000   -0.06642    0.11095
 21 O    -0.19549    0.34971    0.20511
 22 O     0.19549    0.34971    0.20511
 23 O     0.00000   -0.01396   -0.07160
 24 O     0.00000   -0.00071    1.14999
 25 Pt   -0.00000    0.01591   -0.37908
 26 Pt    0.00000   -0.00020   -0.43438
 27 O    -1.69202    0.01346   -0.71796
 28 O     1.69202    0.01346   -0.71796
 29 O    -0.00000    0.04743   -1.38865
 30 O     0.00000   -0.00459    1.83140
 31 Pt   -0.00000    0.01885    0.50981
 32 Pt    0.00000   -0.14696    0.57465
 33 O    -1.61381   -0.01890    0.06998
 34 O     1.61381   -0.01890    0.06998
 35 O     0.00000   -0.03256   -0.52457
 36 O    -0.00000    0.19580   -0.11200
 37 Pt    0.00000   -0.26945   -0.04062
 38 Pt    0.00000   -0.00365   -0.01161
 39 O     0.01112    0.01175    0.01589
 40 O    -0.01112    0.01175    0.01589
 41 O     0.00000    0.00401   -0.01110
 42 O    -0.00000    0.02986   -0.01435
 43 Pt    0.00000   -0.00159    0.07272
 44 Pt    0.00000   -0.07803    0.03191
 45 O    -0.18659   -0.34404    0.20140
 46 O     0.18659   -0.34404    0.20140
 47 O     0.00000   -0.02496   -0.04159
 48 O    -0.00000    0.02218    1.17199
 49 Pt    0.00000   -0.02275   -0.37847
 50 Pt   -0.00000    0.02120   -0.43612
 51 O    -1.69126   -0.01394   -0.71828
 52 O     1.69126   -0.01394   -0.71828
 53 O     0.00000   -0.01343   -1.40492
 54 O     0.00000   -0.00191    1.77425
 55 Pt    0.00000   -0.01213    0.51517
 56 Pt   -0.00000    0.12928    0.64996
 57 O    -1.61366    0.01377    0.09182
 58 O     1.61366    0.01377    0.09182
 59 O     0.00000   -0.02119   -0.51597
 60 O     0.00000   -0.18697   -0.10990
 61 Pt   -0.00000    0.00990   -0.08092
 62 Pt   -0.00000    0.01753   -0.00623
 63 O    -0.01304   -0.00794    0.00295
 64 O     0.01304   -0.00794    0.00295
 65 O     0.00000   -0.00260   -0.00063
 66 O     0.00000   -0.00777   -0.00218
 67 Pt   -0.00000    0.00711    0.02339
 68 Pt   -0.00000    0.15619    0.01086
 69 O    -0.00775   -0.00439   -0.02018
 70 O     0.00775   -0.00439   -0.02018
 71 O    -0.00000    0.00803   -0.03943
 72 N    -0.00000    1.14410    1.14633
 73 N     0.00000   -1.18293   -0.93562

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    2.873782   24.524985    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.963023   23.849062    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:45:42  -2.14   +inf  -416.783360    36     1      
iter:   2  03:47:47  -1.64  -1.95  -451.145026    3      1      
iter:   3  03:49:51  -2.12  -1.36  -414.769699    36     1      
iter:   4  03:51:54  -2.66  -2.27  -414.408394    3      1      
iter:   5  03:53:54  -3.19  -2.58  -414.302509    3      1      
iter:   6  03:55:55  -3.42  -2.80  -414.250853    4      1      
iter:   7  03:57:57  -3.77  -3.12  -414.250118    3      1      
iter:   8  04:00:00  -3.72  -2.90  -414.199279    4      1      
iter:   9  04:01:58  -3.34  -3.29  -414.183806    4      1      
iter:  10  04:03:49  -3.73  -3.36  -414.177975    3      1      
iter:  11  04:05:40  -4.18  -3.44  -414.178265    3      1      
iter:  12  04:07:30  -4.82  -3.45  -414.178410    3      1      
iter:  13  04:09:19  -4.80  -3.38  -414.177196    3      1      
iter:  14  04:11:08  -4.98  -3.48  -414.178099    2      1      
iter:  15  04:12:57  -5.23  -3.73  -414.177230    3      1      
iter:  16  04:14:46  -5.04  -3.72  -414.177475    3      1      
iter:  17  04:16:35  -4.91  -3.66  -414.176184    3      1      
iter:  18  04:18:24  -5.25  -3.86  -414.175861    3      1      
iter:  19  04:20:13  -5.92  -3.98  -414.175845    2      1      
iter:  20  04:22:02  -6.18  -4.08  -414.175413    2      1      
iter:  21  04:23:50  -6.66  -4.36  -414.175802    2      1      
iter:  22  04:25:40  -6.64  -4.33  -414.175515    2      1      
iter:  23  04:27:30  -6.55  -4.45  -414.175554    2      1      
iter:  24  04:29:09  -6.92  -4.70  -414.175535    2      1      
iter:  25  04:30:48  -7.10  -4.81  -414.175537    2      1      
iter:  26  04:32:26  -7.06  -4.61  -414.175498    2      1      
iter:  27  04:34:05  -7.72  -5.04  -414.175476    2      1      

Converged after 27 iterations.

Dipole moment: (-55.962587, -32.642247, 0.089808) |e|*Ang

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

Kinetic:        +13.985686
Potential:     -133.569150
External:        +0.000000
XC:            -304.318134
Entropy (-ST):   -1.563960
Local:          +10.508102
--------------------------
Free energy:   -414.957457
Extrapolated:  -414.175476

Fermi level: -6.45922

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53075    0.14924
  0   340     -6.51393    0.14077
  0   341     -6.51274    0.14015
  0   342     -6.48359    0.12458

  1   339     -6.43449    0.19488
  1   340     -6.38551    0.14384
  1   341     -6.34940    0.11114
  1   342     -6.34188    0.10499



Forces in eV/Ang:
  0 O     0.00000   -0.01749    1.17432
  1 Pt    0.00000   -0.00131   -0.37532
  2 Pt    0.00000   -0.01909   -0.43429
  3 O    -1.68296    0.00017   -0.71848
  4 O     1.68296    0.00017   -0.71848
  5 O     0.00000   -0.01122   -1.38939
  6 O     0.00000   -0.00273    1.76892
  7 Pt   -0.00000    0.01421    0.45148
  8 Pt    0.00000   -0.04101    0.76031
  9 O    -1.58122    0.00048    0.05128
 10 O     1.58122    0.00048    0.05128
 11 O     0.00000   -0.00882   -0.56567
 12 O    -0.00000    0.00860    0.12372
 13 Pt   -0.00000    0.24297   -0.03359
 14 Pt    0.00000   -0.02077    0.00616
 15 O     0.00006    0.01076    0.00366
 16 O    -0.00006    0.01076    0.00366
 17 O    -0.00000    0.01350   -0.89712
 18 O     0.00000    0.00033    0.02513
 19 Pt    0.00000   -0.02862    0.09194
 20 Pt    0.00000   -0.06022    0.14772
 21 O    -0.19541    0.34903    0.20040
 22 O     0.19541    0.34903    0.20040
 23 O     0.00000   -0.01529   -0.08002
 24 O     0.00000   -0.00072    1.15042
 25 Pt   -0.00000    0.01589   -0.37810
 26 Pt    0.00000   -0.00016   -0.43421
 27 O    -1.69148    0.01343   -0.71783
 28 O     1.69148    0.01343   -0.71783
 29 O    -0.00000    0.04735   -1.38852
 30 O     0.00000   -0.00453    1.83364
 31 Pt   -0.00000    0.01888    0.51139
 32 Pt    0.00000   -0.14668    0.57543
 33 O    -1.61402   -0.01899    0.07036
 34 O     1.61402   -0.01899    0.07036
 35 O     0.00000   -0.03251   -0.52436
 36 O    -0.00000    0.19673   -0.11175
 37 Pt    0.00000   -0.27407   -0.03960
 38 Pt    0.00000   -0.00362   -0.01152
 39 O     0.01064    0.01166    0.01585
 40 O    -0.01064    0.01166    0.01585
 41 O    -0.00000    0.00411   -0.00903
 42 O    -0.00000    0.03038   -0.01462
 43 Pt    0.00000   -0.00302    0.07098
 44 Pt    0.00000   -0.08361    0.03023
 45 O    -0.18610   -0.34312    0.19436
 46 O     0.18610   -0.34312    0.19436
 47 O     0.00000   -0.02278   -0.04718
 48 O    -0.00000    0.02215    1.17240
 49 Pt    0.00000   -0.02272   -0.37748
 50 Pt   -0.00000    0.02116   -0.43592
 51 O    -1.69075   -0.01393   -0.71814
 52 O     1.69075   -0.01393   -0.71814
 53 O     0.00000   -0.01331   -1.40500
 54 O     0.00000   -0.00197    1.77638
 55 Pt    0.00000   -0.01212    0.51675
 56 Pt   -0.00000    0.12880    0.65114
 57 O    -1.61386    0.01376    0.09218
 58 O     1.61386    0.01376    0.09218
 59 O     0.00000   -0.02124   -0.51579
 60 O     0.00000   -0.18860   -0.11031
 61 Pt   -0.00000    0.01024   -0.08105
 62 Pt   -0.00000    0.01754   -0.00606
 63 O    -0.01345   -0.00792    0.00299
 64 O     0.01345   -0.00792    0.00299
 65 O     0.00000   -0.00270    0.00042
 66 O     0.00000   -0.00843   -0.00262
 67 Pt   -0.00000    0.00677    0.02094
 68 Pt   -0.00000    0.15673    0.00712
 69 O    -0.00829   -0.00400   -0.02204
 70 O     0.00829   -0.00400   -0.02204
 71 O    -0.00000    0.00702   -0.04367
 72 N     0.00000   -2.90122   -1.98287
 73 N    -0.00000    2.85531    2.10478

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    2.857149   24.526353    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.979149   23.854335    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:38:07  -2.48   +inf  -415.834328    32     1      
iter:   2  04:39:56  -1.78  -2.05  -438.515240    37     1      
iter:   3  04:41:45  -2.16  -1.47  -414.720675    37     1      
iter:   4  04:43:33  -2.86  -2.27  -414.527360    4      1      
iter:   5  04:45:22  -3.45  -2.45  -414.312845    3      1      
iter:   6  04:47:12  -3.70  -2.81  -414.279038    3      1      
iter:   7  04:49:03  -3.78  -3.08  -414.263886    3      1      
iter:   8  04:50:52  -4.11  -2.98  -414.253221    3      1      
iter:   9  04:52:41  -4.24  -3.25  -414.242215    3      1      
iter:  10  04:54:32  -3.88  -3.37  -414.237690    3      1      
iter:  11  04:56:22  -4.16  -3.46  -414.232443    3      1      
iter:  12  04:58:11  -4.42  -3.51  -414.232535    3      1      
iter:  13  05:00:00  -4.81  -3.67  -414.231852    3      1      
iter:  14  05:01:48  -5.01  -3.73  -414.230935    3      1      
iter:  15  05:03:37  -5.46  -3.54  -414.230656    2      1      
iter:  16  05:05:26  -5.48  -3.83  -414.229794    3      1      
iter:  17  05:07:15  -5.66  -3.93  -414.231429    2      1      
iter:  18  05:09:04  -5.73  -3.83  -414.229952    3      1      
iter:  19  05:10:54  -5.92  -4.23  -414.230051    3      1      
iter:  20  05:12:43  -6.17  -4.23  -414.230103    2      1      
iter:  21  05:14:32  -6.65  -4.42  -414.230049    2      1      
iter:  22  05:16:21  -6.66  -4.32  -414.230164    2      1      
iter:  23  05:18:00  -7.23  -4.71  -414.230040    2      1      
iter:  24  05:19:38  -7.47  -4.75  -414.230156    2      1      

Converged after 24 iterations.

Dipole moment: (-55.962185, -32.646390, 0.093200) |e|*Ang

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

Kinetic:        +18.367396
Potential:     -137.091264
External:        +0.000000
XC:            -305.239090
Entropy (-ST):   -1.563339
Local:          +10.514472
--------------------------
Free energy:   -415.011826
Extrapolated:  -414.230156

Fermi level: -6.45639

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52828    0.14941
  0   340     -6.51100    0.14072
  0   341     -6.50978    0.14008
  0   342     -6.48089    0.12465

  1   339     -6.43155    0.19476
  1   340     -6.38262    0.14378
  1   341     -6.34651    0.11109
  1   342     -6.33881    0.10480



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17390
  1 Pt    0.00000   -0.00128   -0.37674
  2 Pt    0.00000   -0.01908   -0.43548
  3 O    -1.68456    0.00018   -0.71865
  4 O     1.68456    0.00018   -0.71865
  5 O     0.00000   -0.01121   -1.38940
  6 O     0.00000   -0.00277    1.76431
  7 Pt   -0.00000    0.01427    0.45057
  8 Pt    0.00000   -0.04118    0.76065
  9 O    -1.58117    0.00046    0.05103
 10 O     1.58117    0.00046    0.05103
 11 O     0.00000   -0.00881   -0.56534
 12 O    -0.00000    0.00854    0.12416
 13 Pt   -0.00000    0.23954   -0.03464
 14 Pt    0.00000   -0.02061    0.00619
 15 O     0.00048    0.01080    0.00406
 16 O    -0.00048    0.01080    0.00406
 17 O    -0.00000    0.01224   -0.89026
 18 O     0.00000    0.00040    0.02651
 19 Pt    0.00000   -0.02808    0.09527
 20 Pt    0.00000   -0.06588    0.10658
 21 O    -0.19528    0.35062    0.20580
 22 O     0.19528    0.35062    0.20580
 23 O     0.00000   -0.01334   -0.07383
 24 O     0.00000   -0.00072    1.15002
 25 Pt   -0.00000    0.01590   -0.37952
 26 Pt    0.00000   -0.00019   -0.43532
 27 O    -1.69309    0.01344   -0.71801
 28 O     1.69309    0.01344   -0.71801
 29 O    -0.00000    0.04740   -1.38864
 30 O     0.00000   -0.00447    1.82902
 31 Pt   -0.00000    0.01882    0.51051
 32 Pt    0.00000   -0.14672    0.57554
 33 O    -1.61393   -0.01895    0.07013
 34 O     1.61393   -0.01895    0.07013
 35 O     0.00000   -0.03249   -0.52402
 36 O    -0.00000    0.19626   -0.11169
 37 Pt    0.00000   -0.27040   -0.04071
 38 Pt    0.00000   -0.00376   -0.01112
 39 O     0.01108    0.01160    0.01626
 40 O    -0.01108    0.01160    0.01626
 41 O    -0.00000    0.00417   -0.01076
 42 O    -0.00000    0.03030   -0.01316
 43 Pt    0.00000   -0.00306    0.07503
 44 Pt    0.00000   -0.07821    0.02913
 45 O    -0.18771   -0.34507    0.20406
 46 O     0.18771   -0.34507    0.20406
 47 O     0.00000   -0.02554   -0.04287
 48 O    -0.00000    0.02219    1.17201
 49 Pt    0.00000   -0.02274   -0.37890
 50 Pt   -0.00000    0.02119   -0.43705
 51 O    -1.69233   -0.01394   -0.71832
 52 O     1.69233   -0.01394   -0.71832
 53 O     0.00000   -0.01336   -1.40497
 54 O     0.00000   -0.00202    1.77184
 55 Pt    0.00000   -0.01214    0.51579
 56 Pt   -0.00000    0.12902    0.65089
 57 O    -1.61379    0.01376    0.09197
 58 O     1.61379    0.01376    0.09197
 59 O     0.00000   -0.02126   -0.51543
 60 O     0.00000   -0.18773   -0.10974
 61 Pt   -0.00000    0.00996   -0.08047
 62 Pt   -0.00000    0.01760   -0.00567
 63 O    -0.01281   -0.00794    0.00330
 64 O     0.01281   -0.00794    0.00330
 65 O     0.00000   -0.00270   -0.00036
 66 O     0.00000   -0.00819   -0.00081
 67 Pt   -0.00000    0.00668    0.02407
 68 Pt   -0.00000    0.15530    0.00920
 69 O    -0.00800   -0.00463   -0.02118
 70 O     0.00800   -0.00463   -0.02118
 71 O    -0.00000    0.00790   -0.04096
 72 N     0.00000   -0.07625    0.19997
 73 N    -0.00000    0.11505    0.00791

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    2.855123   24.531241    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.981682   23.856956    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:27:17  -3.97   +inf  -414.278087    3      1      
iter:   2  05:29:08  -3.29  -2.79  -415.491717    3      1      
iter:   3  05:30:59  -3.58  -2.06  -414.232185    3      1      
iter:   4  05:32:49  -4.39  -3.57  -414.233999    3      1      
iter:   5  05:34:40  -4.96  -3.85  -414.231841    3      1      
iter:   6  05:36:30  -5.27  -3.96  -414.231107    2      1      
iter:   7  05:38:18  -5.50  -4.15  -414.231113    3      1      
iter:   8  05:40:07  -5.62  -4.39  -414.231160    3      1      
iter:   9  05:41:55  -5.88  -4.51  -414.231364    2      1      
iter:  10  05:43:43  -6.77  -4.20  -414.231369    2      1      
iter:  11  05:45:32  -6.96  -4.67  -414.231157    2      1      
iter:  12  05:47:12  -7.19  -4.72  -414.231293    2      1      
iter:  13  05:48:50  -7.28  -4.87  -414.231230    2      1      
iter:  14  05:50:29  -7.37  -4.97  -414.231243    2      1      
iter:  15  05:52:07  -7.64  -5.07  -414.231218    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962561, -32.647775, 0.094382) |e|*Ang

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

Kinetic:        +18.752967
Potential:     -137.411654
External:        +0.000000
XC:            -305.304699
Entropy (-ST):   -1.563417
Local:          +10.513877
--------------------------
Free energy:   -415.012927
Extrapolated:  -414.231218

Fermi level: -6.45568

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52758    0.14942
  0   340     -6.51026    0.14070
  0   341     -6.50902    0.14006
  0   342     -6.48022    0.12467

  1   339     -6.43085    0.19477
  1   340     -6.38187    0.14374
  1   341     -6.34579    0.11109
  1   342     -6.33814    0.10483



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17411
  1 Pt    0.00000   -0.00131   -0.37656
  2 Pt    0.00000   -0.01908   -0.43492
  3 O    -1.68396    0.00017   -0.71878
  4 O     1.68396    0.00017   -0.71878
  5 O     0.00000   -0.01119   -1.38960
  6 O     0.00000   -0.00273    1.76591
  7 Pt   -0.00000    0.01421    0.44991
  8 Pt    0.00000   -0.04119    0.76021
  9 O    -1.58112    0.00042    0.05086
 10 O     1.58112    0.00042    0.05086
 11 O     0.00000   -0.00882   -0.56604
 12 O    -0.00000    0.00847    0.12342
 13 Pt   -0.00000    0.23993   -0.03536
 14 Pt    0.00000   -0.02066    0.00525
 15 O     0.00065    0.01069    0.00331
 16 O    -0.00065    0.01069    0.00331
 17 O    -0.00000    0.01185   -0.89067
 18 O     0.00000    0.00035    0.02574
 19 Pt    0.00000   -0.02925    0.09320
 20 Pt    0.00000   -0.06378    0.11844
 21 O    -0.19557    0.35019    0.20584
 22 O     0.19557    0.35019    0.20584
 23 O     0.00000   -0.01421   -0.07354
 24 O     0.00000   -0.00071    1.15021
 25 Pt   -0.00000    0.01593   -0.37933
 26 Pt    0.00000   -0.00020   -0.43475
 27 O    -1.69248    0.01344   -0.71814
 28 O     1.69248    0.01344   -0.71814
 29 O    -0.00000    0.04738   -1.38880
 30 O     0.00000   -0.00455    1.83070
 31 Pt   -0.00000    0.01887    0.50984
 32 Pt    0.00000   -0.14679    0.57514
 33 O    -1.61388   -0.01892    0.06997
 34 O     1.61388   -0.01892    0.06997
 35 O     0.00000   -0.03253   -0.52467
 36 O    -0.00000    0.19608   -0.11223
 37 Pt    0.00000   -0.27070   -0.04141
 38 Pt    0.00000   -0.00368   -0.01221
 39 O     0.01131    0.01171    0.01545
 40 O    -0.01131    0.01171    0.01545
 41 O    -0.00000    0.00407   -0.01164
 42 O    -0.00000    0.02998   -0.01395
 43 Pt    0.00000   -0.00217    0.07249
 44 Pt    0.00000   -0.07893    0.03122
 45 O    -0.18701   -0.34468    0.20235
 46 O     0.18701   -0.34468    0.20235
 47 O     0.00000   -0.02456   -0.04265
 48 O    -0.00000    0.02218    1.17220
 49 Pt    0.00000   -0.02275   -0.37872
 50 Pt   -0.00000    0.02120   -0.43650
 51 O    -1.69172   -0.01393   -0.71846
 52 O     1.69172   -0.01393   -0.71846
 53 O     0.00000   -0.01337   -1.40509
 54 O     0.00000   -0.00197    1.77353
 55 Pt    0.00000   -0.01213    0.51517
 56 Pt   -0.00000    0.12908    0.65048
 57 O    -1.61372    0.01377    0.09178
 58 O     1.61372    0.01377    0.09178
 59 O     0.00000   -0.02123   -0.51608
 60 O     0.00000   -0.18742   -0.11023
 61 Pt   -0.00000    0.00994   -0.08170
 62 Pt   -0.00000    0.01755   -0.00683
 63 O    -0.01290   -0.00793    0.00253
 64 O     0.01290   -0.00793    0.00253
 65 O     0.00000   -0.00255   -0.00143
 66 O     0.00000   -0.00788   -0.00184
 67 Pt   -0.00000    0.00704    0.02273
 68 Pt   -0.00000    0.15590    0.00968
 69 O    -0.00808   -0.00436   -0.01998
 70 O     0.00808   -0.00436   -0.01998
 71 O    -0.00000    0.00782   -0.04036
 72 N    -0.00000    0.13304    0.34105
 73 N     0.00000   -0.13258   -0.15964

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                     Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  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    2.853118   24.542820    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.984609   23.861949    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:57:12  -3.49   +inf  -414.249945    3      1      
iter:   2  05:59:01  -3.61  -2.98  -414.736833    2      1      
iter:   3  06:00:49  -3.91  -2.25  -414.235559    3      1      
iter:   4  06:02:37  -4.69  -3.92  -414.233497    3      1      
iter:   5  06:04:26  -5.15  -4.07  -414.234256    3      1      
iter:   6  06:06:15  -5.28  -4.19  -414.232886    2      1      
iter:   7  06:08:05  -5.74  -4.32  -414.233350    2      1      
iter:   8  06:09:56  -5.98  -4.55  -414.233331    2      1      
iter:   9  06:11:47  -6.36  -4.42  -414.233344    2      1      
iter:  10  06:13:38  -6.76  -4.43  -414.233733    2      1      
iter:  11  06:15:30  -6.64  -4.46  -414.233142    2      1      
iter:  12  06:17:21  -6.89  -4.78  -414.233313    2      1      
iter:  13  06:18:59  -7.14  -5.02  -414.233327    2      1      
iter:  14  06:20:37  -7.61  -5.23  -414.233353    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962549, -32.647836, 0.093865) |e|*Ang

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

Kinetic:        +18.715139
Potential:     -137.385432
External:        +0.000000
XC:            -305.294060
Entropy (-ST):   -1.563328
Local:          +10.512664
--------------------------
Free energy:   -415.015017
Extrapolated:  -414.233353

Fermi level: -6.45578

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52734    0.14925
  0   340     -6.51055    0.14080
  0   341     -6.50935    0.14018
  0   342     -6.48024    0.12463

  1   339     -6.43105    0.19489
  1   340     -6.38213    0.14390
  1   341     -6.34591    0.11111
  1   342     -6.33826    0.10485



Forces in eV/Ang:
  0 O     0.00000   -0.01755    1.17402
  1 Pt    0.00000   -0.00132   -0.37603
  2 Pt    0.00000   -0.01910   -0.43449
  3 O    -1.68293    0.00017   -0.71865
  4 O     1.68293    0.00017   -0.71865
  5 O     0.00000   -0.01118   -1.38956
  6 O     0.00000   -0.00273    1.76976
  7 Pt   -0.00000    0.01422    0.45171
  8 Pt    0.00000   -0.04120    0.76142
  9 O    -1.58090    0.00046    0.05134
 10 O     1.58090    0.00046    0.05134
 11 O     0.00000   -0.00881   -0.56523
 12 O    -0.00000    0.00840    0.12379
 13 Pt   -0.00000    0.24035   -0.03324
 14 Pt    0.00000   -0.02060    0.00641
 15 O     0.00039    0.01073    0.00392
 16 O    -0.00039    0.01073    0.00392
 17 O    -0.00000    0.01124   -0.88719
 18 O    -0.00000    0.00053    0.02544
 19 Pt    0.00000   -0.02915    0.09277
 20 Pt    0.00000   -0.06060    0.12171
 21 O    -0.19684    0.35133    0.20477
 22 O     0.19684    0.35133    0.20477
 23 O     0.00000   -0.01441   -0.07354
 24 O     0.00000   -0.00070    1.15011
 25 Pt   -0.00000    0.01596   -0.37878
 26 Pt    0.00000   -0.00018   -0.43432
 27 O    -1.69144    0.01344   -0.71800
 28 O     1.69144    0.01344   -0.71800
 29 O    -0.00000    0.04735   -1.38881
 30 O     0.00000   -0.00453    1.83454
 31 Pt   -0.00000    0.01888    0.51165
 32 Pt    0.00000   -0.14674    0.57655
 33 O    -1.61367   -0.01893    0.07045
 34 O     1.61367   -0.01893    0.07045
 35 O     0.00000   -0.03252   -0.52382
 36 O    -0.00000    0.19639   -0.11204
 37 Pt    0.00000   -0.27101   -0.03924
 38 Pt    0.00000   -0.00377   -0.01125
 39 O     0.01104    0.01166    0.01622
 40 O    -0.01104    0.01166    0.01622
 41 O    -0.00000    0.00426   -0.00636
 42 O    -0.00000    0.02979   -0.01430
 43 Pt    0.00000   -0.00249    0.07256
 44 Pt    0.00000   -0.07960    0.03058
 45 O    -0.18822   -0.34603    0.20155
 46 O     0.18822   -0.34603    0.20155
 47 O     0.00000   -0.02427   -0.04313
 48 O    -0.00000    0.02218    1.17210
 49 Pt    0.00000   -0.02276   -0.37820
 50 Pt   -0.00000    0.02119   -0.43609
 51 O    -1.69070   -0.01393   -0.71832
 52 O     1.69070   -0.01393   -0.71832
 53 O     0.00000   -0.01334   -1.40508
 54 O     0.00000   -0.00198    1.77730
 55 Pt    0.00000   -0.01215    0.51701
 56 Pt   -0.00000    0.12903    0.65187
 57 O    -1.61347    0.01375    0.09225
 58 O     1.61347    0.01375    0.09225
 59 O     0.00000   -0.02125   -0.51521
 60 O     0.00000   -0.18763   -0.10991
 61 Pt   -0.00000    0.00995   -0.07978
 62 Pt   -0.00000    0.01759   -0.00588
 63 O    -0.01307   -0.00793    0.00304
 64 O     0.01307   -0.00793    0.00304
 65 O     0.00000   -0.00259    0.00331
 66 O     0.00000   -0.00786   -0.00222
 67 Pt   -0.00000    0.00725    0.02177
 68 Pt   -0.00000    0.15583    0.00751
 69 O    -0.00904   -0.00424   -0.02187
 70 O     0.00904   -0.00424   -0.02187
 71 O    -0.00000    0.00773   -0.04121
 72 N    -0.00000    0.14903    0.25309
 73 N     0.00000   -0.12646   -0.13282

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                     Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  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    2.847884   24.574976    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.992251   23.877192    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:29:34  -2.61   +inf  -414.247825    3      1      
iter:   2  06:31:23  -3.27  -2.99  -414.690913    3      1      
iter:   3  06:33:12  -3.69  -2.28  -414.241713    2      1      
iter:   4  06:35:00  -4.20  -3.63  -414.237233    3      1      
iter:   5  06:36:50  -4.37  -3.71  -414.238785    3      1      
iter:   6  06:38:40  -4.57  -3.61  -414.237437    2      1      
iter:   7  06:40:31  -5.19  -4.12  -414.237430    2      1      
iter:   8  06:42:23  -5.33  -4.30  -414.237410    3      1      
iter:   9  06:44:14  -5.40  -4.35  -414.237159    2      1      
iter:  10  06:46:05  -6.03  -4.44  -414.237652    2      1      
iter:  11  06:47:57  -6.43  -4.43  -414.237238    2      1      
iter:  12  06:49:49  -6.68  -4.62  -414.237629    2      1      
iter:  13  06:51:40  -6.80  -4.45  -414.237471    2      1      
iter:  14  06:53:31  -7.18  -4.43  -414.237500    2      1      
iter:  15  06:55:22  -7.08  -4.90  -414.237470    2      1      
iter:  16  06:57:12  -7.58  -5.12  -414.237404    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962583, -32.646625, 0.092109) |e|*Ang

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

Kinetic:        +18.651080
Potential:     -137.354945
External:        +0.000000
XC:            -305.264070
Entropy (-ST):   -1.563430
Local:          +10.512245
--------------------------
Free energy:   -415.019119
Extrapolated:  -414.237404

Fermi level: -6.45739

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52913    0.14934
  0   340     -6.51205    0.14074
  0   341     -6.51084    0.14012
  0   342     -6.48209    0.12476

  1   339     -6.43264    0.19485
  1   340     -6.38361    0.14377
  1   341     -6.34761    0.11117
  1   342     -6.34022    0.10513



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17413
  1 Pt    0.00000   -0.00137   -0.37578
  2 Pt    0.00000   -0.01904   -0.43469
  3 O    -1.68299    0.00018   -0.71862
  4 O     1.68299    0.00018   -0.71862
  5 O     0.00000   -0.01116   -1.38978
  6 O     0.00000   -0.00284    1.76806
  7 Pt   -0.00000    0.01425    0.45078
  8 Pt    0.00000   -0.04140    0.76030
  9 O    -1.58136    0.00042    0.05115
 10 O     1.58136    0.00042    0.05115
 11 O     0.00000   -0.00886   -0.56604
 12 O    -0.00000    0.00843    0.12369
 13 Pt   -0.00000    0.24172   -0.03481
 14 Pt    0.00000   -0.02039    0.00550
 15 O     0.00017    0.01076    0.00388
 16 O    -0.00017    0.01076    0.00388
 17 O    -0.00000    0.01010   -0.89499
 18 O    -0.00000    0.00061    0.02549
 19 Pt    0.00000   -0.02909    0.09266
 20 Pt    0.00000   -0.05885    0.11220
 21 O    -0.19785    0.35351    0.20662
 22 O     0.19785    0.35351    0.20662
 23 O     0.00000   -0.01574   -0.07395
 24 O     0.00000   -0.00071    1.15021
 25 Pt   -0.00000    0.01603   -0.37861
 26 Pt    0.00000   -0.00020   -0.43461
 27 O    -1.69155    0.01347   -0.71801
 28 O     1.69155    0.01347   -0.71801
 29 O    -0.00000    0.04729   -1.38937
 30 O     0.00000   -0.00450    1.83252
 31 Pt   -0.00000    0.01880    0.51076
 32 Pt    0.00000   -0.14643    0.57596
 33 O    -1.61402   -0.01896    0.07028
 34 O     1.61402   -0.01896    0.07028
 35 O     0.00000   -0.03253   -0.52460
 36 O    -0.00000    0.19740   -0.11327
 37 Pt    0.00000   -0.27214   -0.04098
 38 Pt    0.00000   -0.00380   -0.01177
 39 O     0.01079    0.01174    0.01623
 40 O    -0.01079    0.01174    0.01623
 41 O    -0.00000    0.00412   -0.01126
 42 O    -0.00000    0.03027   -0.01442
 43 Pt    0.00000   -0.00247    0.06980
 44 Pt    0.00000   -0.07786    0.02347
 45 O    -0.18874   -0.34869    0.20148
 46 O     0.18874   -0.34869    0.20148
 47 O     0.00000   -0.02324   -0.04404
 48 O    -0.00000    0.02218    1.17223
 49 Pt    0.00000   -0.02278   -0.37800
 50 Pt   -0.00000    0.02116   -0.43629
 51 O    -1.69079   -0.01397   -0.71831
 52 O     1.69079   -0.01397   -0.71831
 53 O     0.00000   -0.01329   -1.40540
 54 O     0.00000   -0.00191    1.77571
 55 Pt    0.00000   -0.01211    0.51607
 56 Pt   -0.00000    0.12891    0.65098
 57 O    -1.61389    0.01383    0.09199
 58 O     1.61389    0.01383    0.09199
 59 O     0.00000   -0.02118   -0.51618
 60 O     0.00000   -0.18861   -0.11101
 61 Pt   -0.00000    0.01003   -0.08183
 62 Pt   -0.00000    0.01743   -0.00654
 63 O    -0.01352   -0.00805    0.00302
 64 O     0.01352   -0.00805    0.00302
 65 O     0.00000   -0.00236   -0.00057
 66 O     0.00000   -0.00838   -0.00228
 67 Pt   -0.00000    0.00736    0.01968
 68 Pt   -0.00000    0.15555    0.00680
 69 O    -0.00854   -0.00410   -0.02250
 70 O     0.00854   -0.00410   -0.02250
 71 O    -0.00000    0.00788   -0.04105
 72 N    -0.00000    0.09696    0.23697
 73 N     0.00000   -0.17640   -0.05274

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                     Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  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    2.842178   24.607734    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.999035   23.893357    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:11:31  -2.60   +inf  -414.242429    3      1      
iter:   2  07:13:21  -3.44  -3.69  -414.250335    3      1      
iter:   3  07:15:11  -3.93  -3.26  -414.245887    3      1      
iter:   4  07:16:59  -4.27  -3.47  -414.243026    3      1      
iter:   5  07:18:47  -4.31  -3.52  -414.244502    3      1      
iter:   6  07:20:36  -4.63  -3.96  -414.243373    2      1      
iter:   7  07:22:24  -5.20  -4.28  -414.243455    2      1      
iter:   8  07:24:13  -5.25  -4.14  -414.242958    2      1      
iter:   9  07:26:03  -5.73  -4.39  -414.243211    2      1      
iter:  10  07:27:54  -6.12  -4.13  -414.243419    2      1      
iter:  11  07:29:44  -6.49  -4.31  -414.242946    2      1      
iter:  12  07:31:33  -7.04  -4.59  -414.243170    2      1      
iter:  13  07:33:22  -6.89  -4.77  -414.243103    2      1      
iter:  14  07:35:10  -6.75  -4.91  -414.243178    2      1      
iter:  15  07:36:59  -7.14  -4.80  -414.243105    2      1      
iter:  16  07:38:45  -7.51  -4.60  -414.243099    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962604, -32.645370, 0.089955) |e|*Ang

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

Kinetic:        +18.471806
Potential:     -137.230277
External:        +0.000000
XC:            -305.214633
Entropy (-ST):   -1.563458
Local:          +10.511734
--------------------------
Free energy:   -415.024828
Extrapolated:  -414.243099

Fermi level: -6.45897

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53045    0.14922
  0   340     -6.51370    0.14078
  0   341     -6.51251    0.14017
  0   342     -6.48373    0.12480

  1   339     -6.43426    0.19491
  1   340     -6.38523    0.14381
  1   341     -6.34923    0.11121
  1   342     -6.34210    0.10537



Forces in eV/Ang:
  0 O     0.00000   -0.01752    1.17405
  1 Pt    0.00000   -0.00141   -0.37563
  2 Pt    0.00000   -0.01903   -0.43421
  3 O    -1.68259    0.00019   -0.71863
  4 O     1.68259    0.00019   -0.71863
  5 O     0.00000   -0.01118   -1.38979
  6 O     0.00000   -0.00289    1.77031
  7 Pt   -0.00000    0.01426    0.45166
  8 Pt    0.00000   -0.04153    0.76127
  9 O    -1.58125    0.00041    0.05137
 10 O     1.58125    0.00041    0.05137
 11 O     0.00000   -0.00891   -0.56594
 12 O    -0.00000    0.00841    0.12420
 13 Pt   -0.00000    0.24314   -0.03452
 14 Pt    0.00000   -0.02028    0.00597
 15 O     0.00029    0.01087    0.00395
 16 O    -0.00029    0.01087    0.00395
 17 O    -0.00000    0.00886   -0.90083
 18 O    -0.00000    0.00070    0.02576
 19 Pt    0.00000   -0.02844    0.09335
 20 Pt    0.00000   -0.05370    0.11200
 21 O    -0.19886    0.35579    0.20864
 22 O     0.19886    0.35579    0.20864
 23 O     0.00000   -0.01551   -0.07462
 24 O     0.00000   -0.00073    1.15013
 25 Pt   -0.00000    0.01612   -0.37852
 26 Pt    0.00000   -0.00022   -0.43413
 27 O    -1.69115    0.01346   -0.71801
 28 O     1.69115    0.01346   -0.71801
 29 O    -0.00000    0.04722   -1.38957
 30 O     0.00000   -0.00441    1.83485
 31 Pt   -0.00000    0.01877    0.51174
 32 Pt    0.00000   -0.14607    0.57743
 33 O    -1.61386   -0.01898    0.07053
 34 O     1.61386   -0.01898    0.07053
 35 O     0.00000   -0.03249   -0.52454
 36 O    -0.00000    0.19843   -0.11383
 37 Pt    0.00000   -0.27336   -0.04098
 38 Pt    0.00000   -0.00391   -0.01137
 39 O     0.01089    0.01163    0.01623
 40 O    -0.01089    0.01163    0.01623
 41 O    -0.00000    0.00446   -0.00952
 42 O    -0.00000    0.03053   -0.01459
 43 Pt    0.00000   -0.00314    0.07208
 44 Pt    0.00000   -0.07885    0.02503
 45 O    -0.19079   -0.35154    0.20572
 46 O     0.19079   -0.35154    0.20572
 47 O     0.00000   -0.02344   -0.04409
 48 O    -0.00000    0.02218    1.17214
 49 Pt    0.00000   -0.02283   -0.37786
 50 Pt   -0.00000    0.02116   -0.43581
 51 O    -1.69039   -0.01397   -0.71831
 52 O     1.69039   -0.01397   -0.71831
 53 O     0.00000   -0.01318   -1.40546
 54 O     0.00000   -0.00195    1.77807
 55 Pt    0.00000   -0.01208    0.51696
 56 Pt   -0.00000    0.12865    0.65222
 57 O    -1.61378    0.01387    0.09218
 58 O     1.61378    0.01387    0.09218
 59 O     0.00000   -0.02118   -0.51608
 60 O     0.00000   -0.18957   -0.11127
 61 Pt   -0.00000    0.01005   -0.08165
 62 Pt   -0.00000    0.01743   -0.00612
 63 O    -0.01331   -0.00807    0.00296
 64 O     0.01331   -0.00807    0.00296
 65 O     0.00000   -0.00233    0.00105
 66 O     0.00000   -0.00865   -0.00241
 67 Pt   -0.00000    0.00746    0.01966
 68 Pt   -0.00000    0.15523    0.00655
 69 O    -0.00886   -0.00416   -0.02254
 70 O     0.00886   -0.00416   -0.02254
 71 O    -0.00000    0.00781   -0.04144
 72 N     0.00000   -0.04851    0.13200
 73 N     0.00000   -0.01413    0.02912

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                     Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  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    2.836314   24.639977    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.006336   23.909048    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:58:23  -2.61   +inf  -414.256053    3      1      
iter:   2  08:00:11  -3.30  -3.04  -414.602304    2      1      
iter:   3  08:02:00  -3.69  -2.33  -414.247743    2      1      
iter:   4  08:03:50  -4.14  -3.67  -414.247784    3      1      
iter:   5  08:05:40  -4.22  -3.80  -414.243573    3      1      
iter:   6  08:07:31  -4.56  -3.69  -414.246262    3      1      
iter:   7  08:09:22  -5.27  -4.08  -414.245913    2      1      
iter:   8  08:11:14  -5.41  -4.32  -414.245951    2      1      
iter:   9  08:13:06  -5.50  -4.09  -414.246744    2      1      
iter:  10  08:14:59  -5.62  -3.51  -414.245761    2      1      
iter:  11  08:16:52  -6.27  -4.54  -414.245984    2      1      
iter:  12  08:18:45  -6.61  -4.61  -414.245538    2      1      
iter:  13  08:20:37  -6.60  -4.43  -414.246032    2      1      
iter:  14  08:22:30  -6.80  -4.70  -414.245921    2      1      
iter:  15  08:24:23  -7.31  -5.05  -414.245970    2      1      
iter:  16  08:26:06  -7.45  -4.68  -414.245912    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962619, -32.644013, 0.088495) |e|*Ang

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

Kinetic:        +18.317697
Potential:     -137.125426
External:        +0.000000
XC:            -305.171211
Entropy (-ST):   -1.563380
Local:          +10.514719
--------------------------
Free energy:   -415.027602
Extrapolated:  -414.245912

Fermi level: -6.46071

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53237    0.14930
  0   340     -6.51524    0.14068
  0   341     -6.51403    0.14005
  0   342     -6.48566    0.12490

  1   339     -6.43579    0.19468
  1   340     -6.38684    0.14368
  1   341     -6.35099    0.11123
  1   342     -6.34412    0.10560



Forces in eV/Ang:
  0 O     0.00000   -0.01756    1.17421
  1 Pt    0.00000   -0.00146   -0.37629
  2 Pt    0.00000   -0.01905   -0.43507
  3 O    -1.68376    0.00018   -0.71853
  4 O     1.68376    0.00018   -0.71853
  5 O     0.00000   -0.01112   -1.38945
  6 O     0.00000   -0.00286    1.76536
  7 Pt   -0.00000    0.01427    0.45042
  8 Pt    0.00000   -0.04152    0.76003
  9 O    -1.58126    0.00046    0.05147
 10 O     1.58126    0.00046    0.05147
 11 O     0.00000   -0.00886   -0.56571
 12 O    -0.00000    0.00843    0.12493
 13 Pt   -0.00000    0.24478   -0.03517
 14 Pt    0.00000   -0.02031    0.00535
 15 O     0.00044    0.01078    0.00417
 16 O    -0.00044    0.01078    0.00417
 17 O    -0.00000    0.00764   -0.90783
 18 O    -0.00000    0.00061    0.02620
 19 Pt    0.00000   -0.02838    0.09491
 20 Pt    0.00000   -0.05015    0.11117
 21 O    -0.19967    0.35784    0.21076
 22 O     0.19967    0.35784    0.21076
 23 O     0.00000   -0.01590   -0.07487
 24 O     0.00000   -0.00070    1.15028
 25 Pt   -0.00000    0.01617   -0.37910
 26 Pt    0.00000   -0.00019   -0.43500
 27 O    -1.69230    0.01346   -0.71792
 28 O     1.69230    0.01346   -0.71792
 29 O    -0.00000    0.04712   -1.38949
 30 O     0.00000   -0.00448    1.83002
 31 Pt   -0.00000    0.01884    0.51054
 32 Pt    0.00000   -0.14586    0.57678
 33 O    -1.61390   -0.01895    0.07062
 34 O     1.61390   -0.01895    0.07062
 35 O     0.00000   -0.03252   -0.52418
 36 O    -0.00000    0.19962   -0.11439
 37 Pt    0.00000   -0.27500   -0.04190
 38 Pt    0.00000   -0.00372   -0.01226
 39 O     0.01103    0.01168    0.01645
 40 O    -0.01103    0.01168    0.01645
 41 O    -0.00000    0.00466   -0.01253
 42 O    -0.00000    0.03060   -0.01416
 43 Pt    0.00000   -0.00325    0.07372
 44 Pt    0.00000   -0.07915    0.02406
 45 O    -0.19223   -0.35415    0.20808
 46 O     0.19223   -0.35415    0.20808
 47 O     0.00000   -0.02328   -0.04422
 48 O    -0.00000    0.02218    1.17229
 49 Pt    0.00000   -0.02284   -0.37852
 50 Pt   -0.00000    0.02116   -0.43676
 51 O    -1.69156   -0.01396   -0.71821
 52 O     1.69156   -0.01396   -0.71821
 53 O     0.00000   -0.01312   -1.40533
 54 O     0.00000   -0.00191    1.77303
 55 Pt    0.00000   -0.01217    0.51584
 56 Pt   -0.00000    0.12841    0.65143
 57 O    -1.61378    0.01379    0.09223
 58 O     1.61378    0.01379    0.09223
 59 O     0.00000   -0.02119   -0.51580
 60 O     0.00000   -0.19069   -0.11142
 61 Pt   -0.00000    0.01025   -0.08299
 62 Pt   -0.00000    0.01728   -0.00663
 63 O    -0.01342   -0.00802    0.00318
 64 O     0.01342   -0.00802    0.00318
 65 O     0.00000   -0.00207   -0.00214
 66 O     0.00000   -0.00861   -0.00212
 67 Pt   -0.00000    0.00762    0.01992
 68 Pt   -0.00000    0.15494    0.00709
 69 O    -0.00869   -0.00414   -0.02260
 70 O     0.00869   -0.00414   -0.02260
 71 O    -0.00000    0.00794   -0.04146
 72 N     0.00000   -0.13945    0.05098
 73 N    -0.00000    0.01778    0.12041

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                     Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            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    2.830132   24.672240    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.012984   23.925381    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:40:53  -2.60   +inf  -414.258151    3      1      
iter:   2  08:43:00  -3.29  -3.04  -414.575310    3      1      
iter:   3  08:45:07  -3.69  -2.34  -414.254641    2      1      
iter:   4  08:47:14  -4.20  -3.53  -414.249165    3      1      
iter:   5  08:49:21  -4.36  -3.77  -414.249421    3      1      
iter:   6  08:51:29  -4.51  -3.73  -414.248713    3      1      
iter:   7  08:53:35  -5.18  -4.14  -414.248739    2      1      
iter:   8  08:55:43  -5.33  -4.14  -414.248596    2      1      
iter:   9  08:57:50  -5.39  -4.10  -414.248232    2      1      
iter:  10  08:59:57  -5.82  -4.36  -414.248921    3      1      
iter:  11  09:02:04  -6.26  -4.35  -414.248372    2      1      
iter:  12  09:04:12  -6.70  -4.53  -414.248691    2      1      
iter:  13  09:06:19  -6.85  -4.59  -414.248622    2      1      
iter:  14  09:08:26  -7.00  -4.59  -414.248674    2      1      
iter:  15  09:10:34  -7.01  -4.53  -414.248624    2      1      
iter:  16  09:12:24  -7.43  -5.10  -414.248580    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962646, -32.642533, 0.085965) |e|*Ang

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

Kinetic:        +18.130072
Potential:     -136.993768
External:        +0.000000
XC:            -305.120021
Entropy (-ST):   -1.563407
Local:          +10.516841
--------------------------
Free energy:   -415.030283
Extrapolated:  -414.248580

Fermi level: -6.46238

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53368    0.14912
  0   340     -6.51708    0.14076
  0   341     -6.51592    0.14016
  0   342     -6.48737    0.12492

  1   339     -6.43758    0.19480
  1   340     -6.38862    0.14379
  1   341     -6.35275    0.11130
  1   342     -6.34607    0.10582



Forces in eV/Ang:
  0 O     0.00000   -0.01759    1.17435
  1 Pt    0.00000   -0.00151   -0.37560
  2 Pt    0.00000   -0.01906   -0.43426
  3 O    -1.68290    0.00018   -0.71867
  4 O     1.68290    0.00018   -0.71867
  5 O     0.00000   -0.01111   -1.38970
  6 O     0.00000   -0.00289    1.76937
  7 Pt   -0.00000    0.01427    0.45142
  8 Pt    0.00000   -0.04162    0.76068
  9 O    -1.58128    0.00043    0.05092
 10 O     1.58128    0.00043    0.05092
 11 O     0.00000   -0.00888   -0.56608
 12 O    -0.00000    0.00840    0.12478
 13 Pt   -0.00000    0.24634   -0.03481
 14 Pt    0.00000   -0.02018    0.00598
 15 O     0.00032    0.01089    0.00382
 16 O    -0.00032    0.01089    0.00382
 17 O    -0.00000    0.00673   -0.91242
 18 O    -0.00000    0.00071    0.02601
 19 Pt    0.00000   -0.02781    0.09554
 20 Pt    0.00000   -0.04658    0.11040
 21 O    -0.20095    0.36019    0.21252
 22 O     0.20095    0.36019    0.21252
 23 O     0.00000   -0.01601   -0.07556
 24 O     0.00000   -0.00070    1.15040
 25 Pt   -0.00000    0.01622   -0.37843
 26 Pt    0.00000   -0.00019   -0.43420
 27 O    -1.69145    0.01344   -0.71807
 28 O     1.69145    0.01344   -0.71807
 29 O    -0.00000    0.04704   -1.38990
 30 O     0.00000   -0.00443    1.83404
 31 Pt   -0.00000    0.01882    0.51155
 32 Pt    0.00000   -0.14553    0.57785
 33 O    -1.61389   -0.01896    0.07012
 34 O     1.61389   -0.01896    0.07012
 35 O     0.00000   -0.03251   -0.52455
 36 O    -0.00000    0.20050   -0.11531
 37 Pt    0.00000   -0.27626   -0.04161
 38 Pt    0.00000   -0.00381   -0.01148
 39 O     0.01094    0.01166    0.01614
 40 O    -0.01094    0.01166    0.01614
 41 O    -0.00000    0.00493   -0.00984
 42 O    -0.00000    0.03085   -0.01462
 43 Pt    0.00000   -0.00374    0.07477
 44 Pt    0.00000   -0.07995    0.02366
 45 O    -0.19400   -0.35714    0.21103
 46 O     0.19400   -0.35714    0.21103
 47 O     0.00000   -0.02321   -0.04471
 48 O    -0.00000    0.02220    1.17242
 49 Pt    0.00000   -0.02284   -0.37783
 50 Pt   -0.00000    0.02116   -0.43595
 51 O    -1.69071   -0.01395   -0.71835
 52 O     1.69071   -0.01395   -0.71835
 53 O     0.00000   -0.01306   -1.40563
 54 O     0.00000   -0.00193    1.77714
 55 Pt    0.00000   -0.01215    0.51681
 56 Pt   -0.00000    0.12817    0.65235
 57 O    -1.61381    0.01383    0.09165
 58 O     1.61381    0.01383    0.09165
 59 O     0.00000   -0.02118   -0.51622
 60 O     0.00000   -0.19143   -0.11231
 61 Pt   -0.00000    0.01009   -0.08264
 62 Pt   -0.00000    0.01726   -0.00605
 63 O    -0.01355   -0.00813    0.00280
 64 O     0.01355   -0.00813    0.00280
 65 O     0.00000   -0.00204    0.00069
 66 O     0.00000   -0.00893   -0.00255
 67 Pt   -0.00000    0.00761    0.01911
 68 Pt   -0.00000    0.15482    0.00679
 69 O    -0.00900   -0.00410   -0.02276
 70 O     0.00900   -0.00410   -0.02276
 71 O    -0.00000    0.00795   -0.04190
 72 N     0.00000   -0.22411   -0.06879
 73 N    -0.00000    0.19096    0.20394

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   N                 
                     Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            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    2.823833   24.703924    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.020305   23.941379    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:23:00  -2.61   +inf  -414.256671    3      1      
iter:   2  09:25:03  -3.34  -3.14  -414.467590    3      1      
iter:   3  09:27:05  -3.76  -2.44  -414.254859    2      1      
iter:   4  09:29:05  -4.18  -3.80  -414.250979    3      1      
iter:   5  09:31:05  -4.26  -3.64  -414.253117    3      1      
iter:   6  09:33:07  -4.56  -3.79  -414.252472    2      1      
iter:   7  09:35:09  -5.23  -4.10  -414.252103    2      1      
iter:   8  09:37:15  -5.37  -4.36  -414.252169    2      1      
iter:   9  09:39:20  -5.37  -4.26  -414.251861    2      1      
iter:  10  09:41:24  -5.90  -4.24  -414.252176    2      1      
iter:  11  09:43:27  -6.57  -4.73  -414.252046    2      1      
iter:  12  09:45:31  -6.72  -4.72  -414.252435    2      1      
iter:  13  09:47:34  -6.76  -4.60  -414.252212    2      1      
iter:  14  09:49:36  -7.12  -4.50  -414.252206    2      1      
iter:  15  09:51:36  -7.44  -5.10  -414.252227    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962672, -32.641129, 0.083641) |e|*Ang

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

Kinetic:        +17.976407
Potential:     -136.881149
External:        +0.000000
XC:            -305.081554
Entropy (-ST):   -1.563371
Local:          +10.515756
--------------------------
Free energy:   -415.033912
Extrapolated:  -414.252227

Fermi level: -6.46436

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53547    0.14903
  0   340     -6.51908    0.14077
  0   341     -6.51793    0.14018
  0   342     -6.48942    0.12496

  1   339     -6.43952    0.19476
  1   340     -6.39063    0.14382
  1   341     -6.35478    0.11134
  1   342     -6.34828    0.10601



Forces in eV/Ang:
  0 O     0.00000   -0.01759    1.17411
  1 Pt    0.00000   -0.00155   -0.37624
  2 Pt    0.00000   -0.01906   -0.43496
  3 O    -1.68266    0.00018   -0.71879
  4 O     1.68266    0.00018   -0.71879
  5 O     0.00000   -0.01109   -1.38983
  6 O     0.00000   -0.00291    1.76926
  7 Pt   -0.00000    0.01428    0.45128
  8 Pt    0.00000   -0.04166    0.76039
  9 O    -1.58114    0.00047    0.05109
 10 O     1.58114    0.00047    0.05109
 11 O     0.00000   -0.00889   -0.56601
 12 O    -0.00000    0.00839    0.12523
 13 Pt   -0.00000    0.24795   -0.03472
 14 Pt    0.00000   -0.02016    0.00583
 15 O     0.00021    0.01085    0.00407
 16 O    -0.00021    0.01085    0.00407
 17 O    -0.00000    0.00569   -0.91692
 18 O    -0.00000    0.00071    0.02594
 19 Pt    0.00000   -0.02743    0.09811
 20 Pt    0.00000   -0.04282    0.11152
 21 O    -0.20205    0.36242    0.21487
 22 O     0.20205    0.36242    0.21487
 23 O     0.00000   -0.01598   -0.07544
 24 O     0.00000   -0.00069    1.15014
 25 Pt   -0.00000    0.01629   -0.37906
 26 Pt    0.00000   -0.00019   -0.43492
 27 O    -1.69119    0.01345   -0.71820
 28 O     1.69119    0.01345   -0.71820
 29 O    -0.00000    0.04694   -1.39024
 30 O     0.00000   -0.00447    1.83404
 31 Pt   -0.00000    0.01887    0.51145
 32 Pt    0.00000   -0.14528    0.57818
 33 O    -1.61374   -0.01893    0.07024
 34 O     1.61374   -0.01893    0.07024
 35 O     0.00000   -0.03252   -0.52434
 36 O    -0.00000    0.20161   -0.11613
 37 Pt    0.00000   -0.27803   -0.04188
 38 Pt    0.00000   -0.00369   -0.01209
 39 O     0.01077    0.01161    0.01629
 40 O    -0.01077    0.01161    0.01629
 41 O    -0.00000    0.00528   -0.00825
 42 O    -0.00000    0.03094   -0.01482
 43 Pt    0.00000   -0.00422    0.07836
 44 Pt    0.00000   -0.08109    0.02629
 45 O    -0.19598   -0.35989    0.21435
 46 O     0.19598   -0.35989    0.21435
 47 O     0.00000   -0.02346   -0.04413
 48 O    -0.00000    0.02219    1.17216
 49 Pt    0.00000   -0.02287   -0.37850
 50 Pt   -0.00000    0.02116   -0.43673
 51 O    -1.69048   -0.01395   -0.71847
 52 O     1.69048   -0.01395   -0.71847
 53 O     0.00000   -0.01297   -1.40588
 54 O     0.00000   -0.00187    1.77699
 55 Pt    0.00000   -0.01222    0.51678
 56 Pt   -0.00000    0.12795    0.65251
 57 O    -1.61365    0.01377    0.09176
 58 O     1.61365    0.01377    0.09176
 59 O     0.00000   -0.02116   -0.51604
 60 O     0.00000   -0.19244   -0.11261
 61 Pt   -0.00000    0.01034   -0.08325
 62 Pt   -0.00000    0.01712   -0.00620
 63 O    -0.01382   -0.00805    0.00292
 64 O     0.01382   -0.00805    0.00292
 65 O     0.00000   -0.00187    0.00168
 66 O     0.00000   -0.00902   -0.00291
 67 Pt   -0.00000    0.00780    0.02058
 68 Pt   -0.00000    0.15453    0.00870
 69 O    -0.00940   -0.00412   -0.02241
 70 O     0.00940   -0.00412   -0.02241
 71 O    -0.00000    0.00811   -0.04161
 72 N     0.00000   -0.29956   -0.15834
 73 N    -0.00000    0.26367    0.33325

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           
        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    2.819916   24.719380    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.023432   23.950177    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:07:18  -3.20   +inf  -414.259909    3      1      
iter:   2  10:09:20  -3.76  -3.15  -414.478852    3      1      
iter:   3  10:11:21  -4.10  -2.43  -414.255483    2      1      
iter:   4  10:13:22  -4.65  -3.94  -414.254317    2      1      
iter:   5  10:15:22  -4.70  -4.03  -414.255492    3      1      
iter:   6  10:17:23  -5.23  -3.97  -414.254207    3      1      
iter:   7  10:19:26  -5.77  -4.42  -414.254500    2      1      
iter:   8  10:21:29  -5.98  -4.54  -414.254474    2      1      
iter:   9  10:23:32  -5.95  -4.51  -414.254429    2      1      
iter:  10  10:25:34  -6.23  -3.85  -414.254595    2      1      
iter:  11  10:27:35  -6.88  -4.86  -414.254523    2      1      
iter:  12  10:29:34  -7.27  -4.98  -414.254604    2      1      
iter:  13  10:31:33  -7.51  -4.94  -414.254507    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962703, -32.640668, 0.082686) |e|*Ang

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

Kinetic:        +17.999951
Potential:     -136.899579
External:        +0.000000
XC:            -305.088011
Entropy (-ST):   -1.563477
Local:          +10.514870
--------------------------
Free energy:   -415.036246
Extrapolated:  -414.254507

Fermi level: -6.46503

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53609    0.14901
  0   340     -6.51971    0.14076
  0   341     -6.51856    0.14016
  0   342     -6.49016    0.12500

  1   339     -6.44018    0.19476
  1   340     -6.39126    0.14378
  1   341     -6.35547    0.11137
  1   342     -6.34911    0.10614



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17427
  1 Pt    0.00000   -0.00156   -0.37603
  2 Pt    0.00000   -0.01911   -0.43427
  3 O    -1.68286    0.00019   -0.71870
  4 O     1.68286    0.00019   -0.71870
  5 O     0.00000   -0.01108   -1.38981
  6 O     0.00000   -0.00289    1.76932
  7 Pt   -0.00000    0.01425    0.45114
  8 Pt    0.00000   -0.04158    0.76026
  9 O    -1.58113    0.00046    0.05119
 10 O     1.58113    0.00046    0.05119
 11 O     0.00000   -0.00879   -0.56649
 12 O    -0.00000    0.00834    0.12492
 13 Pt   -0.00000    0.24887   -0.03578
 14 Pt    0.00000   -0.02023    0.00522
 15 O     0.00010    0.01088    0.00369
 16 O    -0.00010    0.01088    0.00369
 17 O    -0.00000    0.00499   -0.92114
 18 O    -0.00000    0.00052    0.02542
 19 Pt    0.00000   -0.02712    0.09792
 20 Pt    0.00000   -0.03870    0.11675
 21 O    -0.20213    0.36326    0.21628
 22 O     0.20213    0.36326    0.21628
 23 O     0.00000   -0.01458   -0.07586
 24 O     0.00000   -0.00068    1.15026
 25 Pt   -0.00000    0.01628   -0.37876
 26 Pt    0.00000   -0.00018   -0.43417
 27 O    -1.69138    0.01340   -0.71810
 28 O     1.69138    0.01340   -0.71810
 29 O    -0.00000    0.04690   -1.39011
 30 O     0.00000   -0.00449    1.83453
 31 Pt   -0.00000    0.01904    0.51138
 32 Pt    0.00000   -0.14513    0.57827
 33 O    -1.61377   -0.01877    0.07037
 34 O     1.61377   -0.01877    0.07037
 35 O     0.00000   -0.03251   -0.52473
 36 O    -0.00000    0.20202   -0.11715
 37 Pt    0.00000   -0.27892   -0.04326
 38 Pt    0.00000   -0.00363   -0.01348
 39 O     0.01059    0.01153    0.01581
 40 O    -0.01059    0.01153    0.01581
 41 O    -0.00000    0.00567   -0.00862
 42 O    -0.00000    0.03084   -0.01537
 43 Pt    0.00000   -0.00462    0.08233
 44 Pt    0.00000   -0.08325    0.03313
 45 O    -0.19751   -0.36112    0.21968
 46 O     0.19751   -0.36112    0.21968
 47 O     0.00000   -0.02455   -0.04267
 48 O    -0.00000    0.02225    1.17229
 49 Pt    0.00000   -0.02285   -0.37822
 50 Pt   -0.00000    0.02121   -0.43606
 51 O    -1.69067   -0.01391   -0.71837
 52 O     1.69067   -0.01391   -0.71837
 53 O     0.00000   -0.01293   -1.40585
 54 O     0.00000   -0.00187    1.77713
 55 Pt    0.00000   -0.01236    0.51675
 56 Pt   -0.00000    0.12771    0.65259
 57 O    -1.61368    0.01363    0.09187
 58 O     1.61368    0.01363    0.09187
 59 O     0.00000   -0.02128   -0.51636
 60 O     0.00000   -0.19275   -0.11327
 61 Pt   -0.00000    0.01032   -0.08450
 62 Pt   -0.00000    0.01714   -0.00699
 63 O    -0.01402   -0.00801    0.00250
 64 O     0.01402   -0.00801    0.00250
 65 O     0.00000   -0.00174    0.00050
 66 O     0.00000   -0.00871   -0.00350
 67 Pt   -0.00000    0.00786    0.02135
 68 Pt   -0.00000    0.15404    0.00841
 69 O    -0.00939   -0.00425   -0.02142
 70 O     0.00939   -0.00425   -0.02142
 71 O    -0.00000    0.00782   -0.04195
 72 N     0.00000   -0.16537   -0.13603
 73 N    -0.00000    0.26749    0.22562

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           
        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    2.817824   24.726119    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.025899   23.954304    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:51:34  -3.82   +inf  -414.259827    3      1      
iter:   2  10:53:39  -4.52  -3.58  -414.260107    3      1      
iter:   3  10:55:45  -4.82  -3.18  -414.255736    3      1      
iter:   4  10:57:50  -5.30  -3.40  -414.255934    3      1      
iter:   5  10:59:56  -5.48  -4.38  -414.255415    3      1      
iter:   6  11:02:01  -5.47  -4.14  -414.255577    3      1      
iter:   7  11:04:05  -5.97  -4.53  -414.255651    2      1      
iter:   8  11:06:10  -6.15  -4.85  -414.255824    2      1      
iter:   9  11:08:15  -6.63  -4.46  -414.255621    2      1      
iter:  10  11:10:20  -6.84  -4.65  -414.255751    2      1      
iter:  11  11:12:24  -7.48  -4.79  -414.255602    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962650, -32.639300, 0.081441) |e|*Ang

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

Kinetic:        +18.316640
Potential:     -137.166794
External:        +0.000000
XC:            -305.139629
Entropy (-ST):   -1.563534
Local:          +10.515947
--------------------------
Free energy:   -415.037369
Extrapolated:  -414.255602

Fermi level: -6.46603

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53729    0.14911
  0   340     -6.52061    0.14070
  0   341     -6.51946    0.14011
  0   342     -6.49128    0.12507

  1   339     -6.44112    0.19469
  1   340     -6.39216    0.14368
  1   341     -6.35651    0.11140
  1   342     -6.35023    0.10624



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17492
  1 Pt    0.00000   -0.00160   -0.37548
  2 Pt    0.00000   -0.01915   -0.43331
  3 O    -1.68326    0.00017   -0.71849
  4 O     1.68326    0.00017   -0.71849
  5 O     0.00000   -0.01102   -1.38972
  6 O     0.00000   -0.00262    1.76797
  7 Pt   -0.00000    0.01432    0.45121
  8 Pt    0.00000   -0.04148    0.76027
  9 O    -1.58128    0.00043    0.05105
 10 O     1.58128    0.00043    0.05105
 11 O     0.00000   -0.00876   -0.56584
 12 O    -0.00000    0.00797    0.12577
 13 Pt   -0.00000    0.24888   -0.03587
 14 Pt    0.00000   -0.02058    0.00531
 15 O    -0.00013    0.01109    0.00390
 16 O     0.00013    0.01109    0.00390
 17 O    -0.00000    0.00501   -0.92685
 18 O     0.00000    0.00044    0.02657
 19 Pt    0.00000   -0.02721    0.09437
 20 Pt    0.00000   -0.03904    0.10681
 21 O    -0.20224    0.36350    0.21503
 22 O     0.20224    0.36350    0.21503
 23 O     0.00000   -0.01470   -0.07925
 24 O     0.00000   -0.00069    1.15100
 25 Pt   -0.00000    0.01637   -0.37811
 26 Pt    0.00000   -0.00016   -0.43314
 27 O    -1.69172    0.01340   -0.71785
 28 O     1.69172    0.01340   -0.71785
 29 O    -0.00000    0.04689   -1.38999
 30 O     0.00000   -0.00440    1.83284
 31 Pt   -0.00000    0.01873    0.51115
 32 Pt    0.00000   -0.14504    0.57776
 33 O    -1.61405   -0.01881    0.07022
 34 O     1.61405   -0.01881    0.07022
 35 O     0.00000   -0.03252   -0.52489
 36 O    -0.00000    0.20228   -0.11628
 37 Pt    0.00000   -0.27851   -0.04288
 38 Pt    0.00000   -0.00397   -0.01193
 39 O     0.01087    0.01124    0.01615
 40 O    -0.01087    0.01124    0.01615
 41 O    -0.00000    0.00549   -0.01112
 42 O    -0.00000    0.03098   -0.01381
 43 Pt    0.00000   -0.00386    0.07812
 44 Pt    0.00000   -0.08234    0.02617
 45 O    -0.19730   -0.36125    0.21948
 46 O     0.19730   -0.36125    0.21948
 47 O     0.00000   -0.02369   -0.04584
 48 O    -0.00000    0.02227    1.17299
 49 Pt    0.00000   -0.02290   -0.37751
 50 Pt   -0.00000    0.02122   -0.43508
 51 O    -1.69102   -0.01389   -0.71810
 52 O     1.69102   -0.01389   -0.71810
 53 O     0.00000   -0.01298   -1.40580
 54 O     0.00000   -0.00223    1.77556
 55 Pt    0.00000   -0.01213    0.51622
 56 Pt   -0.00000    0.12755    0.65232
 57 O    -1.61402    0.01371    0.09164
 58 O     1.61402    0.01371    0.09164
 59 O     0.00000   -0.02129   -0.51598
 60 O     0.00000   -0.19259   -0.11291
 61 Pt   -0.00000    0.00987   -0.08355
 62 Pt   -0.00000    0.01782   -0.00661
 63 O    -0.01357   -0.00793    0.00289
 64 O     0.01357   -0.00793    0.00289
 65 O     0.00000   -0.00172   -0.00199
 66 O     0.00000   -0.00874   -0.00206
 67 Pt   -0.00000    0.00723    0.01868
 68 Pt   -0.00000    0.15399    0.00353
 69 O    -0.00859   -0.00454   -0.02239
 70 O     0.00859   -0.00454   -0.02239
 71 O    -0.00000    0.00701   -0.04415
 72 N     0.00000   -0.08881   -0.02281
 73 N    -0.00000    0.08937    0.08935

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    2.808941   24.759833    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.036115   23.973538    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:30:54  -2.49   +inf  -414.312888    4      1      
iter:   2  11:32:59  -3.00  -2.79  -415.360069    4      1      
iter:   3  11:35:05  -3.38  -2.09  -414.265932    3      1      
iter:   4  11:37:10  -3.93  -3.09  -414.265324    3      1      
iter:   5  11:39:12  -4.40  -3.59  -414.260695    3      1      
iter:   6  11:41:14  -4.22  -3.72  -414.258267    3      1      
iter:   7  11:43:18  -4.87  -3.76  -414.260044    2      1      
iter:   8  11:45:21  -4.78  -3.85  -414.259762    3      1      
iter:   9  11:47:23  -5.18  -4.31  -414.259581    3      1      
iter:  10  11:49:24  -5.50  -3.86  -414.261016    2      1      
iter:  11  11:51:25  -5.67  -3.93  -414.258822    3      1      
iter:  12  11:53:26  -5.81  -3.89  -414.259826    2      1      
iter:  13  11:55:28  -6.34  -4.40  -414.259687    2      1      
iter:  14  11:57:34  -6.28  -4.51  -414.259437    2      1      
iter:  15  11:59:39  -6.60  -4.50  -414.259494    2      1      
iter:  16  12:01:45  -6.88  -4.65  -414.259404    2      1      
iter:  17  12:03:50  -7.21  -4.68  -414.259492    2      1      
iter:  18  12:05:55  -7.48  -5.11  -414.259482    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962781, -32.638715, 0.079497) |e|*Ang

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

Kinetic:        +18.681659
Potential:     -137.448406
External:        +0.000000
XC:            -305.223884
Entropy (-ST):   -1.563532
Local:          +10.512916
--------------------------
Free energy:   -415.041248
Extrapolated:  -414.259482

Fermi level: -6.46807

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53917    0.14903
  0   340     -6.52263    0.14069
  0   341     -6.52148    0.14010
  0   342     -6.49342    0.12512

  1   339     -6.44315    0.19468
  1   340     -6.39419    0.14368
  1   341     -6.35861    0.11144
  1   342     -6.35249    0.10641



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17382
  1 Pt    0.00000   -0.00164   -0.37665
  2 Pt    0.00000   -0.01909   -0.43534
  3 O    -1.68330    0.00016   -0.71895
  4 O     1.68330    0.00016   -0.71895
  5 O     0.00000   -0.01102   -1.38944
  6 O     0.00000   -0.00280    1.76751
  7 Pt   -0.00000    0.01431    0.45096
  8 Pt    0.00000   -0.04169    0.75977
  9 O    -1.58137    0.00046    0.05083
 10 O     1.58137    0.00046    0.05083
 11 O     0.00000   -0.00881   -0.56631
 12 O    -0.00000    0.00802    0.12503
 13 Pt   -0.00000    0.25082   -0.03684
 14 Pt    0.00000   -0.02034    0.00417
 15 O    -0.00006    0.01087    0.00312
 16 O     0.00006    0.01087    0.00312
 17 O    -0.00000    0.00422   -0.92877
 18 O    -0.00000    0.00056    0.02598
 19 Pt    0.00000   -0.02649    0.10459
 20 Pt    0.00000   -0.03778    0.11846
 21 O    -0.20356    0.36638    0.22121
 22 O     0.20356    0.36638    0.22121
 23 O     0.00000   -0.01489   -0.07179
 24 O     0.00000   -0.00067    1.14983
 25 Pt   -0.00000    0.01641   -0.37935
 26 Pt    0.00000   -0.00017   -0.43531
 27 O    -1.69181    0.01345   -0.71833
 28 O     1.69181    0.01345   -0.71833
 29 O    -0.00000    0.04679   -1.38995
 30 O     0.00000   -0.00450    1.83214
 31 Pt   -0.00000    0.01875    0.51097
 32 Pt    0.00000   -0.14480    0.57822
 33 O    -1.61403   -0.01891    0.07001
 34 O     1.61403   -0.01891    0.07001
 35 O     0.00000   -0.03255   -0.52497
 36 O    -0.00000    0.20293   -0.11729
 37 Pt    0.00000   -0.28046   -0.04394
 38 Pt    0.00000   -0.00345   -0.01278
 39 O     0.01083    0.01157    0.01534
 40 O    -0.01083    0.01157    0.01534
 41 O    -0.00000    0.00600   -0.01128
 42 O    -0.00000    0.03193   -0.01503
 43 Pt    0.00000   -0.00451    0.08753
 44 Pt    0.00000   -0.08324    0.03507
 45 O    -0.19892   -0.36487    0.22478
 46 O     0.19892   -0.36487    0.22478
 47 O     0.00000   -0.02482   -0.04087
 48 O    -0.00000    0.02223    1.17184
 49 Pt    0.00000   -0.02289   -0.37884
 50 Pt   -0.00000    0.02117   -0.43719
 51 O    -1.69112   -0.01393   -0.71860
 52 O     1.69112   -0.01393   -0.71860
 53 O     0.00000   -0.01288   -1.40557
 54 O     0.00000   -0.00196    1.77517
 55 Pt    0.00000   -0.01214    0.51627
 56 Pt   -0.00000    0.12751    0.65251
 57 O    -1.61398    0.01378    0.09146
 58 O     1.61398    0.01378    0.09146
 59 O     0.00000   -0.02121   -0.51631
 60 O     0.00000   -0.19309   -0.11373
 61 Pt   -0.00000    0.00987   -0.08525
 62 Pt   -0.00000    0.01710   -0.00740
 63 O    -0.01396   -0.00807    0.00232
 64 O     0.01396   -0.00807    0.00232
 65 O     0.00000   -0.00185   -0.00164
 66 O     0.00000   -0.00985   -0.00329
 67 Pt   -0.00000    0.00738    0.02319
 68 Pt   -0.00000    0.15454    0.01532
 69 O    -0.00807   -0.00434   -0.01976
 70 O     0.00807   -0.00434   -0.01976
 71 O    -0.00000    0.00830   -0.03882
 72 N    -0.00000    0.23544    0.32293
 73 N     0.00000   -0.26131   -0.13015

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    2.800377   24.793228    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.045308   23.991530    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:20:01  -2.52   +inf  -414.277232    3      1      
iter:   2  12:22:03  -3.21  -3.06  -414.551805    3      1      
iter:   3  12:24:04  -3.63  -2.36  -414.262851    3      1      
iter:   4  12:26:05  -4.10  -3.39  -414.265086    3      1      
iter:   5  12:28:06  -4.25  -3.76  -414.260884    3      1      
iter:   6  12:30:08  -4.33  -3.76  -414.261534    2      1      
iter:   7  12:32:11  -4.97  -4.14  -414.262368    2      1      
iter:   8  12:34:14  -5.26  -4.26  -414.261773    3      1      
iter:   9  12:36:16  -5.32  -4.26  -414.262994    3      1      
iter:  10  12:38:18  -5.50  -3.61  -414.263792    2      1      
iter:  11  12:40:19  -5.81  -3.64  -414.261775    3      1      
iter:  12  12:42:19  -6.08  -4.42  -414.261968    2      1      
iter:  13  12:44:18  -6.46  -4.78  -414.261932    2      1      
iter:  14  12:46:17  -6.72  -4.83  -414.262045    2      1      
iter:  15  12:48:18  -6.91  -4.74  -414.261938    2      1      
iter:  16  12:50:16  -7.43  -4.85  -414.261882    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962771, -32.636608, 0.076693) |e|*Ang

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

Kinetic:        +18.908732
Potential:     -137.648064
External:        +0.000000
XC:            -305.253475
Entropy (-ST):   -1.563521
Local:          +10.512685
--------------------------
Free energy:   -415.043643
Extrapolated:  -414.261882

Fermi level: -6.47071

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54191    0.14907
  0   340     -6.52511    0.14061
  0   341     -6.52394    0.14000
  0   342     -6.49622    0.12521

  1   339     -6.44565    0.19452
  1   340     -6.39673    0.14357
  1   341     -6.36129    0.11148
  1   342     -6.35541    0.10664



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17423
  1 Pt    0.00000   -0.00169   -0.37662
  2 Pt    0.00000   -0.01908   -0.43510
  3 O    -1.68416    0.00018   -0.71863
  4 O     1.68416    0.00018   -0.71863
  5 O     0.00000   -0.01103   -1.38883
  6 O     0.00000   -0.00286    1.76422
  7 Pt   -0.00000    0.01425    0.44931
  8 Pt    0.00000   -0.04179    0.75864
  9 O    -1.58130    0.00046    0.05050
 10 O     1.58130    0.00046    0.05050
 11 O     0.00000   -0.00885   -0.56693
 12 O    -0.00000    0.00810    0.12578
 13 Pt   -0.00000    0.25254   -0.03700
 14 Pt    0.00000   -0.02014    0.00467
 15 O     0.00068    0.01085    0.00323
 16 O    -0.00068    0.01085    0.00323
 17 O    -0.00000    0.00356   -0.93922
 18 O    -0.00000    0.00075    0.02659
 19 Pt    0.00000   -0.02627    0.10250
 20 Pt    0.00000   -0.03447    0.11199
 21 O    -0.20392    0.36803    0.22174
 22 O     0.20392    0.36803    0.22174
 23 O     0.00000   -0.01556   -0.07385
 24 O     0.00000   -0.00067    1.15024
 25 Pt   -0.00000    0.01649   -0.37937
 26 Pt    0.00000   -0.00018   -0.43512
 27 O    -1.69267    0.01344   -0.71802
 28 O     1.69267    0.01344   -0.71802
 29 O    -0.00000    0.04667   -1.38968
 30 O     0.00000   -0.00452    1.82900
 31 Pt   -0.00000    0.01883    0.50943
 32 Pt    0.00000   -0.14447    0.57768
 33 O    -1.61391   -0.01893    0.06972
 34 O     1.61391   -0.01893    0.06972
 35 O     0.00000   -0.03254   -0.52540
 36 O    -0.00000    0.20455   -0.11817
 37 Pt    0.00000   -0.28226   -0.04426
 38 Pt    0.00000   -0.00349   -0.01280
 39 O     0.01151    0.01162    0.01544
 40 O    -0.01151    0.01162    0.01544
 41 O    -0.00000    0.00603   -0.01397
 42 O    -0.00000    0.03161   -0.01468
 43 Pt    0.00000   -0.00480    0.08499
 44 Pt    0.00000   -0.08405    0.03039
 45 O    -0.19956   -0.36709    0.22513
 46 O     0.19956   -0.36709    0.22513
 47 O     0.00000   -0.02439   -0.04233
 48 O    -0.00000    0.02223    1.17225
 49 Pt    0.00000   -0.02292   -0.37887
 50 Pt   -0.00000    0.02117   -0.43698
 51 O    -1.69198   -0.01394   -0.71828
 52 O     1.69198   -0.01394   -0.71828
 53 O     0.00000   -0.01274   -1.40516
 54 O     0.00000   -0.00189    1.77206
 55 Pt    0.00000   -0.01216    0.51482
 56 Pt   -0.00000    0.12729    0.65173
 57 O    -1.61385    0.01381    0.09110
 58 O     1.61385    0.01381    0.09110
 59 O     0.00000   -0.02118   -0.51683
 60 O     0.00000   -0.19466   -0.11431
 61 Pt   -0.00000    0.00995   -0.08597
 62 Pt   -0.00000    0.01695   -0.00737
 63 O    -0.01346   -0.00810    0.00220
 64 O     0.01346   -0.00810    0.00220
 65 O     0.00000   -0.00161   -0.00453
 66 O     0.00000   -0.00969   -0.00296
 67 Pt   -0.00000    0.00757    0.02066
 68 Pt   -0.00000    0.15418    0.01139
 69 O    -0.00796   -0.00422   -0.02138
 70 O     0.00796   -0.00422   -0.02138
 71 O    -0.00000    0.00847   -0.04014
 72 N    -0.00000    0.21938    0.35348
 73 N     0.00000   -0.38615   -0.25012

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    2.791245   24.828459    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.054349   24.010543    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:01:54  -2.48   +inf  -414.321644    3      1      
iter:   2  13:03:58  -2.94  -2.72  -415.839871    3      1      
iter:   3  13:06:00  -3.34  -2.02  -414.269136    3      1      
iter:   4  13:08:01  -3.94  -3.47  -414.269294    3      1      
iter:   5  13:10:02  -4.17  -3.73  -414.263596    3      1      
iter:   6  13:12:03  -4.30  -3.54  -414.264842    3      1      
iter:   7  13:14:05  -4.81  -3.79  -414.265251    3      1      
iter:   8  13:16:08  -5.08  -4.11  -414.265595    2      1      
iter:   9  13:18:11  -5.44  -3.99  -414.266049    2      1      
iter:  10  13:20:15  -5.45  -3.84  -414.265591    3      1      
iter:  11  13:22:17  -5.78  -4.45  -414.265552    2      1      
iter:  12  13:24:17  -6.39  -4.64  -414.265742    2      1      
iter:  13  13:26:18  -6.64  -4.60  -414.265311    2      1      
iter:  14  13:28:16  -6.77  -4.63  -414.265740    2      1      
iter:  15  13:30:16  -6.93  -4.36  -414.265570    2      1      
iter:  16  13:32:17  -6.99  -4.28  -414.265565    2      1      
iter:  17  13:34:17  -7.43  -4.83  -414.265526    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962797, -32.635357, 0.073969) |e|*Ang

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

Kinetic:        +18.984793
Potential:     -137.727958
External:        +0.000000
XC:            -305.253665
Entropy (-ST):   -1.563538
Local:          +10.513073
--------------------------
Free energy:   -415.047295
Extrapolated:  -414.265526

Fermi level: -6.47233

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54307    0.14885
  0   340     -6.52701    0.14075
  0   341     -6.52590    0.14018
  0   342     -6.49787    0.12522

  1   339     -6.44740    0.19467
  1   340     -6.39852    0.14374
  1   341     -6.36307    0.11161
  1   342     -6.35728    0.10684



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17441
  1 Pt    0.00000   -0.00174   -0.37547
  2 Pt    0.00000   -0.01909   -0.43406
  3 O    -1.68271    0.00018   -0.71869
  4 O     1.68271    0.00018   -0.71869
  5 O     0.00000   -0.01099   -1.38953
  6 O     0.00000   -0.00280    1.76994
  7 Pt   -0.00000    0.01427    0.45121
  8 Pt    0.00000   -0.04180    0.75950
  9 O    -1.58134    0.00043    0.05052
 10 O     1.58134    0.00043    0.05052
 11 O     0.00000   -0.00883   -0.56654
 12 O    -0.00000    0.00802    0.12587
 13 Pt   -0.00000    0.25437   -0.03585
 14 Pt    0.00000   -0.02020    0.00566
 15 O    -0.00001    0.01090    0.00319
 16 O     0.00001    0.01090    0.00319
 17 O    -0.00000    0.00289   -0.94223
 18 O    -0.00000    0.00068    0.02598
 19 Pt    0.00000   -0.02610    0.10295
 20 Pt    0.00000   -0.03202    0.11202
 21 O    -0.20591    0.37063    0.22299
 22 O     0.20591    0.37063    0.22299
 23 O     0.00000   -0.01585   -0.07500
 24 O     0.00000   -0.00068    1.15043
 25 Pt   -0.00000    0.01655   -0.37818
 26 Pt    0.00000   -0.00018   -0.43406
 27 O    -1.69122    0.01342   -0.71808
 28 O     1.69122    0.01342   -0.71808
 29 O    -0.00000    0.04661   -1.39042
 30 O     0.00000   -0.00448    1.83475
 31 Pt   -0.00000    0.01878    0.51126
 32 Pt    0.00000   -0.14415    0.57889
 33 O    -1.61397   -0.01890    0.06972
 34 O     1.61397   -0.01890    0.06972
 35 O     0.00000   -0.03256   -0.52520
 36 O    -0.00000    0.20538   -0.11879
 37 Pt    0.00000   -0.28410   -0.04318
 38 Pt    0.00000   -0.00355   -0.01143
 39 O     0.01096    0.01154    0.01544
 40 O    -0.01096    0.01154    0.01544
 41 O    -0.00000    0.00639   -0.01009
 42 O    -0.00000    0.03183   -0.01510
 43 Pt    0.00000   -0.00476    0.08565
 44 Pt    0.00000   -0.08540    0.02928
 45 O    -0.20181   -0.37032    0.22660
 46 O     0.20181   -0.37032    0.22660
 47 O     0.00000   -0.02396   -0.04360
 48 O    -0.00000    0.02226    1.17243
 49 Pt    0.00000   -0.02293   -0.37764
 50 Pt   -0.00000    0.02118   -0.43594
 51 O    -1.69052   -0.01392   -0.71833
 52 O     1.69052   -0.01392   -0.71833
 53 O     0.00000   -0.01272   -1.40587
 54 O     0.00000   -0.00195    1.77782
 55 Pt    0.00000   -0.01214    0.51658
 56 Pt   -0.00000    0.12699    0.65288
 57 O    -1.61397    0.01380    0.09102
 58 O     1.61397    0.01380    0.09102
 59 O     0.00000   -0.02119   -0.51657
 60 O     0.00000   -0.19527   -0.11482
 61 Pt   -0.00000    0.00991   -0.08526
 62 Pt   -0.00000    0.01710   -0.00608
 63 O    -0.01409   -0.00809    0.00224
 64 O     0.01409   -0.00809    0.00224
 65 O     0.00000   -0.00151   -0.00074
 66 O     0.00000   -0.00990   -0.00359
 67 Pt   -0.00000    0.00743    0.01986
 68 Pt   -0.00000    0.15418    0.01078
 69 O    -0.00846   -0.00414   -0.02153
 70 O     0.00846   -0.00414   -0.02153
 71 O    -0.00000    0.00817   -0.04111
 72 N    -0.00000    0.33948    0.48818
 73 N     0.00000   -0.40030   -0.31181

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    2.782423   24.865300    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.063191   24.028958    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:46:13  -2.46   +inf  -414.291996    3      1      
iter:   2  13:48:18  -3.05  -2.85  -415.117365    3      1      
iter:   3  13:50:23  -3.43  -2.15  -414.276205    2      1      
iter:   4  13:52:28  -3.92  -3.46  -414.269706    3      1      
iter:   5  13:54:30  -4.08  -3.68  -414.272828    3      1      
iter:   6  13:56:31  -4.32  -3.46  -414.269266    3      1      
iter:   7  13:58:31  -4.95  -3.88  -414.269319    2      1      
iter:   8  14:00:32  -5.12  -4.07  -414.269284    2      1      
iter:   9  14:02:34  -5.13  -4.28  -414.268967    3      1      
iter:  10  14:04:37  -5.50  -4.35  -414.269230    2      1      
iter:  11  14:06:41  -6.04  -4.52  -414.268788    2      1      
iter:  12  14:08:44  -6.36  -4.39  -414.269453    2      1      
iter:  13  14:10:45  -6.60  -4.01  -414.269243    2      1      
iter:  14  14:12:46  -7.02  -4.62  -414.269204    2      1      
iter:  15  14:14:45  -6.69  -4.78  -414.269279    2      1      
iter:  16  14:16:43  -7.06  -4.86  -414.269194    2      1      
iter:  17  14:18:30  -7.36  -4.96  -414.269268    2      1      
iter:  18  14:20:17  -7.48  -4.96  -414.269135    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962828, -32.634076, 0.072826) |e|*Ang

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

Kinetic:        +18.591248
Potential:     -137.425238
External:        +0.000000
XC:            -305.165955
Entropy (-ST):   -1.563735
Local:          +10.512677
--------------------------
Free energy:   -415.051002
Extrapolated:  -414.269135

Fermi level: -6.47387

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54490    0.14899
  0   340     -6.52820    0.14057
  0   341     -6.52705    0.13998
  0   342     -6.49965    0.12535

  1   339     -6.44876    0.19447
  1   340     -6.39980    0.14349
  1   341     -6.36465    0.11164
  1   342     -6.35915    0.10711



Forces in eV/Ang:
  0 O     0.00000   -0.01772    1.17460
  1 Pt    0.00000   -0.00180   -0.37628
  2 Pt    0.00000   -0.01912   -0.43415
  3 O    -1.68432    0.00018   -0.71843
  4 O     1.68432    0.00018   -0.71843
  5 O     0.00000   -0.01094   -1.38892
  6 O     0.00000   -0.00271    1.76423
  7 Pt   -0.00000    0.01425    0.44945
  8 Pt    0.00000   -0.04173    0.75863
  9 O    -1.58133    0.00045    0.05072
 10 O     1.58133    0.00045    0.05072
 11 O     0.00000   -0.00880   -0.56739
 12 O    -0.00000    0.00782    0.12610
 13 Pt   -0.00000    0.25596   -0.03822
 14 Pt    0.00000   -0.02034    0.00418
 15 O     0.00063    0.01090    0.00345
 16 O    -0.00063    0.01090    0.00345
 17 O    -0.00000    0.00201   -0.95530
 18 O    -0.00000    0.00062    0.02726
 19 Pt    0.00000   -0.02558    0.10165
 20 Pt    0.00000   -0.02620    0.11597
 21 O    -0.20560    0.37195    0.22414
 22 O     0.20560    0.37195    0.22414
 23 O     0.00000   -0.01478   -0.07560
 24 O     0.00000   -0.00067    1.15062
 25 Pt   -0.00000    0.01662   -0.37889
 26 Pt    0.00000   -0.00017   -0.43409
 27 O    -1.69279    0.01341   -0.71781
 28 O     1.69279    0.01341   -0.71781
 29 O    -0.00000    0.04650   -1.38990
 30 O     0.00000   -0.00449    1.82924
 31 Pt   -0.00000    0.01877    0.50942
 32 Pt    0.00000   -0.14387    0.57831
 33 O    -1.61401   -0.01888    0.06991
 34 O     1.61401   -0.01888    0.06991
 35 O     0.00000   -0.03254   -0.52617
 36 O    -0.00000    0.20640   -0.11931
 37 Pt    0.00000   -0.28557   -0.04563
 38 Pt    0.00000   -0.00354   -0.01304
 39 O     0.01173    0.01148    0.01562
 40 O    -0.01173    0.01148    0.01562
 41 O    -0.00000    0.00672   -0.01537
 42 O    -0.00000    0.03211   -0.01418
 43 Pt    0.00000   -0.00510    0.08796
 44 Pt    0.00000   -0.08811    0.03381
 45 O    -0.20268   -0.37215    0.23141
 46 O     0.20268   -0.37215    0.23141
 47 O     0.00000   -0.02455   -0.04298
 48 O    -0.00000    0.02228    1.17261
 49 Pt    0.00000   -0.02294   -0.37838
 50 Pt   -0.00000    0.02120   -0.43608
 51 O    -1.69211   -0.01390   -0.71805
 52 O     1.69211   -0.01390   -0.71805
 53 O     0.00000   -0.01266   -1.40536
 54 O     0.00000   -0.00206    1.77214
 55 Pt    0.00000   -0.01212    0.51472
 56 Pt   -0.00000    0.12664    0.65230
 57 O    -1.61402    0.01378    0.09115
 58 O     1.61402    0.01378    0.09115
 59 O     0.00000   -0.02123   -0.51734
 60 O     0.00000   -0.19598   -0.11522
 61 Pt   -0.00000    0.00975   -0.08737
 62 Pt   -0.00000    0.01724   -0.00779
 63 O    -0.01330   -0.00803    0.00250
 64 O     0.01330   -0.00803    0.00250
 65 O     0.00000   -0.00129   -0.00693
 66 O     0.00000   -0.01012   -0.00286
 67 Pt   -0.00000    0.00729    0.01874
 68 Pt   -0.00000    0.15336    0.00896
 69 O    -0.00736   -0.00424   -0.02155
 70 O     0.00736   -0.00424   -0.02155
 71 O    -0.00000    0.00770   -0.04174
 72 N    -0.00000    0.08109    0.25909
 73 N     0.00000   -0.16969   -0.22499

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    2.772772   24.902988    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.073289   24.047784    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:30:32  -2.43   +inf  -414.314073    3      1      
iter:   2  14:32:36  -2.97  -2.78  -415.453143    3      1      
iter:   3  14:34:42  -3.35  -2.07  -414.278780    3      1      
iter:   4  14:37:07  -3.90  -3.56  -414.275380    2      1      
iter:   5  14:39:13  -3.97  -3.69  -414.279162    3      1      
iter:   6  14:41:15  -4.26  -3.44  -414.272515    3      1      
iter:   7  14:43:17  -4.96  -3.86  -414.273461    2      1      
iter:   8  14:45:19  -5.19  -4.05  -414.273360    2      1      
iter:   9  14:47:20  -5.50  -3.96  -414.273991    2      1      
iter:  10  14:49:21  -5.29  -3.68  -414.273130    3      1      
iter:  11  14:51:23  -5.81  -4.34  -414.273139    2      1      
iter:  12  14:53:25  -6.13  -4.49  -414.273435    2      1      
iter:  13  14:55:27  -6.56  -4.60  -414.273123    2      1      
iter:  14  14:57:30  -6.75  -4.66  -414.273525    2      1      
iter:  15  14:59:32  -6.85  -4.43  -414.273426    2      1      
iter:  16  15:01:30  -6.89  -4.27  -414.273384    2      1      
iter:  17  15:03:29  -7.43  -4.93  -414.273362    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962775, -32.632010, 0.069586) |e|*Ang

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

Kinetic:        +18.341205
Potential:     -137.244444
External:        +0.000000
XC:            -305.098749
Entropy (-ST):   -1.563539
Local:          +10.510394
--------------------------
Free energy:   -415.055132
Extrapolated:  -414.273362

Fermi level: -6.47626

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54684    0.14877
  0   340     -6.53081    0.14069
  0   341     -6.52971    0.14012
  0   342     -6.50201    0.12534

  1   339     -6.45114    0.19446
  1   340     -6.40238    0.14367
  1   341     -6.36714    0.11173
  1   342     -6.36172    0.10726



Forces in eV/Ang:
  0 O     0.00000   -0.01771    1.17483
  1 Pt    0.00000   -0.00183   -0.37585
  2 Pt    0.00000   -0.01908   -0.43422
  3 O    -1.68345    0.00019   -0.71860
  4 O     1.68345    0.00019   -0.71860
  5 O     0.00000   -0.01098   -1.38909
  6 O     0.00000   -0.00282    1.76745
  7 Pt   -0.00000    0.01424    0.45068
  8 Pt    0.00000   -0.04190    0.75905
  9 O    -1.58113    0.00046    0.05062
 10 O     1.58113    0.00046    0.05062
 11 O     0.00000   -0.00884   -0.56657
 12 O    -0.00000    0.00794    0.12715
 13 Pt   -0.00000    0.25786   -0.03581
 14 Pt    0.00000   -0.02007    0.00618
 15 O     0.00033    0.01090    0.00368
 16 O    -0.00033    0.01090    0.00368
 17 O    -0.00000    0.00163   -0.95810
 18 O    -0.00000    0.00083    0.02695
 19 Pt    0.00000   -0.02520    0.10325
 20 Pt    0.00000   -0.02468    0.11119
 21 O    -0.20766    0.37452    0.22472
 22 O     0.20766    0.37452    0.22472
 23 O     0.00000   -0.01638   -0.07785
 24 O     0.00000   -0.00068    1.15083
 25 Pt   -0.00000    0.01667   -0.37857
 26 Pt    0.00000   -0.00018   -0.43426
 27 O    -1.69197    0.01342   -0.71798
 28 O     1.69197    0.01342   -0.71798
 29 O    -0.00000    0.04642   -1.39037
 30 O     0.00000   -0.00446    1.83229
 31 Pt   -0.00000    0.01881    0.51075
 32 Pt    0.00000   -0.14353    0.57938
 33 O    -1.61372   -0.01893    0.06983
 34 O     1.61372   -0.01893    0.06983
 35 O     0.00000   -0.03254   -0.52517
 36 O    -0.00000    0.20775   -0.11955
 37 Pt    0.00000   -0.28771   -0.04327
 38 Pt    0.00000   -0.00360   -0.01122
 39 O     0.01132    0.01154    0.01595
 40 O    -0.01132    0.01154    0.01595
 41 O    -0.00000    0.00682   -0.00998
 42 O    -0.00000    0.03194   -0.01465
 43 Pt    0.00000   -0.00544    0.08689
 44 Pt    0.00000   -0.08865    0.02809
 45 O    -0.20443   -0.37531    0.22916
 46 O     0.20443   -0.37531    0.22916
 47 O     0.00000   -0.02355   -0.04552
 48 O    -0.00000    0.02227    1.17284
 49 Pt    0.00000   -0.02296   -0.37804
 50 Pt   -0.00000    0.02117   -0.43615
 51 O    -1.69129   -0.01393   -0.71822
 52 O     1.69129   -0.01393   -0.71822
 53 O     0.00000   -0.01254   -1.40568
 54 O     0.00000   -0.00196    1.77545
 55 Pt    0.00000   -0.01215    0.51609
 56 Pt   -0.00000    0.12648    0.65312
 57 O    -1.61374    0.01382    0.09102
 58 O     1.61374    0.01382    0.09102
 59 O     0.00000   -0.02120   -0.51652
 60 O     0.00000   -0.19731   -0.11523
 61 Pt   -0.00000    0.00994   -0.08572
 62 Pt   -0.00000    0.01704   -0.00591
 63 O    -0.01385   -0.00811    0.00263
 64 O     0.01385   -0.00811    0.00263
 65 O     0.00000   -0.00112   -0.00151
 66 O     0.00000   -0.01019   -0.00326
 67 Pt   -0.00000    0.00739    0.01826
 68 Pt   -0.00000    0.15331    0.00850
 69 O    -0.00867   -0.00394   -0.02330
 70 O     0.00867   -0.00394   -0.02330
 71 O    -0.00000    0.00812   -0.04292
 72 N     0.00000   -0.05770    0.06883
 73 N     0.00000   -0.01432    0.10634

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    2.762102   24.941539    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.082622   24.068599    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:15:00  -2.41   +inf  -414.274097    3      1      
iter:   2  15:17:03  -3.20  -3.33  -414.319660    3      1      
iter:   3  15:19:04  -3.65  -2.82  -414.286014    3      1      
iter:   4  15:21:05  -4.04  -3.19  -414.277049    3      1      
iter:   5  15:23:06  -3.96  -3.60  -414.276068    3      1      
iter:   6  15:25:09  -4.50  -4.11  -414.276571    2      1      
iter:   7  15:27:13  -4.92  -3.95  -414.275961    2      1      
iter:   8  15:29:16  -5.05  -3.98  -414.276606    2      1      
iter:   9  15:31:18  -5.24  -4.24  -414.275203    3      1      
iter:  10  15:33:22  -5.80  -4.05  -414.276183    3      1      
iter:  11  15:35:19  -6.27  -4.03  -414.276022    2      1      
iter:  12  15:37:17  -6.58  -4.73  -414.276006    2      1      
iter:  13  15:39:18  -6.56  -4.65  -414.276181    2      1      
iter:  14  15:41:16  -6.56  -4.44  -414.275969    2      1      
iter:  15  15:43:14  -7.07  -4.99  -414.276078    2      1      
iter:  16  15:45:13  -7.78  -5.06  -414.276007    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962823, -32.629755, 0.065488) |e|*Ang

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

Kinetic:        +18.078189
Potential:     -137.043844
External:        +0.000000
XC:            -305.038580
Entropy (-ST):   -1.563799
Local:          +10.510127
--------------------------
Free energy:   -415.057906
Extrapolated:  -414.276007

Fermi level: -6.47918

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54935    0.14857
  0   340     -6.53388    0.14076
  0   341     -6.53284    0.14023
  0   342     -6.50497    0.12536

  1   339     -6.45427    0.19469
  1   340     -6.40540    0.14377
  1   341     -6.37019    0.11184
  1   342     -6.36491    0.10748



Forces in eV/Ang:
  0 O     0.00000   -0.01772    1.17432
  1 Pt    0.00000   -0.00187   -0.37558
  2 Pt    0.00000   -0.01910   -0.43401
  3 O    -1.68183    0.00019   -0.71872
  4 O     1.68183    0.00019   -0.71872
  5 O     0.00000   -0.01095   -1.38942
  6 O     0.00000   -0.00278    1.77261
  7 Pt   -0.00000    0.01423    0.45304
  8 Pt    0.00000   -0.04186    0.76072
  9 O    -1.58121    0.00047    0.05138
 10 O     1.58121    0.00047    0.05138
 11 O     0.00000   -0.00884   -0.56619
 12 O    -0.00000    0.00793    0.12784
 13 Pt   -0.00000    0.25998   -0.03533
 14 Pt    0.00000   -0.02016    0.00609
 15 O    -0.00017    0.01097    0.00398
 16 O     0.00017    0.01097    0.00398
 17 O    -0.00000    0.00114   -0.96390
 18 O    -0.00000    0.00072    0.02680
 19 Pt    0.00000   -0.02449    0.10556
 20 Pt    0.00000   -0.02250    0.11287
 21 O    -0.20868    0.37672    0.22676
 22 O     0.20868    0.37672    0.22676
 23 O     0.00000   -0.01684   -0.07827
 24 O     0.00000   -0.00068    1.15030
 25 Pt   -0.00000    0.01672   -0.37826
 26 Pt    0.00000   -0.00017   -0.43404
 27 O    -1.69033    0.01341   -0.71810
 28 O     1.69033    0.01341   -0.71810
 29 O    -0.00000    0.04631   -1.39079
 30 O     0.00000   -0.00446    1.83766
 31 Pt   -0.00000    0.01884    0.51310
 32 Pt    0.00000   -0.14320    0.58169
 33 O    -1.61383   -0.01888    0.07057
 34 O     1.61383   -0.01888    0.07057
 35 O     0.00000   -0.03253   -0.52473
 36 O    -0.00000    0.20885   -0.12006
 37 Pt    0.00000   -0.29020   -0.04306
 38 Pt    0.00000   -0.00358   -0.01184
 39 O     0.01087    0.01134    0.01628
 40 O    -0.01087    0.01134    0.01628
 41 O    -0.00000    0.00718   -0.00692
 42 O    -0.00000    0.03213   -0.01487
 43 Pt    0.00000   -0.00597    0.08928
 44 Pt    0.00000   -0.09003    0.02890
 45 O    -0.20585   -0.37806    0.23089
 46 O     0.20585   -0.37806    0.23089
 47 O     0.00000   -0.02344   -0.04578
 48 O    -0.00000    0.02228    1.17230
 49 Pt    0.00000   -0.02296   -0.37776
 50 Pt   -0.00000    0.02118   -0.43600
 51 O    -1.68966   -0.01392   -0.71834
 52 O     1.68966   -0.01392   -0.71834
 53 O     0.00000   -0.01245   -1.40612
 54 O     0.00000   -0.00201    1.78062
 55 Pt    0.00000   -0.01218    0.51848
 56 Pt   -0.00000    0.12613    0.65528
 57 O    -1.61385    0.01376    0.09172
 58 O     1.61385    0.01376    0.09172
 59 O     0.00000   -0.02120   -0.51606
 60 O     0.00000   -0.19827   -0.11536
 61 Pt   -0.00000    0.01021   -0.08593
 62 Pt   -0.00000    0.01712   -0.00620
 63 O    -0.01437   -0.00802    0.00289
 64 O     0.01437   -0.00802    0.00289
 65 O     0.00000   -0.00093    0.00097
 66 O     0.00000   -0.01030   -0.00374
 67 Pt   -0.00000    0.00733    0.01922
 68 Pt   -0.00000    0.15287    0.00982
 69 O    -0.00922   -0.00388   -0.02302
 70 O     0.00922   -0.00388   -0.02302
 71 O    -0.00000    0.00836   -0.04278
 72 N     0.00000   -0.16187   -0.03509
 73 N    -0.00000    0.10800    0.24277

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    2.751304   24.980054    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.091571   24.089829    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:01:44  -2.41   +inf  -414.353055    3      1      
iter:   2  16:03:49  -2.83  -2.64  -416.542034    3      1      
iter:   3  16:05:54  -3.24  -1.94  -414.297088    3      1      
iter:   4  16:07:59  -3.73  -3.00  -414.283398    3      1      
iter:   5  16:10:06  -4.07  -3.63  -414.276959    3      1      
iter:   6  16:12:12  -4.20  -3.53  -414.277878    3      1      
iter:   7  16:14:18  -4.85  -3.74  -414.277993    2      1      
iter:   8  16:16:21  -5.05  -3.91  -414.278513    2      1      
iter:   9  16:18:22  -5.35  -3.94  -414.278272    2      1      
iter:  10  16:20:22  -5.40  -3.88  -414.278238    3      1      
iter:  11  16:22:23  -5.44  -3.99  -414.277656    2      1      
iter:  12  16:24:26  -6.25  -4.32  -414.278274    2      1      
iter:  13  16:26:30  -6.33  -4.30  -414.277891    2      1      
iter:  14  16:28:33  -6.64  -4.63  -414.278148    2      1      
iter:  15  16:30:35  -6.66  -4.69  -414.277955    2      1      
iter:  16  16:32:33  -7.02  -4.28  -414.278083    2      1      
iter:  17  16:34:19  -7.68  -5.03  -414.278034    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962843, -32.627520, 0.062666) |e|*Ang

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

Kinetic:        +17.775158
Potential:     -136.819109
External:        +0.000000
XC:            -304.965193
Entropy (-ST):   -1.563807
Local:          +10.513013
--------------------------
Free energy:   -415.059938
Extrapolated:  -414.278034

Fermi level: -6.48210

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55240    0.14863
  0   340     -6.53658    0.14065
  0   341     -6.53551    0.14010
  0   342     -6.50808    0.12547

  1   339     -6.45696    0.19444
  1   340     -6.40816    0.14362
  1   341     -6.37319    0.11191
  1   342     -6.36813    0.10772



Forces in eV/Ang:
  0 O     0.00000   -0.01775    1.17470
  1 Pt    0.00000   -0.00193   -0.37571
  2 Pt    0.00000   -0.01909   -0.43446
  3 O    -1.68322    0.00019   -0.71830
  4 O     1.68322    0.00019   -0.71830
  5 O     0.00000   -0.01096   -1.38858
  6 O     0.00000   -0.00283    1.76808
  7 Pt   -0.00000    0.01422    0.45171
  8 Pt    0.00000   -0.04191    0.75936
  9 O    -1.58094    0.00048    0.05186
 10 O     1.58094    0.00048    0.05186
 11 O     0.00000   -0.00880   -0.56627
 12 O    -0.00000    0.00797    0.12871
 13 Pt   -0.00000    0.26220   -0.03545
 14 Pt    0.00000   -0.01999    0.00623
 15 O     0.00028    0.01092    0.00451
 16 O    -0.00028    0.01092    0.00451
 17 O     0.00000    0.00091   -0.97501
 18 O    -0.00000    0.00090    0.02743
 19 Pt    0.00000   -0.02412    0.10614
 20 Pt    0.00000   -0.01987    0.11571
 21 O    -0.20942    0.37821    0.22761
 22 O     0.20942    0.37821    0.22761
 23 O     0.00000   -0.01709   -0.07940
 24 O     0.00000   -0.00067    1.15066
 25 Pt   -0.00000    0.01678   -0.37839
 26 Pt    0.00000   -0.00017   -0.43458
 27 O    -1.69172    0.01342   -0.71769
 28 O     1.69172    0.01342   -0.71769
 29 O    -0.00000    0.04620   -1.39016
 30 O     0.00000   -0.00448    1.83304
 31 Pt   -0.00000    0.01886    0.51183
 32 Pt    0.00000   -0.14287    0.58078
 33 O    -1.61355   -0.01891    0.07109
 34 O     1.61355   -0.01891    0.07109
 35 O     0.00000   -0.03255   -0.52478
 36 O    -0.00000    0.21016   -0.12007
 37 Pt    0.00000   -0.29246   -0.04323
 38 Pt    0.00000   -0.00358   -0.01164
 39 O     0.01132    0.01148    0.01677
 40 O    -0.01132    0.01148    0.01677
 41 O    -0.00000    0.00742   -0.00989
 42 O    -0.00000    0.03218   -0.01461
 43 Pt    0.00000   -0.00627    0.09045
 44 Pt    0.00000   -0.09218    0.02871
 45 O    -0.20699   -0.38027    0.23226
 46 O     0.20699   -0.38027    0.23226
 47 O     0.00000   -0.02338   -0.04670
 48 O    -0.00000    0.02229    1.17268
 49 Pt    0.00000   -0.02296   -0.37790
 50 Pt   -0.00000    0.02117   -0.43650
 51 O    -1.69106   -0.01392   -0.71791
 52 O     1.69106   -0.01392   -0.71791
 53 O     0.00000   -0.01234   -1.40540
 54 O     0.00000   -0.00194    1.77612
 55 Pt    0.00000   -0.01219    0.51720
 56 Pt   -0.00000    0.12587    0.65429
 57 O    -1.61358    0.01378    0.09218
 58 O     1.61358    0.01378    0.09218
 59 O     0.00000   -0.02122   -0.51616
 60 O     0.00000   -0.19948   -0.11541
 61 Pt   -0.00000    0.01011   -0.08645
 62 Pt   -0.00000    0.01697   -0.00608
 63 O    -0.01400   -0.00810    0.00344
 64 O     0.01400   -0.00810    0.00344
 65 O     0.00000   -0.00084   -0.00231
 66 O     0.00000   -0.01056   -0.00338
 67 Pt   -0.00000    0.00732    0.01826
 68 Pt   -0.00000    0.15276    0.00900
 69 O    -0.00888   -0.00370   -0.02348
 70 O     0.00888   -0.00370   -0.02348
 71 O    -0.00000    0.00846   -0.04353
 72 N     0.00000   -0.22160   -0.37816
 73 N    -0.00000    0.19523    0.48306

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    2.740738   25.016562    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.099399   24.112308    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:43:34  -2.45   +inf  -414.280257    3      1      
iter:   2  16:45:39  -3.29  -3.55  -414.292287    3      1      
iter:   3  16:47:45  -3.80  -3.04  -414.284541    2      1      
iter:   4  16:49:49  -4.04  -3.36  -414.277280    3      1      
iter:   5  16:51:50  -4.07  -3.46  -414.280551    3      1      
iter:   6  16:53:48  -4.79  -3.96  -414.279432    3      1      
iter:   7  16:55:49  -5.06  -4.28  -414.279371    2      1      
iter:   8  16:57:50  -5.06  -4.33  -414.279596    2      1      
iter:   9  16:59:57  -5.72  -3.75  -414.279357    2      1      
iter:  10  17:02:00  -5.79  -3.76  -414.279258    2      1      
iter:  11  17:04:01  -6.40  -4.61  -414.279000    2      1      
iter:  12  17:06:02  -6.54  -4.53  -414.279597    2      1      
iter:  13  17:08:03  -6.58  -4.51  -414.279345    2      1      
iter:  14  17:10:05  -6.66  -4.77  -414.279336    2      1      
iter:  15  17:12:03  -7.25  -4.85  -414.279373    2      1      
iter:  16  17:14:02  -7.37  -4.46  -414.279265    2      1      
iter:  17  17:16:00  -7.86  -5.02  -414.279311    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962890, -32.624780, 0.059175) |e|*Ang

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

Kinetic:        +17.617999
Potential:     -136.703711
External:        +0.000000
XC:            -304.928861
Entropy (-ST):   -1.563823
Local:          +10.517174
--------------------------
Free energy:   -415.061222
Extrapolated:  -414.279311

Fermi level: -6.48521

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55538    0.14857
  0   340     -6.53962    0.14061
  0   341     -6.53856    0.14007
  0   342     -6.51128    0.12551

  1   339     -6.45994    0.19428
  1   340     -6.41125    0.14360
  1   341     -6.37638    0.11197
  1   342     -6.37149    0.10792



Forces in eV/Ang:
  0 O     0.00000   -0.01773    1.17454
  1 Pt    0.00000   -0.00198   -0.37669
  2 Pt    0.00000   -0.01909   -0.43481
  3 O    -1.68372    0.00019   -0.71857
  4 O     1.68372    0.00019   -0.71857
  5 O     0.00000   -0.01093   -1.38868
  6 O     0.00000   -0.00277    1.76585
  7 Pt   -0.00000    0.01423    0.45064
  8 Pt    0.00000   -0.04191    0.75867
  9 O    -1.58101    0.00048    0.05106
 10 O     1.58101    0.00048    0.05106
 11 O     0.00000   -0.00883   -0.56655
 12 O    -0.00000    0.00781    0.12860
 13 Pt   -0.00000    0.26433   -0.03651
 14 Pt    0.00000   -0.02012    0.00593
 15 O     0.00042    0.01097    0.00394
 16 O    -0.00042    0.01097    0.00394
 17 O     0.00000    0.00078   -0.98472
 18 O    -0.00000    0.00086    0.02764
 19 Pt    0.00000   -0.02350    0.10939
 20 Pt    0.00000   -0.01757    0.12126
 21 O    -0.20979    0.38029    0.23043
 22 O     0.20979    0.38029    0.23043
 23 O     0.00000   -0.01649   -0.07817
 24 O     0.00000   -0.00067    1.15051
 25 Pt   -0.00000    0.01686   -0.37935
 26 Pt    0.00000   -0.00016   -0.43491
 27 O    -1.69222    0.01342   -0.71796
 28 O     1.69222    0.01342   -0.71796
 29 O    -0.00000    0.04611   -1.39035
 30 O     0.00000   -0.00443    1.83078
 31 Pt   -0.00000    0.01879    0.51065
 32 Pt    0.00000   -0.14251    0.58046
 33 O    -1.61361   -0.01892    0.07020
 34 O     1.61361   -0.01892    0.07020
 35 O     0.00000   -0.03254   -0.52535
 36 O    -0.00000    0.21123   -0.12109
 37 Pt    0.00000   -0.29469   -0.04433
 38 Pt    0.00000   -0.00356   -0.01165
 39 O     0.01159    0.01131    0.01612
 40 O    -0.01159    0.01131    0.01612
 41 O    -0.00000    0.00772   -0.00988
 42 O    -0.00000    0.03260   -0.01441
 43 Pt    0.00000   -0.00655    0.09531
 44 Pt    0.00000   -0.09436    0.03392
 45 O    -0.20833   -0.38293    0.23740
 46 O     0.20833   -0.38293    0.23740
 47 O     0.00000   -0.02394   -0.04535
 48 O    -0.00000    0.02227    1.17252
 49 Pt    0.00000   -0.02299   -0.37884
 50 Pt   -0.00000    0.02116   -0.43687
 51 O    -1.69156   -0.01393   -0.71816
 52 O     1.69156   -0.01393   -0.71816
 53 O     0.00000   -0.01228   -1.40556
 54 O     0.00000   -0.00205    1.77391
 55 Pt    0.00000   -0.01213    0.51595
 56 Pt   -0.00000    0.12551    0.65395
 57 O    -1.61369    0.01380    0.09120
 58 O     1.61369    0.01380    0.09120
 59 O     0.00000   -0.02119   -0.51650
 60 O     0.00000   -0.20030   -0.11632
 61 Pt   -0.00000    0.01007   -0.08758
 62 Pt   -0.00000    0.01708   -0.00631
 63 O    -0.01375   -0.00800    0.00288
 64 O     0.01375   -0.00800    0.00288
 65 O     0.00000   -0.00069   -0.00288
 66 O     0.00000   -0.01099   -0.00344
 67 Pt   -0.00000    0.00700    0.01991
 68 Pt   -0.00000    0.15262    0.01235
 69 O    -0.00824   -0.00385   -0.02227
 70 O     0.00824   -0.00385   -0.02227
 71 O    -0.00000    0.00837   -0.04246
 72 N     0.00000   -0.32419   -0.37870
 73 N    -0.00000    0.26499    0.50378

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    2.738503   25.020959    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.099183   24.117918    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:27:48  -3.96   +inf  -414.307641    3      1      
iter:   2  17:29:53  -3.54  -2.92  -414.984755    3      1      
iter:   3  17:31:55  -3.83  -2.18  -414.280903    3      1      
iter:   4  17:33:55  -4.68  -3.69  -414.282457    3      1      
iter:   5  17:35:55  -5.27  -4.01  -414.280838    3      1      
iter:   6  17:37:57  -5.55  -4.09  -414.280306    2      1      
iter:   7  17:39:59  -5.74  -4.16  -414.280702    3      1      
iter:   8  17:42:03  -5.83  -4.31  -414.280647    3      1      
iter:   9  17:44:09  -6.60  -4.64  -414.280587    2      1      
iter:  10  17:46:12  -6.35  -4.42  -414.280865    2      1      
iter:  11  17:48:17  -7.05  -4.57  -414.280490    2      1      
iter:  12  17:50:20  -7.05  -4.58  -414.280704    2      1      
iter:  13  17:52:22  -7.30  -4.88  -414.280666    2      1      
iter:  14  17:54:09  -7.32  -4.97  -414.280612    2      1      
iter:  15  17:55:47  -7.75  -4.79  -414.280649    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962872, -32.622676, 0.054927) |e|*Ang

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

Kinetic:        +17.997854
Potential:     -137.017044
External:        +0.000000
XC:            -304.999477
Entropy (-ST):   -1.563952
Local:          +10.519993
--------------------------
Free energy:   -415.062625
Extrapolated:  -414.280649

Fermi level: -6.48771

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55734    0.14831
  0   340     -6.54242    0.14077
  0   341     -6.54143    0.14026
  0   342     -6.51366    0.12545

  1   339     -6.46275    0.19464
  1   340     -6.41396    0.14381
  1   341     -6.37894    0.11203
  1   342     -6.37400    0.10794



Forces in eV/Ang:
  0 O     0.00000   -0.01774    1.17450
  1 Pt    0.00000   -0.00198   -0.37559
  2 Pt    0.00000   -0.01910   -0.43356
  3 O    -1.68146    0.00021   -0.71866
  4 O     1.68146    0.00021   -0.71866
  5 O     0.00000   -0.01094   -1.38921
  6 O     0.00000   -0.00278    1.77406
  7 Pt   -0.00000    0.01419    0.45320
  8 Pt    0.00000   -0.04191    0.76079
  9 O    -1.58092    0.00046    0.05159
 10 O     1.58092    0.00046    0.05159
 11 O     0.00000   -0.00883   -0.56609
 12 O    -0.00000    0.00787    0.12922
 13 Pt   -0.00000    0.26453   -0.03525
 14 Pt    0.00000   -0.02011    0.00696
 15 O    -0.00004    0.01102    0.00415
 16 O     0.00004    0.01102    0.00415
 17 O     0.00000    0.00091   -0.98396
 18 O    -0.00000    0.00085    0.02769
 19 Pt    0.00000   -0.02310    0.10842
 20 Pt    0.00000   -0.01649    0.12015
 21 O    -0.21017    0.38085    0.23048
 22 O     0.21017    0.38085    0.23048
 23 O     0.00000   -0.01559   -0.08127
 24 O     0.00000   -0.00068    1.15046
 25 Pt   -0.00000    0.01687   -0.37824
 26 Pt    0.00000   -0.00017   -0.43364
 27 O    -1.68995    0.01340   -0.71805
 28 O     1.68995    0.01340   -0.71805
 29 O    -0.00000    0.04607   -1.39084
 30 O     0.00000   -0.00444    1.83921
 31 Pt   -0.00000    0.01884    0.51325
 32 Pt    0.00000   -0.14244    0.58258
 33 O    -1.61356   -0.01889    0.07080
 34 O     1.61356   -0.01889    0.07080
 35 O     0.00000   -0.03253   -0.52470
 36 O    -0.00000    0.21133   -0.12055
 37 Pt    0.00000   -0.29485   -0.04318
 38 Pt    0.00000   -0.00357   -0.01091
 39 O     0.01111    0.01134    0.01640
 40 O    -0.01111    0.01134    0.01640
 41 O    -0.00000    0.00798   -0.00397
 42 O    -0.00000    0.03242   -0.01450
 43 Pt    0.00000   -0.00690    0.09659
 44 Pt    0.00000   -0.09552    0.03568
 45 O    -0.20960   -0.38378    0.24033
 46 O     0.20960   -0.38378    0.24033
 47 O     0.00000   -0.02437   -0.04658
 48 O    -0.00000    0.02229    1.17247
 49 Pt    0.00000   -0.02300   -0.37772
 50 Pt   -0.00000    0.02118   -0.43560
 51 O    -1.68929   -0.01392   -0.71827
 52 O     1.68929   -0.01392   -0.71827
 53 O     0.00000   -0.01223   -1.40606
 54 O     0.00000   -0.00202    1.78224
 55 Pt    0.00000   -0.01215    0.51859
 56 Pt   -0.00000    0.12545    0.65612
 57 O    -1.61364    0.01379    0.09182
 58 O     1.61364    0.01379    0.09182
 59 O     0.00000   -0.02122   -0.51592
 60 O     0.00000   -0.20046   -0.11588
 61 Pt   -0.00000    0.00997   -0.08605
 62 Pt   -0.00000    0.01709   -0.00543
 63 O    -0.01417   -0.00809    0.00318
 64 O     0.01417   -0.00809    0.00318
 65 O     0.00000   -0.00087    0.00256
 66 O     0.00000   -0.01079   -0.00350
 67 Pt   -0.00000    0.00689    0.02019
 68 Pt   -0.00000    0.15260    0.01085
 69 O    -0.00891   -0.00400   -0.02168
 70 O     0.00891   -0.00400   -0.02168
 71 O    -0.00000    0.00802   -0.04447
 72 N     0.00000   -0.16224   -0.16848
 73 N    -0.00000    0.10986    0.25577

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    2.725566   25.058809    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.104639   24.147238    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:04:24  -2.37   +inf  -414.330149    3      1      
iter:   2  18:06:13  -3.05  -2.83  -415.026237    3      1      
iter:   3  18:08:02  -3.47  -2.18  -414.287136    3      1      
iter:   4  18:09:50  -3.94  -3.07  -414.290124    3      1      
iter:   5  18:11:38  -4.24  -3.60  -414.285272    3      1      
iter:   6  18:13:27  -4.28  -3.49  -414.284970    3      1      
iter:   7  18:15:16  -4.57  -3.52  -414.284798    3      1      
iter:   8  18:17:07  -5.02  -4.05  -414.284959    3      1      
iter:   9  18:18:57  -5.25  -3.64  -414.285539    3      1      
iter:  10  18:20:47  -5.33  -3.68  -414.284548    3      1      
iter:  11  18:22:36  -5.75  -4.22  -414.284568    3      1      
iter:  12  18:24:25  -6.25  -4.43  -414.284467    2      1      
iter:  13  18:26:13  -6.50  -4.46  -414.284962    2      1      
iter:  14  18:28:00  -6.42  -4.44  -414.284143    2      1      
iter:  15  18:29:46  -6.86  -4.45  -414.284409    2      1      
iter:  16  18:31:33  -7.26  -4.73  -414.284450    2      1      
iter:  17  18:33:21  -7.68  -4.94  -414.284441    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963005, -32.620793, 0.052379) |e|*Ang

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

Kinetic:        +18.382450
Potential:     -137.314260
External:        +0.000000
XC:            -305.087100
Entropy (-ST):   -1.564156
Local:          +10.516547
--------------------------
Free energy:   -415.066519
Extrapolated:  -414.284441

Fermi level: -6.49072

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56053    0.14839
  0   340     -6.54516    0.14063
  0   341     -6.54414    0.14010
  0   342     -6.51692    0.12558

  1   339     -6.46551    0.19436
  1   340     -6.41677    0.14360
  1   341     -6.38209    0.11214
  1   342     -6.37737    0.10823



Forces in eV/Ang:
  0 O     0.00000   -0.01774    1.17372
  1 Pt    0.00000   -0.00205   -0.37699
  2 Pt    0.00000   -0.01910   -0.43541
  3 O    -1.68296    0.00019   -0.71911
  4 O     1.68296    0.00019   -0.71911
  5 O     0.00000   -0.01093   -1.38873
  6 O     0.00000   -0.00279    1.76895
  7 Pt   -0.00000    0.01423    0.45136
  8 Pt    0.00000   -0.04191    0.75871
  9 O    -1.58119    0.00048    0.05111
 10 O     1.58119    0.00048    0.05111
 11 O     0.00000   -0.00881   -0.56655
 12 O    -0.00000    0.00788    0.12875
 13 Pt   -0.00000    0.26786   -0.03740
 14 Pt    0.00000   -0.02013    0.00504
 15 O    -0.00019    0.01107    0.00337
 16 O     0.00019    0.01107    0.00337
 17 O    -0.00000    0.00129   -0.99661
 18 O    -0.00000    0.00076    0.02720
 19 Pt    0.00000   -0.02256    0.11663
 20 Pt    0.00000   -0.01778    0.13346
 21 O    -0.21069    0.38304    0.23555
 22 O     0.21069    0.38304    0.23555
 23 O     0.00000   -0.01614   -0.07538
 24 O     0.00000   -0.00068    1.14968
 25 Pt   -0.00000    0.01695   -0.37962
 26 Pt    0.00000   -0.00014   -0.43554
 27 O    -1.69145    0.01342   -0.71849
 28 O     1.69145    0.01342   -0.71849
 29 O    -0.00000    0.04598   -1.39053
 30 O     0.00000   -0.00440    1.83393
 31 Pt   -0.00000    0.01881    0.51140
 32 Pt    0.00000   -0.14198    0.58115
 33 O    -1.61382   -0.01890    0.07031
 34 O     1.61382   -0.01890    0.07031
 35 O     0.00000   -0.03254   -0.52533
 36 O    -0.00000    0.21268   -0.12212
 37 Pt    0.00000   -0.29845   -0.04549
 38 Pt    0.00000   -0.00358   -0.01266
 39 O     0.01101    0.01125    0.01557
 40 O    -0.01101    0.01125    0.01557
 41 O    -0.00000    0.00809   -0.00858
 42 O    -0.00000    0.03306   -0.01509
 43 Pt    0.00000   -0.00721    0.10401
 44 Pt    0.00000   -0.09670    0.04267
 45 O    -0.21043   -0.38678    0.24509
 46 O     0.21043   -0.38678    0.24509
 47 O     0.00000   -0.02497   -0.04269
 48 O    -0.00000    0.02230    1.17168
 49 Pt    0.00000   -0.02300   -0.37908
 50 Pt   -0.00000    0.02116   -0.43752
 51 O    -1.69080   -0.01392   -0.71867
 52 O     1.69080   -0.01392   -0.71867
 53 O     0.00000   -0.01216   -1.40572
 54 O     0.00000   -0.00207    1.77701
 55 Pt    0.00000   -0.01215    0.51662
 56 Pt   -0.00000    0.12501    0.65460
 57 O    -1.61395    0.01378    0.09122
 58 O     1.61395    0.01378    0.09122
 59 O     0.00000   -0.02122   -0.51654
 60 O     0.00000   -0.20173   -0.11732
 61 Pt   -0.00000    0.01008   -0.08910
 62 Pt   -0.00000    0.01713   -0.00717
 63 O    -0.01436   -0.00806    0.00241
 64 O     0.01436   -0.00806    0.00241
 65 O     0.00000   -0.00068   -0.00207
 66 O     0.00000   -0.01138   -0.00418
 67 Pt   -0.00000    0.00678    0.02398
 68 Pt   -0.00000    0.15306    0.02000
 69 O    -0.00797   -0.00387   -0.01943
 70 O     0.00797   -0.00387   -0.01943
 71 O    -0.00000    0.00909   -0.03980
 72 N    -0.00000    0.14775    0.27756
 73 N     0.00000   -0.16003   -0.10564

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    2.712927   25.096759    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.110561   24.175275    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:54:00  -2.38   +inf  -414.310966    3      1      
iter:   2  18:55:51  -3.17  -3.02  -414.576349    3      1      
iter:   3  18:57:41  -3.62  -2.36  -414.295298    3      1      
iter:   4  18:59:30  -4.11  -3.09  -414.292108    3      1      
iter:   5  19:01:18  -4.28  -3.68  -414.287116    3      1      
iter:   6  19:03:06  -4.25  -3.54  -414.286568    2      1      
iter:   7  19:04:55  -5.08  -3.98  -414.287529    2      1      
iter:   8  19:06:44  -5.24  -4.20  -414.287076    3      1      
iter:   9  19:08:34  -5.16  -4.02  -414.287284    3      1      
iter:  10  19:10:25  -5.84  -3.89  -414.288565    3      1      
iter:  11  19:12:14  -5.78  -3.74  -414.287189    3      1      
iter:  12  19:14:03  -6.32  -4.47  -414.287385    2      1      
iter:  13  19:15:52  -6.41  -4.48  -414.287104    2      1      
iter:  14  19:17:41  -6.84  -4.59  -414.287310    2      1      
iter:  15  19:19:27  -6.88  -4.80  -414.287191    2      1      
iter:  16  19:21:06  -7.29  -4.92  -414.287201    2      1      
iter:  17  19:22:44  -7.88  -4.81  -414.287250    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963008, -32.617717, 0.048313) |e|*Ang

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

Kinetic:        +18.721149
Potential:     -137.595018
External:        +0.000000
XC:            -305.143021
Entropy (-ST):   -1.564100
Local:          +10.511690
--------------------------
Free energy:   -415.069300
Extrapolated:  -414.287250

Fermi level: -6.49462

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56448    0.14842
  0   340     -6.54886    0.14053
  0   341     -6.54783    0.13999
  0   342     -6.52095    0.12566

  1   339     -6.46914    0.19406
  1   340     -6.42055    0.14349
  1   341     -6.38610    0.11223
  1   342     -6.38153    0.10844



Forces in eV/Ang:
  0 O     0.00000   -0.01776    1.17434
  1 Pt    0.00000   -0.00211   -0.37708
  2 Pt    0.00000   -0.01910   -0.43543
  3 O    -1.68429    0.00020   -0.71846
  4 O     1.68429    0.00020   -0.71846
  5 O     0.00000   -0.01093   -1.38789
  6 O     0.00000   -0.00280    1.76360
  7 Pt   -0.00000    0.01419    0.45013
  8 Pt    0.00000   -0.04193    0.75759
  9 O    -1.58101    0.00048    0.05101
 10 O     1.58101    0.00048    0.05101
 11 O     0.00000   -0.00881   -0.56678
 12 O    -0.00000    0.00794    0.12965
 13 Pt   -0.00000    0.27050   -0.03741
 14 Pt    0.00000   -0.02009    0.00548
 15 O     0.00042    0.01096    0.00358
 16 O    -0.00042    0.01096    0.00358
 17 O    -0.00000    0.00157   -1.00941
 18 O    -0.00000    0.00079    0.02777
 19 Pt    0.00000   -0.02211    0.11647
 20 Pt    0.00000   -0.01691    0.13564
 21 O    -0.21145    0.38505    0.23492
 22 O     0.21145    0.38505    0.23492
 23 O     0.00000   -0.01635   -0.07727
 24 O     0.00000   -0.00068    1.15028
 25 Pt   -0.00000    0.01701   -0.37972
 26 Pt    0.00000   -0.00015   -0.43562
 27 O    -1.69277    0.01341   -0.71784
 28 O     1.69277    0.01341   -0.71784
 29 O    -0.00000    0.04583   -1.38990
 30 O     0.00000   -0.00444    1.82871
 31 Pt   -0.00000    0.01886    0.51019
 32 Pt    0.00000   -0.14162    0.58066
 33 O    -1.61363   -0.01892    0.07022
 34 O     1.61363   -0.01892    0.07022
 35 O     0.00000   -0.03254   -0.52542
 36 O    -0.00000    0.21425   -0.12238
 37 Pt    0.00000   -0.30129   -0.04564
 38 Pt    0.00000   -0.00345   -0.01231
 39 O     0.01162    0.01139    0.01573
 40 O    -0.01162    0.01139    0.01573
 41 O    -0.00000    0.00817   -0.01073
 42 O    -0.00000    0.03323   -0.01488
 43 Pt    0.00000   -0.00757    0.10439
 44 Pt    0.00000   -0.09832    0.04091
 45 O    -0.21196   -0.38968    0.24566
 46 O     0.21196   -0.38968    0.24566
 47 O     0.00000   -0.02469   -0.04429
 48 O    -0.00000    0.02230    1.17229
 49 Pt    0.00000   -0.02300   -0.37922
 50 Pt   -0.00000    0.02116   -0.43759
 51 O    -1.69214   -0.01392   -0.71803
 52 O     1.69214   -0.01392   -0.71803
 53 O     0.00000   -0.01201   -1.40504
 54 O     0.00000   -0.00201    1.77177
 55 Pt    0.00000   -0.01216    0.51552
 56 Pt   -0.00000    0.12468    0.65404
 57 O    -1.61377    0.01379    0.09113
 58 O     1.61377    0.01379    0.09113
 59 O     0.00000   -0.02121   -0.51666
 60 O     0.00000   -0.20331   -0.11753
 61 Pt   -0.00000    0.01013   -0.08978
 62 Pt   -0.00000    0.01697   -0.00682
 63 O    -0.01389   -0.00807    0.00267
 64 O     0.01389   -0.00807    0.00267
 65 O     0.00000   -0.00050   -0.00463
 66 O     0.00000   -0.01160   -0.00404
 67 Pt   -0.00000    0.00670    0.02249
 68 Pt   -0.00000    0.15288    0.01773
 69 O    -0.00782   -0.00379   -0.02127
 70 O     0.00782   -0.00379   -0.02127
 71 O    -0.00000    0.00900   -0.04122
 72 N    -0.00000    0.25457    0.49923
 73 N     0.00000   -0.21334   -0.31687

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    2.700217   25.134687    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.116221   24.203603    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:38:09  -2.37   +inf  -414.383968    3      1      
iter:   2  19:39:58  -2.80  -2.62  -416.753385    3      1      
iter:   3  19:41:46  -3.21  -1.93  -414.297969    3      1      
iter:   4  19:43:34  -3.84  -3.22  -414.297417    3      1      
iter:   5  19:45:22  -4.20  -3.55  -414.290413    3      1      
iter:   6  19:47:11  -4.19  -3.47  -414.289967    3      1      
iter:   7  19:49:01  -4.69  -3.65  -414.290081    3      1      
iter:   8  19:50:51  -4.99  -3.93  -414.290773    3      1      
iter:   9  19:52:41  -5.36  -3.89  -414.290924    2      1      
iter:  10  19:54:30  -5.44  -4.07  -414.289914    3      1      
iter:  11  19:56:19  -5.53  -4.09  -414.291005    2      1      
iter:  12  19:58:08  -6.12  -4.35  -414.290597    2      1      
iter:  13  19:59:54  -6.55  -4.50  -414.290696    2      1      
iter:  14  20:01:40  -6.61  -4.68  -414.290851    2      1      
iter:  15  20:03:27  -6.75  -4.24  -414.290779    2      1      
iter:  16  20:05:16  -6.79  -4.12  -414.290676    2      1      
iter:  17  20:07:03  -7.01  -4.80  -414.290677    2      1      
iter:  18  20:08:41  -7.22  -5.05  -414.290612    2      1      
iter:  19  20:10:20  -7.50  -4.91  -414.290800    2      1      

Converged after 19 iterations.

Dipole moment: (-55.963046, -32.615376, 0.044283) |e|*Ang

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

Kinetic:        +19.008107
Potential:     -137.834378
External:        +0.000000
XC:            -305.190204
Entropy (-ST):   -1.564044
Local:          +10.507697
--------------------------
Free energy:   -415.072822
Extrapolated:  -414.290800

Fermi level: -6.49764

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56700    0.14817
  0   340     -6.55206    0.14062
  0   341     -6.55109    0.14011
  0   342     -6.52396    0.12564

  1   339     -6.47214    0.19403
  1   340     -6.42374    0.14365
  1   341     -6.38929    0.11237
  1   342     -6.38474    0.10859



Forces in eV/Ang:
  0 O     0.00000   -0.01775    1.17446
  1 Pt    0.00000   -0.00216   -0.37739
  2 Pt    0.00000   -0.01911   -0.43514
  3 O    -1.68362    0.00021   -0.71888
  4 O     1.68362    0.00021   -0.71888
  5 O     0.00000   -0.01093   -1.38861
  6 O     0.00000   -0.00278    1.76639
  7 Pt   -0.00000    0.01416    0.45058
  8 Pt    0.00000   -0.04193    0.75795
  9 O    -1.58056    0.00049    0.05069
 10 O     1.58056    0.00049    0.05069
 11 O     0.00000   -0.00882   -0.56677
 12 O    -0.00000    0.00795    0.12998
 13 Pt   -0.00000    0.27290   -0.03609
 14 Pt    0.00000   -0.02010    0.00700
 15 O     0.00056    0.01098    0.00370
 16 O    -0.00056    0.01098    0.00370
 17 O    -0.00000    0.00182   -1.01631
 18 O    -0.00000    0.00081    0.02798
 19 Pt    0.00000   -0.02145    0.11731
 20 Pt    0.00000   -0.01549    0.14079
 21 O    -0.21269    0.38712    0.23603
 22 O     0.21269    0.38712    0.23603
 23 O     0.00000   -0.01620   -0.07925
 24 O     0.00000   -0.00069    1.15040
 25 Pt   -0.00000    0.01707   -0.38002
 26 Pt    0.00000   -0.00015   -0.43533
 27 O    -1.69211    0.01338   -0.71827
 28 O     1.69211    0.01338   -0.71827
 29 O    -0.00000    0.04570   -1.39071
 30 O     0.00000   -0.00442    1.83167
 31 Pt   -0.00000    0.01888    0.51066
 32 Pt    0.00000   -0.14126    0.58148
 33 O    -1.61318   -0.01892    0.06989
 34 O     1.61318   -0.01892    0.06989
 35 O     0.00000   -0.03252   -0.52546
 36 O    -0.00000    0.21529   -0.12278
 37 Pt    0.00000   -0.30385   -0.04443
 38 Pt    0.00000   -0.00349   -0.01115
 39 O     0.01179    0.01137    0.01587
 40 O    -0.01179    0.01137    0.01587
 41 O    -0.00000    0.00851   -0.00584
 42 O    -0.00000    0.03330   -0.01482
 43 Pt    0.00000   -0.00812    0.10671
 44 Pt    0.00000   -0.10040    0.04180
 45 O    -0.21401   -0.39254    0.24864
 46 O     0.21401   -0.39254    0.24864
 47 O     0.00000   -0.02464   -0.04574
 48 O    -0.00000    0.02231    1.17240
 49 Pt    0.00000   -0.02301   -0.37953
 50 Pt   -0.00000    0.02117   -0.43732
 51 O    -1.69147   -0.01391   -0.71844
 52 O     1.69147   -0.01391   -0.71844
 53 O     0.00000   -0.01189   -1.40586
 54 O     0.00000   -0.00203    1.77469
 55 Pt    0.00000   -0.01215    0.51601
 56 Pt   -0.00000    0.12434    0.65484
 57 O    -1.61333    0.01378    0.09075
 58 O     1.61333    0.01378    0.09075
 59 O     0.00000   -0.02123   -0.51668
 60 O     0.00000   -0.20433   -0.11792
 61 Pt   -0.00000    0.01015   -0.08885
 62 Pt   -0.00000    0.01702   -0.00559
 63 O    -0.01375   -0.00808    0.00272
 64 O     0.01375   -0.00808    0.00272
 65 O     0.00000   -0.00051   -0.00055
 66 O     0.00000   -0.01172   -0.00406
 67 Pt   -0.00000    0.00657    0.02268
 68 Pt   -0.00000    0.15278    0.01659
 69 O    -0.00865   -0.00379   -0.02100
 70 O     0.00865   -0.00379   -0.02100
 71 O    -0.00000    0.00879   -0.04274
 72 N    -0.00000    0.42680    0.74102
 73 N     0.00000   -0.43901   -0.58292

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    2.687742   25.172691    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.120269   24.231274    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:29:46  -2.35   +inf  -414.290711    3      1      
iter:   2  20:31:35  -3.24  -3.31  -414.310186    3      1      
iter:   3  20:33:23  -3.76  -3.14  -414.302664    3      1      
iter:   4  20:35:11  -4.21  -3.08  -414.294674    3      1      
iter:   5  20:37:00  -3.99  -3.40  -414.292405    3      1      
iter:   6  20:38:49  -4.59  -3.69  -414.292266    2      1      
iter:   7  20:40:39  -5.02  -4.19  -414.292163    3      1      
iter:   8  20:42:29  -5.00  -3.98  -414.292480    3      1      
iter:   9  20:44:20  -5.46  -4.16  -414.291542    3      1      
iter:  10  20:46:10  -5.99  -4.28  -414.292331    2      1      
iter:  11  20:47:59  -6.41  -4.44  -414.292067    2      1      
iter:  12  20:49:48  -6.56  -4.44  -414.291901    2      1      
iter:  13  20:51:37  -6.47  -4.42  -414.291969    2      1      
iter:  14  20:53:24  -6.96  -4.81  -414.291958    2      1      
iter:  15  20:55:10  -7.22  -4.80  -414.292111    2      1      
iter:  16  20:56:49  -7.77  -5.12  -414.291969    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963048, -32.611729, 0.039087) |e|*Ang

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

Kinetic:        +18.984808
Potential:     -137.834950
External:        +0.000000
XC:            -305.171283
Entropy (-ST):   -1.564594
Local:          +10.511754
--------------------------
Free energy:   -415.074266
Extrapolated:  -414.291969

Fermi level: -6.50151

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57076    0.14811
  0   340     -6.55591    0.14061
  0   341     -6.55497    0.14012
  0   342     -6.52800    0.12574

  1   339     -6.47627    0.19432
  1   340     -6.42753    0.14358
  1   341     -6.39340    0.11258
  1   342     -6.38890    0.10883



Forces in eV/Ang:
  0 O     0.00000   -0.01774    1.17440
  1 Pt    0.00000   -0.00221   -0.37581
  2 Pt    0.00000   -0.01908   -0.43397
  3 O    -1.68229    0.00020   -0.71861
  4 O     1.68229    0.00020   -0.71861
  5 O     0.00000   -0.01095   -1.38840
  6 O     0.00000   -0.00284    1.77043
  7 Pt   -0.00000    0.01418    0.45214
  8 Pt    0.00000   -0.04200    0.75874
  9 O    -1.58124    0.00053    0.05111
 10 O     1.58124    0.00053    0.05111
 11 O     0.00000   -0.00886   -0.56690
 12 O    -0.00000    0.00800    0.13042
 13 Pt   -0.00000    0.27533   -0.03690
 14 Pt    0.00000   -0.01996    0.00563
 15 O    -0.00026    0.01100    0.00363
 16 O     0.00026    0.01100    0.00363
 17 O    -0.00000    0.00226   -1.02642
 18 O    -0.00000    0.00102    0.02775
 19 Pt    0.00000   -0.02119    0.11776
 20 Pt    0.00000   -0.01568    0.14303
 21 O    -0.21356    0.38891    0.23584
 22 O     0.21356    0.38891    0.23584
 23 O     0.00000   -0.01711   -0.08003
 24 O     0.00000   -0.00067    1.15032
 25 Pt   -0.00000    0.01712   -0.37849
 26 Pt    0.00000   -0.00013   -0.43431
 27 O    -1.69080    0.01342   -0.71800
 28 O     1.69080    0.01342   -0.71800
 29 O    -0.00000    0.04559   -1.39071
 30 O     0.00000   -0.00447    1.83537
 31 Pt   -0.00000    0.01884    0.51227
 32 Pt    0.00000   -0.14100    0.58293
 33 O    -1.61380   -0.01901    0.07032
 34 O     1.61380   -0.01901    0.07032
 35 O     0.00000   -0.03257   -0.52547
 36 O    -0.00000    0.21648   -0.12322
 37 Pt    0.00000   -0.30649   -0.04536
 38 Pt    0.00000   -0.00342   -0.01232
 39 O     0.01094    0.01139    0.01588
 40 O    -0.01094    0.01139    0.01588
 41 O    -0.00000    0.00852   -0.00765
 42 O    -0.00000    0.03356   -0.01534
 43 Pt    0.00000   -0.00831    0.10582
 44 Pt    0.00000   -0.10141    0.03884
 45 O    -0.21503   -0.39517    0.24801
 46 O     0.21503   -0.39517    0.24801
 47 O     0.00000   -0.02394   -0.04718
 48 O    -0.00000    0.02229    1.17233
 49 Pt    0.00000   -0.02301   -0.37803
 50 Pt   -0.00000    0.02112   -0.43624
 51 O    -1.69019   -0.01393   -0.71817
 52 O     1.69019   -0.01393   -0.71817
 53 O     0.00000   -0.01178   -1.40582
 54 O     0.00000   -0.00194    1.77859
 55 Pt    0.00000   -0.01213    0.51768
 56 Pt   -0.00000    0.12415    0.65615
 57 O    -1.61395    0.01383    0.09113
 58 O     1.61395    0.01383    0.09113
 59 O     0.00000   -0.02114   -0.51675
 60 O     0.00000   -0.20554   -0.11838
 61 Pt   -0.00000    0.01027   -0.09034
 62 Pt   -0.00000    0.01681   -0.00688
 63 O    -0.01474   -0.00812    0.00268
 64 O     0.01474   -0.00812    0.00268
 65 O     0.00000   -0.00041   -0.00248
 66 O     0.00000   -0.01223   -0.00457
 67 Pt   -0.00000    0.00655    0.02073
 68 Pt   -0.00000    0.15288    0.01595
 69 O    -0.00837   -0.00356   -0.02261
 70 O     0.00837   -0.00356   -0.02261
 71 O    -0.00000    0.00899   -0.04311
 72 N    -0.00000    0.34920    0.66621
 73 N     0.00000   -0.45890   -0.63840

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    2.675227   25.210207    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.123814   24.259444    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:16:26  -2.35   +inf  -414.306587    3      1      
iter:   2  21:18:16  -3.21  -3.20  -414.365754    3      1      
iter:   3  21:20:04  -3.70  -2.66  -414.297546    3      1      
iter:   4  21:21:52  -4.14  -3.16  -414.298774    3      1      
iter:   5  21:23:40  -3.95  -3.67  -414.293599    3      1      
iter:   6  21:25:29  -4.55  -3.83  -414.294311    2      1      
iter:   7  21:27:19  -5.07  -3.96  -414.294561    2      1      
iter:   8  21:29:10  -5.24  -4.04  -414.295614    2      1      
iter:   9  21:31:00  -5.22  -3.73  -414.294207    3      1      
iter:  10  21:32:49  -5.74  -4.42  -414.294656    2      1      
iter:  11  21:34:38  -6.14  -4.33  -414.294226    2      1      
iter:  12  21:36:26  -6.62  -4.57  -414.294331    2      1      
iter:  13  21:38:15  -6.66  -4.75  -414.294303    2      1      
iter:  14  21:40:04  -6.42  -4.35  -414.294097    2      1      
iter:  15  21:41:53  -6.81  -4.41  -414.294316    2      1      
iter:  16  21:43:39  -7.30  -4.93  -414.294216    2      1      
iter:  17  21:45:18  -7.24  -4.94  -414.294400    2      1      
iter:  18  21:46:56  -7.62  -4.78  -414.294321    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963073, -32.608604, 0.034857) |e|*Ang

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

Kinetic:        +18.994817
Potential:     -137.860066
External:        +0.000000
XC:            -305.161336
Entropy (-ST):   -1.564534
Local:          +10.514532
--------------------------
Free energy:   -415.076588
Extrapolated:  -414.294321

Fermi level: -6.50521

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57428    0.14802
  0   340     -6.55958    0.14059
  0   341     -6.55865    0.14011
  0   342     -6.53178    0.12578

  1   339     -6.47979    0.19412
  1   340     -6.43124    0.14358
  1   341     -6.39726    0.11271
  1   342     -6.39277    0.10897



Forces in eV/Ang:
  0 O     0.00000   -0.01775    1.17470
  1 Pt    0.00000   -0.00227   -0.37644
  2 Pt    0.00000   -0.01910   -0.43429
  3 O    -1.68282    0.00021   -0.71860
  4 O     1.68282    0.00021   -0.71860
  5 O     0.00000   -0.01091   -1.38855
  6 O     0.00000   -0.00275    1.76839
  7 Pt   -0.00000    0.01418    0.45156
  8 Pt    0.00000   -0.04191    0.75819
  9 O    -1.58097    0.00049    0.05098
 10 O     1.58097    0.00049    0.05098
 11 O     0.00000   -0.00881   -0.56675
 12 O    -0.00000    0.00794    0.13086
 13 Pt   -0.00000    0.27756   -0.03697
 14 Pt    0.00000   -0.02018    0.00606
 15 O    -0.00019    0.01108    0.00363
 16 O     0.00019    0.01108    0.00363
 17 O    -0.00000    0.00237   -1.03597
 18 O    -0.00000    0.00077    0.02790
 19 Pt    0.00000   -0.02080    0.11863
 20 Pt    0.00000   -0.01387    0.14925
 21 O    -0.21424    0.39052    0.23622
 22 O     0.21424    0.39052    0.23622
 23 O     0.00000   -0.01625   -0.08115
 24 O     0.00000   -0.00070    1.15064
 25 Pt   -0.00000    0.01719   -0.37904
 26 Pt    0.00000   -0.00014   -0.43453
 27 O    -1.69131    0.01340   -0.71798
 28 O     1.69131    0.01340   -0.71798
 29 O    -0.00000    0.04552   -1.39083
 30 O     0.00000   -0.00437    1.83361
 31 Pt   -0.00000    0.01885    0.51155
 32 Pt    0.00000   -0.14059    0.58243
 33 O    -1.61359   -0.01893    0.07015
 34 O     1.61359   -0.01893    0.07015
 35 O     0.00000   -0.03253   -0.52569
 36 O    -0.00000    0.21744   -0.12365
 37 Pt    0.00000   -0.30885   -0.04559
 38 Pt    0.00000   -0.00357   -0.01192
 39 O     0.01113    0.01122    0.01584
 40 O    -0.01113    0.01122    0.01584
 41 O    -0.00000    0.00874   -0.00644
 42 O    -0.00000    0.03373   -0.01499
 43 Pt    0.00000   -0.00838    0.10969
 44 Pt    0.00000   -0.10394    0.04281
 45 O    -0.21684   -0.39748    0.25167
 46 O     0.21684   -0.39748    0.25167
 47 O     0.00000   -0.02426   -0.04755
 48 O    -0.00000    0.02232    1.17264
 49 Pt    0.00000   -0.02303   -0.37851
 50 Pt   -0.00000    0.02115   -0.43653
 51 O    -1.69068   -0.01392   -0.71813
 52 O     1.69068   -0.01392   -0.71813
 53 O     0.00000   -0.01174   -1.40597
 54 O     0.00000   -0.00213    1.77671
 55 Pt    0.00000   -0.01213    0.51679
 56 Pt   -0.00000    0.12366    0.65578
 57 O    -1.61384    0.01379    0.09088
 58 O     1.61384    0.01379    0.09088
 59 O     0.00000   -0.02123   -0.51681
 60 O     0.00000   -0.20644   -0.11873
 61 Pt   -0.00000    0.01031   -0.09061
 62 Pt   -0.00000    0.01717   -0.00640
 63 O    -0.01445   -0.00805    0.00277
 64 O     0.01445   -0.00805    0.00277
 65 O     0.00000   -0.00023   -0.00205
 66 O     0.00000   -0.01215   -0.00455
 67 Pt   -0.00000    0.00617    0.02151
 68 Pt   -0.00000    0.15292    0.01597
 69 O    -0.00820   -0.00368   -0.02262
 70 O     0.00820   -0.00368   -0.02262
 71 O    -0.00000    0.00846   -0.04425
 72 N    -0.00000    0.33153    0.73457
 73 N     0.00000   -0.41446   -0.67623

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    2.662752   25.248212    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.127703   24.286552    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:58:20  -2.36   +inf  -414.302631    3      1      
iter:   2  22:00:10  -3.19  -3.16  -414.470117    3      1      
iter:   3  22:01:59  -3.67  -2.48  -414.302261    2      1      
iter:   4  22:03:47  -3.99  -3.69  -414.296419    3      1      
iter:   5  22:05:35  -3.99  -3.42  -414.298571    3      1      
iter:   6  22:07:23  -4.69  -3.76  -414.298447    2      1      
iter:   7  22:09:13  -5.11  -4.08  -414.297831    3      1      
iter:   8  22:11:02  -5.14  -4.08  -414.298131    2      1      
iter:   9  22:12:53  -5.17  -4.13  -414.297647    2      1      
iter:  10  22:14:43  -5.80  -4.35  -414.298205    2      1      
iter:  11  22:16:33  -6.53  -4.57  -414.297860    2      1      
iter:  12  22:18:23  -6.71  -4.46  -414.298216    2      1      
iter:  13  22:20:11  -6.54  -4.44  -414.298245    2      1      
iter:  14  22:22:00  -6.64  -4.62  -414.298093    2      1      
iter:  15  22:23:47  -7.15  -4.87  -414.298107    2      1      
iter:  16  22:25:33  -7.44  -5.13  -414.298028    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963090, -32.606024, 0.031578) |e|*Ang

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

Kinetic:        +18.763773
Potential:     -137.689603
External:        +0.000000
XC:            -305.103374
Entropy (-ST):   -1.564755
Local:          +10.513553
--------------------------
Free energy:   -415.080405
Extrapolated:  -414.298028

Fermi level: -6.50811

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57725    0.14806
  0   340     -6.56231    0.14051
  0   341     -6.56138    0.14002
  0   342     -6.53484    0.12587

  1   339     -6.48263    0.19406
  1   340     -6.43400    0.14345
  1   341     -6.40034    0.11286
  1   342     -6.39588    0.10914



Forces in eV/Ang:
  0 O     0.00000   -0.01774    1.17495
  1 Pt    0.00000   -0.00230   -0.37600
  2 Pt    0.00000   -0.01907   -0.43384
  3 O    -1.68331    0.00021   -0.71837
  4 O     1.68331    0.00021   -0.71837
  5 O     0.00000   -0.01095   -1.38805
  6 O     0.00000   -0.00285    1.76649
  7 Pt   -0.00000    0.01414    0.45060
  8 Pt    0.00000   -0.04201    0.75726
  9 O    -1.58124    0.00053    0.05085
 10 O     1.58124    0.00053    0.05085
 11 O     0.00000   -0.00887   -0.56733
 12 O    -0.00000    0.00805    0.13126
 13 Pt   -0.00000    0.27988   -0.03787
 14 Pt    0.00000   -0.01999    0.00564
 15 O     0.00004    0.01101    0.00353
 16 O    -0.00004    0.01101    0.00353
 17 O    -0.00000    0.00272   -1.04733
 18 O    -0.00000    0.00104    0.02842
 19 Pt    0.00000   -0.02033    0.11836
 20 Pt    0.00000   -0.01409    0.15107
 21 O    -0.21442    0.39183    0.23628
 22 O     0.21442    0.39183    0.23628
 23 O     0.00000   -0.01736   -0.08231
 24 O     0.00000   -0.00068    1.15083
 25 Pt   -0.00000    0.01723   -0.37866
 26 Pt    0.00000   -0.00012   -0.43423
 27 O    -1.69182    0.01341   -0.71778
 28 O     1.69182    0.01341   -0.71778
 29 O    -0.00000    0.04539   -1.39067
 30 O     0.00000   -0.00445    1.83154
 31 Pt   -0.00000    0.01887    0.51069
 32 Pt    0.00000   -0.14036    0.58220
 33 O    -1.61379   -0.01902    0.07001
 34 O     1.61379   -0.01902    0.07001
 35 O     0.00000   -0.03255   -0.52597
 36 O    -0.00000    0.21875   -0.12416
 37 Pt    0.00000   -0.31138   -0.04658
 38 Pt    0.00000   -0.00344   -0.01254
 39 O     0.01126    0.01138    0.01578
 40 O    -0.01126    0.01138    0.01578
 41 O    -0.00000    0.00871   -0.00977
 42 O    -0.00000    0.03388   -0.01492
 43 Pt    0.00000   -0.00882    0.10800
 44 Pt    0.00000   -0.10439    0.03884
 45 O    -0.21713   -0.39945    0.25084
 46 O     0.21713   -0.39945    0.25084
 47 O     0.00000   -0.02361   -0.04928
 48 O    -0.00000    0.02229    1.17285
 49 Pt    0.00000   -0.02303   -0.37820
 50 Pt   -0.00000    0.02111   -0.43616
 51 O    -1.69121   -0.01393   -0.71794
 52 O     1.69121   -0.01393   -0.71794
 53 O     0.00000   -0.01158   -1.40570
 54 O     0.00000   -0.00196    1.77479
 55 Pt    0.00000   -0.01213    0.51606
 56 Pt   -0.00000    0.12354    0.65538
 57 O    -1.61401    0.01383    0.09072
 58 O     1.61401    0.01383    0.09072
 59 O     0.00000   -0.02115   -0.51726
 60 O     0.00000   -0.20787   -0.11924
 61 Pt   -0.00000    0.01047   -0.09223
 62 Pt   -0.00000    0.01684   -0.00706
 63 O    -0.01454   -0.00812    0.00267
 64 O     0.01454   -0.00812    0.00267
 65 O     0.00000   -0.00013   -0.00564
 66 O     0.00000   -0.01259   -0.00437
 67 Pt   -0.00000    0.00621    0.01927
 68 Pt   -0.00000    0.15258    0.01439
 69 O    -0.00806   -0.00349   -0.02389
 70 O     0.00806   -0.00349   -0.02389
 71 O    -0.00000    0.00882   -0.04488
 72 N    -0.00000    0.26444    0.58783
 73 N     0.00000   -0.27859   -0.46844

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    2.650264   25.286212    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.131641   24.313833    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:45:07  -2.36   +inf  -414.311202    3      1      
iter:   2  22:46:57  -3.17  -3.14  -414.480340    3      1      
iter:   3  22:48:47  -3.65  -2.46  -414.304686    3      1      
iter:   4  22:50:35  -3.87  -3.61  -414.306737    3      1      
iter:   5  22:52:23  -3.99  -3.51  -414.299908    3      1      
iter:   6  22:54:11  -4.73  -3.73  -414.302127    3      1      
iter:   7  22:56:00  -5.11  -4.15  -414.301738    3      1      
iter:   8  22:57:50  -5.05  -4.16  -414.302999    2      1      
iter:   9  22:59:40  -5.56  -3.59  -414.302087    2      1      
iter:  10  23:01:32  -5.55  -3.60  -414.301733    2      1      
iter:  11  23:03:24  -5.99  -4.54  -414.301423    2      1      
iter:  12  23:05:15  -6.37  -4.58  -414.301898    2      1      
iter:  13  23:07:06  -6.81  -4.63  -414.301572    2      1      
iter:  14  23:08:57  -6.98  -4.71  -414.301690    2      1      
iter:  15  23:10:47  -7.43  -4.68  -414.301731    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963097, -32.603291, 0.027494) |e|*Ang

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

Kinetic:        +18.472563
Potential:     -137.461705
External:        +0.000000
XC:            -305.040058
Entropy (-ST):   -1.564784
Local:          +10.509861
--------------------------
Free energy:   -415.084123
Extrapolated:  -414.301731

Fermi level: -6.51117

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57987    0.14785
  0   340     -6.56553    0.14058
  0   341     -6.56465    0.14013
  0   342     -6.53788    0.12586

  1   339     -6.48579    0.19417
  1   340     -6.43720    0.14358
  1   341     -6.40357    0.11300
  1   342     -6.39903    0.10922



Forces in eV/Ang:
  0 O     0.00000   -0.01771    1.17464
  1 Pt    0.00000   -0.00234   -0.37577
  2 Pt    0.00000   -0.01907   -0.43417
  3 O    -1.68239    0.00020   -0.71862
  4 O     1.68239    0.00020   -0.71862
  5 O     0.00000   -0.01098   -1.38815
  6 O     0.00000   -0.00290    1.77035
  7 Pt   -0.00000    0.01410    0.45300
  8 Pt    0.00000   -0.04203    0.75868
  9 O    -1.58120    0.00054    0.05160
 10 O     1.58120    0.00054    0.05160
 11 O     0.00000   -0.00890   -0.56664
 12 O    -0.00000    0.00819    0.13223
 13 Pt   -0.00000    0.28226   -0.03515
 14 Pt    0.00000   -0.01984    0.00747
 15 O    -0.00017    0.01103    0.00423
 16 O     0.00017    0.01103    0.00423
 17 O    -0.00000    0.00301   -1.05085
 18 O    -0.00000    0.00111    0.02860
 19 Pt    0.00000   -0.01966    0.12060
 20 Pt    0.00000   -0.01367    0.15599
 21 O    -0.21537    0.39364    0.23712
 22 O     0.21537    0.39364    0.23712
 23 O     0.00000   -0.01801   -0.08328
 24 O     0.00000   -0.00067    1.15055
 25 Pt   -0.00000    0.01731   -0.37849
 26 Pt    0.00000   -0.00012   -0.43457
 27 O    -1.69090    0.01343   -0.71803
 28 O     1.69090    0.01343   -0.71803
 29 O    -0.00000    0.04528   -1.39101
 30 O     0.00000   -0.00449    1.83558
 31 Pt   -0.00000    0.01896    0.51316
 32 Pt    0.00000   -0.14008    0.58425
 33 O    -1.61373   -0.01901    0.07076
 34 O     1.61373   -0.01901    0.07076
 35 O     0.00000   -0.03256   -0.52505
 36 O    -0.00000    0.21988   -0.12427
 37 Pt    0.00000   -0.31397   -0.04401
 38 Pt    0.00000   -0.00333   -0.01139
 39 O     0.01097    0.01139    0.01647
 40 O    -0.01097    0.01139    0.01647
 41 O    -0.00000    0.00878   -0.00445
 42 O    -0.00000    0.03391   -0.01510
 43 Pt    0.00000   -0.00954    0.11007
 44 Pt    0.00000   -0.10530    0.03878
 45 O    -0.21847   -0.40191    0.25155
 46 O     0.21847   -0.40191    0.25155
 47 O     0.00000   -0.02333   -0.05035
 48 O    -0.00000    0.02226    1.17254
 49 Pt    0.00000   -0.02307   -0.37808
 50 Pt   -0.00000    0.02110   -0.43653
 51 O    -1.69030   -0.01395   -0.71819
 52 O     1.69030   -0.01395   -0.71819
 53 O     0.00000   -0.01144   -1.40597
 54 O     0.00000   -0.00186    1.77875
 55 Pt    0.00000   -0.01217    0.51864
 56 Pt   -0.00000    0.12329    0.65733
 57 O    -1.61393    0.01381    0.09146
 58 O     1.61393    0.01381    0.09146
 59 O     0.00000   -0.02110   -0.51641
 60 O     0.00000   -0.20913   -0.11923
 61 Pt   -0.00000    0.01064   -0.09045
 62 Pt   -0.00000    0.01658   -0.00566
 63 O    -0.01502   -0.00815    0.00318
 64 O     0.01502   -0.00815    0.00318
 65 O     0.00000   -0.00002   -0.00095
 66 O     0.00000   -0.01271   -0.00453
 67 Pt   -0.00000    0.00622    0.01988
 68 Pt   -0.00000    0.15229    0.01518
 69 O    -0.00914   -0.00336   -0.02443
 70 O     0.00914   -0.00336   -0.02443
 71 O    -0.00000    0.00920   -0.04542
 72 N    -0.00000    0.08425    0.36935
 73 N     0.00000   -0.18763   -0.23223

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    2.637836   25.324233    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.135493   24.341285    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:29:32  -2.35   +inf  -414.328915    3      1      
iter:   2  23:31:23  -3.06  -2.87  -415.058615    3      1      
iter:   3  23:33:14  -3.48  -2.17  -414.309013    3      1      
iter:   4  23:35:04  -3.95  -3.46  -414.308989    3      1      
iter:   5  23:36:54  -3.97  -3.57  -414.301583    3      1      
iter:   6  23:38:48  -4.21  -3.49  -414.305103    3      1      
iter:   7  23:40:42  -5.11  -3.93  -414.305004    3      1      
iter:   8  23:42:33  -5.29  -4.18  -414.304993    2      1      
iter:   9  23:44:23  -5.15  -4.02  -414.308938    3      1      
iter:  10  23:46:13  -5.22  -3.27  -414.305229    2      1      
iter:  11  23:48:02  -5.78  -4.40  -414.304631    2      1      
iter:  12  23:49:53  -6.24  -4.39  -414.305376    3      1      
iter:  13  23:51:43  -6.47  -4.34  -414.304800    2      1      
iter:  14  23:53:32  -6.46  -4.77  -414.304908    2      1      
iter:  15  23:55:19  -6.63  -4.97  -414.304920    2      1      
iter:  16  23:57:05  -7.46  -5.01  -414.304940    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963147, -32.600685, 0.023453) |e|*Ang

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

Kinetic:        +18.124191
Potential:     -137.187566
External:        +0.000000
XC:            -304.967299
Entropy (-ST):   -1.564838
Local:          +10.508153
--------------------------
Free energy:   -415.087359
Extrapolated:  -414.304940

Fermi level: -6.51452

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58295    0.14771
  0   340     -6.56890    0.14060
  0   341     -6.56806    0.14016
  0   342     -6.54126    0.12588

  1   339     -6.48909    0.19412
  1   340     -6.44060    0.14363
  1   341     -6.40709    0.11315
  1   342     -6.40248    0.10930



Forces in eV/Ang:
  0 O     0.00000   -0.01780    1.17473
  1 Pt    0.00000   -0.00236   -0.37586
  2 Pt    0.00000   -0.01917   -0.43391
  3 O    -1.68219    0.00024   -0.71826
  4 O     1.68219    0.00024   -0.71826
  5 O     0.00000   -0.01090   -1.38811
  6 O     0.00000   -0.00270    1.77072
  7 Pt   -0.00000    0.01409    0.45325
  8 Pt    0.00000   -0.04180    0.75918
  9 O    -1.58079    0.00046    0.05205
 10 O     1.58079    0.00046    0.05205
 11 O     0.00000   -0.00876   -0.56611
 12 O    -0.00000    0.00810    0.13272
 13 Pt   -0.00000    0.28400   -0.03548
 14 Pt    0.00000   -0.02014    0.00697
 15 O    -0.00013    0.01112    0.00407
 16 O     0.00013    0.01112    0.00407
 17 O    -0.00000    0.00304   -1.05810
 18 O    -0.00000    0.00084    0.02812
 19 Pt    0.00000   -0.01919    0.12203
 20 Pt    0.00000   -0.01245    0.16339
 21 O    -0.21636    0.39485    0.23749
 22 O     0.21636    0.39485    0.23749
 23 O     0.00000   -0.01761   -0.08417
 24 O     0.00000   -0.00072    1.15059
 25 Pt   -0.00000    0.01726   -0.37840
 26 Pt    0.00000   -0.00017   -0.43412
 27 O    -1.69063    0.01333   -0.71764
 28 O     1.69063    0.01333   -0.71764
 29 O    -0.00000    0.04525   -1.39055
 30 O     0.00000   -0.00434    1.83663
 31 Pt   -0.00000    0.01900    0.51338
 32 Pt    0.00000   -0.13969    0.58468
 33 O    -1.61344   -0.01885    0.07122
 34 O     1.61344   -0.01885    0.07122
 35 O     0.00000   -0.03250   -0.52505
 36 O    -0.00000    0.22032   -0.12403
 37 Pt    0.00000   -0.31581   -0.04460
 38 Pt    0.00000   -0.00356   -0.01168
 39 O     0.01122    0.01121    0.01633
 40 O    -0.01122    0.01121    0.01633
 41 O    -0.00000    0.00903   -0.00349
 42 O    -0.00000    0.03419   -0.01530
 43 Pt    0.00000   -0.00956    0.11354
 44 Pt    0.00000   -0.10748    0.04106
 45 O    -0.22007   -0.40367    0.25402
 46 O     0.22007   -0.40367    0.25402
 47 O     0.00000   -0.02342   -0.05113
 48 O    -0.00000    0.02241    1.17263
 49 Pt    0.00000   -0.02300   -0.37785
 50 Pt   -0.00000    0.02125   -0.43621
 51 O    -1.68999   -0.01388   -0.71777
 52 O     1.68999   -0.01388   -0.71777
 53 O     0.00000   -0.01149   -1.40576
 54 O     0.00000   -0.00220    1.77935
 55 Pt    0.00000   -0.01219    0.51875
 56 Pt   -0.00000    0.12267    0.65789
 57 O    -1.61378    0.01373    0.09186
 58 O     1.61378    0.01373    0.09186
 59 O     0.00000   -0.02132   -0.51616
 60 O     0.00000   -0.20948   -0.11904
 61 Pt   -0.00000    0.01066   -0.09105
 62 Pt   -0.00000    0.01711   -0.00594
 63 O    -0.01456   -0.00807    0.00318
 64 O     0.01456   -0.00807    0.00318
 65 O     0.00000    0.00007   -0.00026
 66 O     0.00000   -0.01271   -0.00512
 67 Pt   -0.00000    0.00576    0.02080
 68 Pt   -0.00000    0.15274    0.01551
 69 O    -0.00901   -0.00338   -0.02400
 70 O     0.00901   -0.00338   -0.02400
 71 O    -0.00000    0.00888   -0.04616
 72 N    -0.00000    0.06736    0.08581
 73 N     0.00000   -0.06851    0.00154

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    2.626678   25.359582    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.138582   24.366638    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:14:04  -2.42   +inf  -414.370119    3      1      
iter:   2  00:15:54  -2.89  -2.66  -416.290251    3      1      
iter:   3  00:17:45  -3.28  -1.97  -414.322529    3      1      
iter:   4  00:19:34  -3.80  -3.08  -414.310834    3      1      
iter:   5  00:21:22  -4.00  -3.68  -414.303697    2      1      
iter:   6  00:23:11  -4.18  -3.44  -414.306440    3      1      
iter:   7  00:24:59  -5.01  -3.74  -414.306417    3      1      
iter:   8  00:26:48  -5.20  -3.99  -414.306693    2      1      
iter:   9  00:28:38  -5.21  -4.09  -414.308557    2      1      
iter:  10  00:30:28  -5.35  -3.32  -414.307094    3      1      
iter:  11  00:32:18  -5.47  -4.10  -414.305478    3      1      
iter:  12  00:34:08  -5.83  -4.02  -414.306838    3      1      
iter:  13  00:35:56  -6.13  -4.23  -414.306234    2      1      
