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

User:   hao@node063.cluster
Date:   Wed Jan 19 04:12:49 2022
Arch:   x86_64
Pid:    32401
Python: 3.6.12
gpaw:   /software/kemi/gpaw/1.5.1/gpaw
_gpaw:  /software/kemi/gpaw/1.5.1/bin/gpaw-python
ase:    /software/kemi/ase/3.17.0/ase (version 3.17.0)
numpy:  /opt/rh/rh-python36/root/usr/lib64/python3.6/site-packages/numpy (version 1.13.1)
scipy:  /opt/rh/rh-python36/root/usr/lib64/python3.6/site-packages/scipy (version 0.19.1)
units:  Angstrom and eV
cores:  120

Input parameters:
  h: 0.18
  kpts: [3 3 1]
  xc: RPBE

System changes: positions, numbers, cell, pbc, initial_charges, initial_magmoms 

Initialize ...

O-setup:
  name: Oxygen
  id: 08071ca1eed670e7821b24b7eb4d558c
  Z: 8
  valence: 6
  core: 2
  charge: 0.0
  file: /software/kemi/gpaw-setups/0.9.20000/O.RPBE.gz
  cutoffs: 0.67(comp), 1.17(filt), 0.83(core), lmax=2
  valence states:
                energy  radius
    2s(2.00)   -24.041   0.688
    2p(4.00)    -8.984   0.598
    *s           3.170   0.688
    *p          18.228   0.598
    *d           0.000   0.619

  Using partial waves for O as LCAO basis

Pt-setup:
  name: Platinum
  id: f04f522592575c47ad794f6b4a415b4b
  Z: 78
  valence: 16
  core: 62
  charge: 0.0
  file: /software/kemi/gpaw-setups/0.9.20000/Pt.RPBE.gz
  cutoffs: 1.29(comp), 2.26(filt), 2.26(core), lmax=2
  valence states:
                energy  radius
    6s(1.00)    -5.516   1.307
    5p(6.00)   -55.971   1.371
    6p(0.00)    -0.856   1.371
    5d(9.00)    -6.087   1.307
    *s          21.695   1.307
    *d          21.125   1.307

  Using partial waves for Pt as LCAO basis

N-setup:
  name: Nitrogen
  id: ee8436d228dc42b9589ef0e60c8ce05c
  Z: 7
  valence: 5
  core: 2
  charge: 0.0
  file: /software/kemi/gpaw-setups/0.9.20000/N.RPBE.gz
  cutoffs: 0.58(comp), 1.11(filt), 0.96(core), lmax=2
  valence states:
                energy  radius
    2s(2.00)   -18.658   0.603
    2p(3.00)    -7.050   0.529
    *s           8.553   0.603
    *p          20.161   0.529
    *d           0.000   0.577

  Using partial waves for N as LCAO basis

Reference energy: -12110383.864724

Spin-paired calculation

Occupation numbers:
  Fermi-Dirac: width=0.1000 eV

Convergence criteria:
  Maximum total energy change: 0.0005 eV / electron
  Maximum integral of absolute density change: 0.0001 electrons
  Maximum integral of absolute eigenstate change: 4e-08 eV^2
  Maximum number of iterations: 333

Symmetries present (total): 2

  ( 1  0  0)  (-1  0  0)
  ( 0  1  0)  ( 0  1  0)
  ( 0  0  1)  ( 0  0  1)

9 k-points: 3 x 3 x 1 Monkhorst-Pack grid
4 k-points in the irreducible part of the Brillouin zone
       k-points in crystal coordinates                weights
   0:     0.00000000    0.00000000    0.00000000          1/9
   1:     0.00000000    0.33333333    0.00000000          2/9
   2:     0.33333333    0.00000000    0.00000000          2/9
   3:     0.33333333    0.33333333    0.00000000          4/9

Wave functions: Uniform real-space grid
  Kinetic energy operator: 6*3+1=19 point O(h^6) finite-difference Laplacian
  ScaLapack parameters: grid=1x1, blocksize=None
  Wavefunction extrapolation:
    Improved wavefunction reuse through dual PAW basis 

Eigensolver
   Davidson(niter=2, smin=None, normalize=True) 

Densities:
  Coarse grid: 36*56*184 grid
  Fine grid: 72*112*368 grid
  Total Charge: 0.000000 

Density mixing:
  Method: separate
  Backend: pulay
  Linear mixing parameter: 0.05
  Mixing with 5 old densities
  Damping of long wave oscillations: 50 

Hamiltonian:
  XC and Coulomb potentials evaluated on a 72*112*368 grid
  Using the RPBE Exchange-Correlation functional
  Interpolation: tri-quintic (5. degree polynomial)
  Poisson solver: FastPoissonSolver using
    6*3+1=19 point O(h^6) finite-difference Laplacian stencil;
    FFT axes: [0, 1];
    FST axes: [2].
 

XC parameters: RPBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 126.04 MiB
  Calculator: 871.48 MiB
    Density: 59.13 MiB
      Arrays: 12.18 MiB
      Localized functions: 42.34 MiB
      Mixer: 4.61 MiB
    Hamiltonian: 10.65 MiB
      Arrays: 7.97 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 2.68 MiB
    Wavefunctions: 801.70 MiB
      Arrays psit_nG: 382.06 MiB
      Eigensolver: 412.84 MiB
      Projections: 1.14 MiB
      Projectors: 5.66 MiB

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

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

... initialized

Initializing position-dependent things.

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

                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt  O   O  O           
             O Pt  Pt              
        OPt   O      O             
           O Pt Pt                 
               O   OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.466742   23.790885    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.367817   23.691865    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:15:40  +0.87   +inf  -535.877622    4      1      
iter:   2  04:17:47  -0.13  -1.04  -494.184810    36     1      
iter:   3  04:19:53  +0.12  -1.11  -650.996843    3      1      
iter:   4  04:21:59  -0.25  -0.98  -422.701827    37     1      
iter:   5  04:24:05  -0.59  -1.42  -423.302098    35     1      
iter:   6  04:26:11  -1.52  -1.42  -420.935587    4      1      
iter:   7  04:28:17  -1.89  -1.45  -418.294911    3      1      
iter:   8  04:30:24  -1.88  -1.49  -417.699976    3      1      
iter:   9  04:32:30  -1.59  -1.53  -432.835502    33     1      
iter:  10  04:34:38  -1.56  -1.45  -418.871407    4      1      
iter:  11  04:36:47  -1.62  -1.59  -417.217043    4      1      
iter:  12  04:38:56  -2.17  -1.75  -416.164390    4      1      
iter:  13  04:41:04  -2.21  -1.79  -415.006357    4      1      
iter:  14  04:43:12  -2.38  -1.95  -415.868156    3      1      
iter:  15  04:45:21  -2.42  -1.82  -414.330877    3      1      
iter:  16  04:47:30  -2.55  -1.94  -414.168617    3      1      
iter:  17  04:49:38  -2.78  -2.00  -414.211132    3      1      
iter:  18  04:51:47  -2.52  -2.15  -414.069038    4      1      
iter:  19  04:53:56  -2.74  -2.39  -413.985095    4      1      
iter:  20  04:56:04  -3.32  -2.66  -413.977251    3      1      
iter:  21  04:58:12  -3.44  -2.64  -413.976377    3      1      
iter:  22  05:00:21  -3.40  -2.68  -414.064810    3      1      
iter:  23  05:02:29  -3.70  -2.55  -413.971533    3      1      
iter:  24  05:04:38  -4.09  -2.79  -413.964623    3      1      
iter:  25  05:06:46  -4.24  -2.85  -413.964165    3      1      
iter:  26  05:08:55  -4.13  -2.92  -413.961428    2      1      
iter:  27  05:11:02  -4.10  -3.00  -413.961033    3      1      
iter:  28  05:13:11  -4.40  -3.14  -413.960187    2      1      
iter:  29  05:15:20  -4.47  -3.25  -413.959813    3      1      
iter:  30  05:17:28  -5.08  -3.36  -413.960480    3      1      
iter:  31  05:19:37  -5.20  -3.44  -413.959145    3      1      
iter:  32  05:21:46  -5.11  -3.58  -413.961219    2      1      
iter:  33  05:23:54  -5.35  -3.59  -413.959316    2      1      
iter:  34  05:26:03  -5.90  -3.76  -413.959605    2      1      
iter:  35  05:28:05  -6.29  -3.80  -413.959760    2      1      
iter:  36  05:30:08  -6.24  -4.05  -413.959847    2      1      
iter:  37  05:32:13  -6.59  -4.16  -413.959589    2      1      
iter:  38  05:34:22  -6.65  -4.23  -413.959571    2      1      
iter:  39  05:36:30  -7.03  -4.52  -413.959447    2      1      
iter:  40  05:38:30  -7.26  -4.69  -413.959488    2      1      
iter:  41  05:40:31  -7.78  -4.84  -413.959427    2      1      

Converged after 41 iterations.

Dipole moment: (-55.962082, -32.553646, 0.059963) |e|*Ang

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

Kinetic:        +20.066983
Potential:     -138.014685
External:        +0.000000
XC:            -305.724414
Entropy (-ST):   -1.564795
Local:          +10.495087
--------------------------
Free energy:   -414.741824
Extrapolated:  -413.959427

Fermi level: -6.48408

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55813    0.15047
  0   340     -6.53884    0.14079
  0   341     -6.53742    0.14006
  0   342     -6.50639    0.12346

  1   339     -6.45958    0.19513
  1   340     -6.41067    0.14413
  1   341     -6.37886    0.11502
  1   342     -6.36254    0.10167



Forces in eV/Ang:
  0 O     0.00000   -0.01699    1.17163
  1 Pt    0.00000   -0.00193   -0.37207
  2 Pt    0.00000   -0.01894   -0.43212
  3 O    -1.68293    0.00024   -0.71951
  4 O     1.68293    0.00024   -0.71951
  5 O     0.00000   -0.01287   -1.38655
  6 O     0.00000   -0.00244    1.77040
  7 Pt   -0.00000    0.01363    0.45177
  8 Pt    0.00000   -0.03680    0.75016
  9 O    -1.58106    0.00049    0.05241
 10 O     1.58106    0.00049    0.05241
 11 O     0.00000   -0.00896   -0.56452
 12 O    -0.00000    0.01275    0.14050
 13 Pt   -0.00000    0.26223   -0.03740
 14 Pt    0.00000   -0.01847    0.00947
 15 O    -0.00110    0.00892    0.00357
 16 O     0.00110    0.00892    0.00357
 17 O    -0.00000    0.01549   -0.98640
 18 O    -0.00000    0.00434    0.02449
 19 Pt    0.00000   -0.02590    0.11738
 20 Pt    0.00000   -0.05900    0.14190
 21 O    -0.20036    0.35771    0.21124
 22 O     0.20036    0.35771    0.21124
 23 O     0.00000   -0.01673   -0.08177
 24 O     0.00000   -0.00129    1.14774
 25 Pt   -0.00000    0.01582   -0.37591
 26 Pt    0.00000   -0.00022   -0.43265
 27 O    -1.69166    0.01341   -0.71862
 28 O     1.69166    0.01341   -0.71862
 29 O    -0.00000    0.04776   -1.38531
 30 O     0.00000   -0.00486    1.83595
 31 Pt   -0.00000    0.01935    0.51069
 32 Pt    0.00000   -0.14731    0.56912
 33 O    -1.61517   -0.01908    0.07116
 34 O     1.61517   -0.01908    0.07116
 35 O     0.00000   -0.03231   -0.52337
 36 O    -0.00000    0.20590   -0.10222
 37 Pt    0.00000   -0.31178   -0.03437
 38 Pt    0.00000   -0.00548   -0.01031
 39 O     0.00906    0.01162    0.01456
 40 O    -0.00906    0.01162    0.01456
 41 O     0.00000    0.00136    0.03805
 42 O    -0.00000    0.02623   -0.01464
 43 Pt    0.00000   -0.00199    0.01059
 44 Pt    0.00000   -0.12298    0.00872
 45 O    -0.07730   -0.34762   -0.06647
 46 O     0.07730   -0.34762   -0.06647
 47 O     0.00000   -0.02132   -0.05193
 48 O    -0.00000    0.02209    1.16969
 49 Pt    0.00000   -0.02192   -0.37424
 50 Pt   -0.00000    0.02107   -0.43303
 51 O    -1.69076   -0.01397   -0.71906
 52 O     1.69076   -0.01397   -0.71906
 53 O     0.00000   -0.01226   -1.40464
 54 O     0.00000   -0.00193    1.77744
 55 Pt    0.00000   -0.01213    0.51703
 56 Pt   -0.00000    0.12608    0.64642
 57 O    -1.61424    0.01385    0.09298
 58 O     1.61424    0.01385    0.09298
 59 O     0.00000   -0.02127   -0.51521
 60 O     0.00000   -0.19776   -0.10539
 61 Pt   -0.00000    0.01958   -0.08797
 62 Pt   -0.00000    0.01773   -0.00753
 63 O    -0.01443   -0.00661    0.00330
 64 O     0.01443   -0.00661    0.00330
 65 O     0.00000    0.00071    0.00406
 66 O     0.00000   -0.01057   -0.00121
 67 Pt   -0.00000    0.00773    0.02148
 68 Pt   -0.00000    0.14990    0.02090
 69 O    -0.00287    0.01139   -0.03048
 70 O     0.00287    0.01139   -0.03048
 71 O    -0.00000    0.00780   -0.04497
 72 N    -0.00000    0.56801    0.64147
 73 N     0.00000   -0.53536    0.11298

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    3.468730   23.793888    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.365141   23.692152    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:49:37  -3.98   +inf  -413.988956    3      1      
iter:   2  05:51:43  -3.42  -2.85  -414.876398    3      1      
iter:   3  05:53:50  -3.72  -2.14  -413.974971    3      1      
iter:   4  05:55:58  -4.38  -3.31  -413.966047    3      1      
iter:   5  05:58:06  -4.78  -3.51  -413.964586    3      1      
iter:   6  06:00:14  -5.19  -3.95  -413.964217    3      1      
iter:   7  06:02:23  -5.01  -3.75  -413.962334    3      1      
iter:   8  06:04:31  -5.06  -4.08  -413.962512    3      1      
iter:   9  06:06:39  -5.62  -4.20  -413.962351    2      1      
iter:  10  06:08:48  -6.36  -4.26  -413.962556    2      1      
iter:  11  06:10:56  -6.46  -4.43  -413.962186    2      1      
iter:  12  06:13:05  -6.67  -4.50  -413.962586    2      1      
iter:  13  06:15:13  -6.59  -4.34  -413.962412    2      1      
iter:  14  06:17:22  -6.71  -4.46  -413.962469    2      1      
iter:  15  06:19:30  -6.98  -4.84  -413.962438    2      1      
iter:  16  06:21:39  -7.06  -4.92  -413.962354    2      1      
iter:  17  06:23:47  -7.60  -4.95  -413.962386    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962038, -32.553160, 0.058860) |e|*Ang

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

Kinetic:        +19.332686
Potential:     -137.449997
External:        +0.000000
XC:            -305.564317
Entropy (-ST):   -1.564669
Local:          +10.501576
--------------------------
Free energy:   -414.744721
Extrapolated:  -413.962386

Fermi level: -6.48486

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55915    0.15059
  0   340     -6.53969    0.14083
  0   341     -6.53827    0.14010
  0   342     -6.50718    0.12346

  1   339     -6.46028    0.19505
  1   340     -6.41154    0.14421
  1   341     -6.37977    0.11513
  1   342     -6.36322    0.10159



Forces in eV/Ang:
  0 O     0.00000   -0.01695    1.17353
  1 Pt    0.00000   -0.00195   -0.37277
  2 Pt    0.00000   -0.01894   -0.43374
  3 O    -1.68304    0.00026   -0.71851
  4 O     1.68304    0.00026   -0.71851
  5 O     0.00000   -0.01284   -1.38582
  6 O     0.00000   -0.00245    1.76772
  7 Pt   -0.00000    0.01365    0.45123
  8 Pt    0.00000   -0.03676    0.74941
  9 O    -1.58072    0.00051    0.05188
 10 O     1.58072    0.00051    0.05188
 11 O     0.00000   -0.00897   -0.56466
 12 O    -0.00000    0.01275    0.14097
 13 Pt   -0.00000    0.26283   -0.03569
 14 Pt    0.00000   -0.01829    0.01034
 15 O    -0.00169    0.00907    0.00351
 16 O     0.00169    0.00907    0.00351
 17 O    -0.00000    0.01540   -0.98530
 18 O    -0.00000    0.00489    0.02354
 19 Pt    0.00000   -0.02599    0.11431
 20 Pt    0.00000   -0.05243    0.15244
 21 O    -0.20250    0.35781    0.20384
 22 O     0.20250    0.35781    0.20384
 23 O     0.00000   -0.01740   -0.08542
 24 O     0.00000   -0.00131    1.14960
 25 Pt   -0.00000    0.01583   -0.37664
 26 Pt    0.00000   -0.00024   -0.43426
 27 O    -1.69179    0.01340   -0.71761
 28 O     1.69179    0.01340   -0.71761
 29 O    -0.00000    0.04777   -1.38451
 30 O     0.00000   -0.00480    1.83329
 31 Pt   -0.00000    0.01931    0.51015
 32 Pt    0.00000   -0.14731    0.56839
 33 O    -1.61482   -0.01912    0.07062
 34 O     1.61482   -0.01912    0.07062
 35 O     0.00000   -0.03230   -0.52353
 36 O    -0.00000    0.20566   -0.10149
 37 Pt    0.00000   -0.31222   -0.03227
 38 Pt    0.00000   -0.00575   -0.00947
 39 O     0.00830    0.01153    0.01503
 40 O    -0.00830    0.01153    0.01503
 41 O     0.00000    0.00132    0.03814
 42 O    -0.00000    0.02554   -0.01554
 43 Pt    0.00000   -0.00215    0.00800
 44 Pt    0.00000   -0.12689    0.00919
 45 O    -0.08010   -0.34789   -0.07199
 46 O     0.08010   -0.34789   -0.07199
 47 O     0.00000   -0.02031   -0.05579
 48 O    -0.00000    0.02207    1.17157
 49 Pt    0.00000   -0.02190   -0.37496
 50 Pt   -0.00000    0.02108   -0.43463
 51 O    -1.69088   -0.01398   -0.71806
 52 O     1.69088   -0.01398   -0.71806
 53 O     0.00000   -0.01229   -1.40385
 54 O     0.00000   -0.00198    1.77479
 55 Pt    0.00000   -0.01213    0.51645
 56 Pt   -0.00000    0.12603    0.64587
 57 O    -1.61388    0.01386    0.09246
 58 O     1.61388    0.01386    0.09246
 59 O     0.00000   -0.02127   -0.51545
 60 O     0.00000   -0.19758   -0.10480
 61 Pt   -0.00000    0.01932   -0.08674
 62 Pt   -0.00000    0.01780   -0.00694
 63 O    -0.01494   -0.00667    0.00337
 64 O     0.01494   -0.00667    0.00337
 65 O     0.00000    0.00089    0.00426
 66 O     0.00000   -0.01056   -0.00209
 67 Pt   -0.00000    0.00781    0.01871
 68 Pt   -0.00000    0.14948    0.01372
 69 O    -0.00483    0.01183   -0.03768
 70 O     0.00483    0.01183   -0.03768
 71 O    -0.00000    0.00750   -0.04976
 72 N     0.00000   -0.11430    0.58345
 73 N    -0.00000    0.12893    0.17990

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    3.465916   23.803108    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.368424   23.695222    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:55:28  -3.53   +inf  -414.024766    4      1      
iter:   2  06:57:34  -3.29  -2.81  -415.046018    4      1      
iter:   3  06:59:41  -3.60  -2.10  -413.976100    3      1      
iter:   4  07:01:48  -4.28  -3.05  -413.972816    3      1      
iter:   5  07:03:56  -5.04  -3.61  -413.969347    3      1      
iter:   6  07:06:03  -4.95  -3.68  -413.966866    3      1      
iter:   7  07:08:12  -5.39  -3.95  -413.967581    3      1      
iter:   8  07:10:20  -5.04  -3.84  -413.967430    3      1      
iter:   9  07:12:28  -5.67  -4.27  -413.967228    2      1      
iter:  10  07:14:36  -5.63  -4.26  -413.967648    2      1      
iter:  11  07:16:45  -6.18  -4.29  -413.967088    2      1      
iter:  12  07:18:54  -6.54  -4.15  -413.967293    2      1      
iter:  13  07:21:03  -6.54  -4.28  -413.967328    2      1      
iter:  14  07:23:11  -6.47  -4.65  -413.967187    2      1      
iter:  15  07:25:20  -6.78  -4.52  -413.967185    2      1      
iter:  16  07:27:30  -6.86  -4.68  -413.967166    2      1      
iter:  17  07:29:37  -7.11  -4.82  -413.967334    2      1      
iter:  18  07:31:46  -7.42  -4.91  -413.967241    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962085, -32.554192, 0.059733) |e|*Ang

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

Kinetic:        +20.152945
Potential:     -138.106991
External:        +0.000000
XC:            -305.734936
Entropy (-ST):   -1.564670
Local:          +10.504076
--------------------------
Free energy:   -414.749576
Extrapolated:  -413.967241

Fermi level: -6.48396

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55774    0.15034
  0   340     -6.53881    0.14085
  0   341     -6.53742    0.14013
  0   342     -6.50619    0.12342

  1   339     -6.45944    0.19512
  1   340     -6.41064    0.14423
  1   341     -6.37862    0.11492
  1   342     -6.36238    0.10164



Forces in eV/Ang:
  0 O     0.00000   -0.01699    1.17300
  1 Pt    0.00000   -0.00194   -0.37310
  2 Pt    0.00000   -0.01896   -0.43410
  3 O    -1.68275    0.00023   -0.71881
  4 O     1.68275    0.00023   -0.71881
  5 O     0.00000   -0.01278   -1.38569
  6 O     0.00000   -0.00243    1.76966
  7 Pt   -0.00000    0.01372    0.45178
  8 Pt    0.00000   -0.03692    0.75012
  9 O    -1.58085    0.00053    0.05195
 10 O     1.58085    0.00053    0.05195
 11 O     0.00000   -0.00898   -0.56449
 12 O    -0.00000    0.01249    0.14078
 13 Pt   -0.00000    0.26232   -0.03633
 14 Pt    0.00000   -0.01854    0.00963
 15 O    -0.00200    0.00910    0.00307
 16 O     0.00200    0.00910    0.00307
 17 O    -0.00000    0.01491   -0.98305
 18 O    -0.00000    0.00443    0.02346
 19 Pt    0.00000   -0.02566    0.11921
 20 Pt    0.00000   -0.05759    0.14127
 21 O    -0.20223    0.35877    0.20872
 22 O     0.20223    0.35877    0.20872
 23 O     0.00000   -0.01620   -0.08324
 24 O     0.00000   -0.00128    1.14906
 25 Pt   -0.00000    0.01585   -0.37691
 26 Pt    0.00000   -0.00021   -0.43464
 27 O    -1.69148    0.01343   -0.71792
 28 O     1.69148    0.01343   -0.71792
 29 O    -0.00000    0.04772   -1.38442
 30 O     0.00000   -0.00485    1.83509
 31 Pt   -0.00000    0.01927    0.51070
 32 Pt    0.00000   -0.14721    0.56912
 33 O    -1.61494   -0.01910    0.07069
 34 O     1.61494   -0.01910    0.07069
 35 O     0.00000   -0.03233   -0.52339
 36 O    -0.00000    0.20571   -0.10200
 37 Pt    0.00000   -0.31088   -0.03344
 38 Pt    0.00000   -0.00537   -0.00980
 39 O     0.00822    0.01151    0.01435
 40 O    -0.00822    0.01151    0.01435
 41 O     0.00000    0.00089    0.03706
 42 O    -0.00000    0.02642   -0.01587
 43 Pt    0.00000   -0.00233    0.01459
 44 Pt    0.00000   -0.11996    0.00924
 45 O    -0.08344   -0.34773   -0.06075
 46 O     0.08344   -0.34773   -0.06075
 47 O     0.00000   -0.02167   -0.05356
 48 O    -0.00000    0.02208    1.17103
 49 Pt    0.00000   -0.02194   -0.37530
 50 Pt   -0.00000    0.02109   -0.43509
 51 O    -1.69060   -0.01397   -0.71836
 52 O     1.69060   -0.01397   -0.71836
 53 O     0.00000   -0.01229   -1.40370
 54 O     0.00000   -0.00195    1.77655
 55 Pt    0.00000   -0.01214    0.51704
 56 Pt   -0.00000    0.12604    0.64652
 57 O    -1.61403    0.01383    0.09257
 58 O     1.61403    0.01383    0.09257
 59 O     0.00000   -0.02124   -0.51518
 60 O     0.00000   -0.19747   -0.10499
 61 Pt   -0.00000    0.01915   -0.08710
 62 Pt   -0.00000    0.01766   -0.00703
 63 O    -0.01523   -0.00666    0.00301
 64 O     0.01523   -0.00666    0.00301
 65 O     0.00000    0.00067    0.00470
 66 O     0.00000   -0.01078   -0.00233
 67 Pt   -0.00000    0.00750    0.02337
 68 Pt   -0.00000    0.14984    0.02106
 69 O    -0.00454    0.01059   -0.03334
 70 O     0.00454    0.01059   -0.03334
 71 O    -0.00000    0.00762   -0.04717
 72 N    -0.00000    0.63564    0.70487
 73 N     0.00000   -0.62168    0.10006

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    3.467729   23.809456    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.365492   23.696246    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:54:01  -3.69   +inf  -414.065452    3      1      
iter:   2  07:56:09  -2.93  -2.60  -416.733098    3      1      
iter:   3  07:58:17  -3.31  -1.91  -414.005458    3      1      
iter:   4  08:00:24  -3.86  -2.97  -413.977380    3      1      
iter:   5  08:02:30  -4.34  -3.58  -413.977512    3      1      
iter:   6  08:04:36  -4.79  -3.70  -413.974565    3      1      
iter:   7  08:06:42  -5.03  -3.85  -413.973947    3      1      
iter:   8  08:08:48  -5.23  -3.88  -413.973382    3      1      
iter:   9  08:10:54  -5.27  -4.21  -413.973168    3      1      
iter:  10  08:13:00  -5.72  -4.13  -413.972813    2      1      
iter:  11  08:15:06  -6.35  -4.35  -413.973175    2      1      
iter:  12  08:17:12  -6.43  -4.35  -413.972754    2      1      
iter:  13  08:19:19  -6.47  -4.41  -413.972984    2      1      
iter:  14  08:21:26  -6.50  -4.56  -413.973004    2      1      
iter:  15  08:23:32  -6.75  -4.75  -413.972995    2      1      
iter:  16  08:25:39  -7.16  -4.78  -413.973041    2      1      
iter:  17  08:27:45  -7.69  -4.64  -413.972900    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961991, -32.554516, 0.059580) |e|*Ang

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

Kinetic:        +19.321989
Potential:     -137.458977
External:        +0.000000
XC:            -305.553862
Entropy (-ST):   -1.564751
Local:          +10.500325
--------------------------
Free energy:   -414.755276
Extrapolated:  -413.972900

Fermi level: -6.48402

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55813    0.15050
  0   340     -6.53888    0.14085
  0   341     -6.53749    0.14013
  0   342     -6.50631    0.12345

  1   339     -6.45952    0.19514
  1   340     -6.41070    0.14423
  1   341     -6.37881    0.11504
  1   342     -6.36240    0.10160



Forces in eV/Ang:
  0 O     0.00000   -0.01695    1.17396
  1 Pt    0.00000   -0.00195   -0.37225
  2 Pt    0.00000   -0.01893   -0.43375
  3 O    -1.68212    0.00027   -0.71826
  4 O     1.68212    0.00027   -0.71826
  5 O     0.00000   -0.01282   -1.38607
  6 O     0.00000   -0.00252    1.76908
  7 Pt   -0.00000    0.01366    0.45187
  8 Pt    0.00000   -0.03697    0.75003
  9 O    -1.58062    0.00048    0.05205
 10 O     1.58062    0.00048    0.05205
 11 O     0.00000   -0.00900   -0.56481
 12 O    -0.00000    0.01247    0.14076
 13 Pt   -0.00000    0.26269   -0.03554
 14 Pt    0.00000   -0.01825    0.00993
 15 O    -0.00186    0.00915    0.00349
 16 O     0.00186    0.00915    0.00349
 17 O    -0.00000    0.01501   -0.98390
 18 O    -0.00000    0.00482    0.02293
 19 Pt    0.00000   -0.02598    0.11397
 20 Pt    0.00000   -0.04988    0.15187
 21 O    -0.20312    0.35835    0.20290
 22 O     0.20312    0.35835    0.20290
 23 O     0.00000   -0.01745   -0.08553
 24 O     0.00000   -0.00131    1.15002
 25 Pt   -0.00000    0.01584   -0.37615
 26 Pt    0.00000   -0.00026   -0.43424
 27 O    -1.69089    0.01340   -0.71738
 28 O     1.69089    0.01340   -0.71738
 29 O    -0.00000    0.04777   -1.38480
 30 O     0.00000   -0.00471    1.83469
 31 Pt   -0.00000    0.01931    0.51083
 32 Pt    0.00000   -0.14717    0.56895
 33 O    -1.61466   -0.01910    0.07081
 34 O     1.61466   -0.01910    0.07081
 35 O     0.00000   -0.03227   -0.52367
 36 O    -0.00000    0.20555   -0.10172
 37 Pt    0.00000   -0.31086   -0.03232
 38 Pt    0.00000   -0.00583   -0.00984
 39 O     0.00806    0.01151    0.01513
 40 O    -0.00806    0.01151    0.01513
 41 O     0.00000    0.00047    0.03660
 42 O    -0.00000    0.02561   -0.01625
 43 Pt    0.00000   -0.00250    0.00952
 44 Pt    0.00000   -0.12351    0.00836
 45 O    -0.08575   -0.34752   -0.06316
 46 O     0.08575   -0.34752   -0.06316
 47 O     0.00000   -0.02032   -0.05586
 48 O    -0.00000    0.02208    1.17200
 49 Pt    0.00000   -0.02193   -0.37443
 50 Pt   -0.00000    0.02110   -0.43459
 51 O    -1.68995   -0.01399   -0.71782
 52 O     1.68995   -0.01399   -0.71782
 53 O     0.00000   -0.01230   -1.40404
 54 O     0.00000   -0.00199    1.77632
 55 Pt    0.00000   -0.01212    0.51709
 56 Pt   -0.00000    0.12604    0.64644
 57 O    -1.61377    0.01388    0.09263
 58 O     1.61377    0.01388    0.09263
 59 O     0.00000   -0.02127   -0.51568
 60 O     0.00000   -0.19746   -0.10504
 61 Pt   -0.00000    0.01880   -0.08637
 62 Pt   -0.00000    0.01781   -0.00730
 63 O    -0.01512   -0.00671    0.00329
 64 O     0.01512   -0.00671    0.00329
 65 O     0.00000    0.00084    0.00565
 66 O     0.00000   -0.01049   -0.00276
 67 Pt   -0.00000    0.00775    0.01900
 68 Pt   -0.00000    0.14958    0.01296
 69 O    -0.00561    0.01115   -0.03879
 70 O     0.00561    0.01115   -0.03879
 71 O    -0.00000    0.00756   -0.04983
 72 N     0.00000   -0.12977    0.64905
 73 N    -0.00000    0.09722    0.18730

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    3.466865   23.823435    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.366155   23.700165    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:53:46  -3.41   +inf  -413.992147    3      1      
iter:   2  08:55:51  -3.74  -3.09  -414.298368    3      1      
iter:   3  08:57:56  -3.99  -2.36  -413.981184    3      1      
iter:   4  09:00:03  -4.63  -3.70  -413.982669    3      1      
iter:   5  09:02:09  -5.05  -4.14  -413.981663    3      1      
iter:   6  09:04:15  -5.08  -4.22  -413.981639    3      1      
iter:   7  09:06:18  -5.35  -4.01  -413.981968    3      1      
iter:   8  09:08:19  -5.86  -4.64  -413.981919    2      1      
iter:   9  09:10:20  -6.35  -4.77  -413.981925    2      1      
iter:  10  09:12:20  -6.69  -4.75  -413.981884    2      1      
iter:  11  09:14:20  -7.04  -4.89  -413.981814    2      1      
iter:  12  09:16:21  -7.28  -4.72  -413.981953    2      1      
iter:  13  09:18:24  -7.72  -5.08  -413.981847    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962133, -32.554797, 0.058387) |e|*Ang

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

Kinetic:        +19.231732
Potential:     -137.386791
External:        +0.000000
XC:            -305.546138
Entropy (-ST):   -1.564853
Local:          +10.501777
--------------------------
Free energy:   -414.764273
Extrapolated:  -413.981847

Fermi level: -6.48529

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55933    0.15046
  0   340     -6.54006    0.14080
  0   341     -6.53867    0.14008
  0   342     -6.50765    0.12348

  1   339     -6.46074    0.19508
  1   340     -6.41190    0.14415
  1   341     -6.37996    0.11493
  1   342     -6.36372    0.10164



Forces in eV/Ang:
  0 O     0.00000   -0.01702    1.17288
  1 Pt    0.00000   -0.00195   -0.37339
  2 Pt    0.00000   -0.01895   -0.43484
  3 O    -1.68275    0.00026   -0.71898
  4 O     1.68275    0.00026   -0.71898
  5 O     0.00000   -0.01272   -1.38593
  6 O     0.00000   -0.00238    1.76939
  7 Pt   -0.00000    0.01370    0.45206
  8 Pt    0.00000   -0.03702    0.75027
  9 O    -1.58062    0.00054    0.05238
 10 O     1.58062    0.00054    0.05238
 11 O     0.00000   -0.00895   -0.56531
 12 O    -0.00000    0.01194    0.14020
 13 Pt   -0.00000    0.26251   -0.03726
 14 Pt    0.00000   -0.01869    0.00928
 15 O    -0.00202    0.00924    0.00311
 16 O     0.00202    0.00924    0.00311
 17 O    -0.00000    0.01433   -0.98483
 18 O    -0.00000    0.00455    0.02350
 19 Pt    0.00000   -0.02556    0.11856
 20 Pt    0.00000   -0.04949    0.15395
 21 O    -0.20176    0.35831    0.20905
 22 O     0.20176    0.35831    0.20905
 23 O     0.00000   -0.01736   -0.08340
 24 O     0.00000   -0.00127    1.14895
 25 Pt   -0.00000    0.01586   -0.37713
 26 Pt    0.00000   -0.00024   -0.43528
 27 O    -1.69148    0.01339   -0.71808
 28 O     1.69148    0.01339   -0.71808
 29 O    -0.00000    0.04772   -1.38463
 30 O     0.00000   -0.00477    1.83504
 31 Pt   -0.00000    0.01928    0.51089
 32 Pt    0.00000   -0.14713    0.56901
 33 O    -1.61472   -0.01907    0.07112
 34 O     1.61472   -0.01907    0.07112
 35 O     0.00000   -0.03227   -0.52415
 36 O    -0.00000    0.20566   -0.10233
 37 Pt    0.00000   -0.30930   -0.03393
 38 Pt    0.00000   -0.00547   -0.01050
 39 O     0.00823    0.01145    0.01467
 40 O    -0.00823    0.01145    0.01467
 41 O     0.00000    0.00001    0.03327
 42 O    -0.00000    0.02618   -0.01605
 43 Pt    0.00000   -0.00310    0.01545
 44 Pt    0.00000   -0.11888    0.01352
 45 O    -0.08760   -0.34613   -0.05184
 46 O     0.08760   -0.34613   -0.05184
 47 O     0.00000   -0.02085   -0.05346
 48 O    -0.00000    0.02211    1.17090
 49 Pt    0.00000   -0.02195   -0.37552
 50 Pt   -0.00000    0.02111   -0.43574
 51 O    -1.69057   -0.01397   -0.71853
 52 O     1.69057   -0.01397   -0.71853
 53 O     0.00000   -0.01232   -1.40401
 54 O     0.00000   -0.00208    1.77657
 55 Pt    0.00000   -0.01214    0.51723
 56 Pt   -0.00000    0.12599    0.64679
 57 O    -1.61381    0.01379    0.09295
 58 O     1.61381    0.01379    0.09295
 59 O     0.00000   -0.02132   -0.51594
 60 O     0.00000   -0.19716   -0.10575
 61 Pt   -0.00000    0.01809   -0.08735
 62 Pt   -0.00000    0.01787   -0.00786
 63 O    -0.01517   -0.00672    0.00296
 64 O     0.01517   -0.00672    0.00296
 65 O     0.00000    0.00068    0.00266
 66 O     0.00000   -0.01063   -0.00225
 67 Pt   -0.00000    0.00770    0.02345
 68 Pt   -0.00000    0.14940    0.02072
 69 O    -0.00514    0.01032   -0.03355
 70 O     0.00514    0.01032   -0.03355
 71 O    -0.00000    0.00796   -0.04722
 72 N     0.00000   -0.06814    0.51533
 73 N    -0.00000    0.04672    0.18364

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    3.465722   23.844230    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.366126   23.706084    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:32:49  -3.07   +inf  -413.998139    3      1      
iter:   2  09:34:54  -3.73  -3.25  -414.141155    2      1      
iter:   3  09:36:59  -4.11  -2.52  -413.994801    2      1      
iter:   4  09:39:02  -4.60  -3.83  -413.995514    3      1      
iter:   5  09:41:03  -4.84  -4.03  -413.993656    3      1      
iter:   6  09:43:03  -4.84  -4.02  -413.994577    2      1      
iter:   7  09:45:03  -5.08  -4.21  -413.994390    2      1      
iter:   8  09:47:04  -5.60  -4.53  -413.994436    2      1      
iter:   9  09:49:07  -6.08  -4.48  -413.994381    2      1      
iter:  10  09:51:05  -6.43  -4.63  -413.994485    2      1      
iter:  11  09:53:00  -6.66  -4.46  -413.994347    2      1      
iter:  12  09:54:56  -6.96  -4.64  -413.994496    2      1      
iter:  13  09:56:57  -7.34  -4.95  -413.994355    2      1      
iter:  14  09:58:56  -7.67  -5.07  -413.994431    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962139, -32.555897, 0.058283) |e|*Ang

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

Kinetic:        +19.098699
Potential:     -137.307826
External:        +0.000000
XC:            -305.504801
Entropy (-ST):   -1.564741
Local:          +10.501867
--------------------------
Free energy:   -414.776802
Extrapolated:  -413.994431

Fermi level: -6.48531

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55919    0.15038
  0   340     -6.54013    0.14082
  0   341     -6.53876    0.14011
  0   342     -6.50768    0.12349

  1   339     -6.46072    0.19503
  1   340     -6.41197    0.14419
  1   341     -6.37983    0.11480
  1   342     -6.36370    0.10161



Forces in eV/Ang:
  0 O     0.00000   -0.01703    1.17303
  1 Pt    0.00000   -0.00196   -0.37330
  2 Pt    0.00000   -0.01900   -0.43439
  3 O    -1.68291    0.00023   -0.71878
  4 O     1.68291    0.00023   -0.71878
  5 O     0.00000   -0.01269   -1.38599
  6 O     0.00000   -0.00246    1.76898
  7 Pt   -0.00000    0.01378    0.45191
  8 Pt    0.00000   -0.03721    0.75045
  9 O    -1.58076    0.00059    0.05231
 10 O     1.58076    0.00059    0.05231
 11 O     0.00000   -0.00893   -0.56472
 12 O    -0.00000    0.01187    0.14025
 13 Pt   -0.00000    0.26236   -0.03611
 14 Pt    0.00000   -0.01851    0.01003
 15 O    -0.00179    0.00928    0.00368
 16 O     0.00179    0.00928    0.00368
 17 O    -0.00000    0.01381   -0.98249
 18 O    -0.00000    0.00454    0.02341
 19 Pt    0.00000   -0.02573    0.11671
 20 Pt    0.00000   -0.04669    0.15010
 21 O    -0.20301    0.35914    0.20731
 22 O     0.20301    0.35914    0.20731
 23 O     0.00000   -0.01805   -0.08490
 24 O     0.00000   -0.00124    1.14910
 25 Pt   -0.00000    0.01589   -0.37705
 26 Pt    0.00000   -0.00020   -0.43485
 27 O    -1.69160    0.01340   -0.71792
 28 O     1.69160    0.01340   -0.71792
 29 O    -0.00000    0.04769   -1.38491
 30 O     0.00000   -0.00478    1.83456
 31 Pt   -0.00000    0.01926    0.51097
 32 Pt    0.00000   -0.14713    0.56926
 33 O    -1.61481   -0.01908    0.07110
 34 O     1.61481   -0.01908    0.07110
 35 O     0.00000   -0.03233   -0.52349
 36 O    -0.00000    0.20578   -0.10247
 37 Pt    0.00000   -0.30783   -0.03330
 38 Pt    0.00000   -0.00543   -0.00955
 39 O     0.00824    0.01157    0.01541
 40 O    -0.00824    0.01157    0.01541
 41 O     0.00000   -0.00087    0.03075
 42 O    -0.00000    0.02633   -0.01615
 43 Pt    0.00000   -0.00326    0.01496
 44 Pt    0.00000   -0.11429    0.00853
 45 O    -0.09284   -0.34587   -0.04361
 46 O     0.09284   -0.34587   -0.04361
 47 O     0.00000   -0.02003   -0.05514
 48 O    -0.00000    0.02209    1.17107
 49 Pt    0.00000   -0.02197   -0.37550
 50 Pt   -0.00000    0.02111   -0.43537
 51 O    -1.69073   -0.01395   -0.71836
 52 O     1.69073   -0.01395   -0.71836
 53 O     0.00000   -0.01229   -1.40414
 54 O     0.00000   -0.00199    1.77586
 55 Pt    0.00000   -0.01220    0.51719
 56 Pt   -0.00000    0.12609    0.64695
 57 O    -1.61389    0.01376    0.09290
 58 O     1.61389    0.01376    0.09290
 59 O     0.00000   -0.02127   -0.51545
 60 O     0.00000   -0.19748   -0.10587
 61 Pt   -0.00000    0.01764   -0.08633
 62 Pt   -0.00000    0.01763   -0.00684
 63 O    -0.01513   -0.00686    0.00347
 64 O     0.01513   -0.00686    0.00347
 65 O     0.00000    0.00048    0.00417
 66 O     0.00000   -0.01071   -0.00236
 67 Pt   -0.00000    0.00760    0.02212
 68 Pt   -0.00000    0.14954    0.01653
 69 O    -0.00602    0.00974   -0.03560
 70 O     0.00602    0.00974   -0.03560
 71 O    -0.00000    0.00776   -0.04858
 72 N     0.00000   -0.17022    0.42252
 73 N    -0.00000    0.15580    0.20348

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    3.463846   23.864586    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.366619   23.712248    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:11:46  -3.09   +inf  -414.008768    3      1      
iter:   2  10:13:56  -3.76  -3.26  -414.139024    3      1      
iter:   3  10:16:06  -4.13  -2.54  -414.006105    2      1      
iter:   4  10:18:17  -4.62  -3.86  -414.006533    2      1      
iter:   5  10:20:30  -4.78  -4.09  -414.004561    3      1      
iter:   6  10:22:41  -4.87  -3.88  -414.005781    3      1      
iter:   7  10:24:53  -5.32  -4.09  -414.005657    2      1      
iter:   8  10:27:04  -5.77  -4.44  -414.005751    2      1      
iter:   9  10:29:16  -6.13  -4.52  -414.005763    2      1      
iter:  10  10:31:27  -6.37  -4.74  -414.005773    2      1      
iter:  11  10:33:37  -6.77  -4.65  -414.005615    2      1      
iter:  12  10:35:48  -7.13  -4.92  -414.005766    2      1      
iter:  13  10:37:58  -7.37  -4.84  -414.005639    2      1      
iter:  14  10:40:08  -7.88  -5.15  -414.005676    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962195, -32.556941, 0.058070) |e|*Ang

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

Kinetic:        +19.077561
Potential:     -137.307496
External:        +0.000000
XC:            -305.495350
Entropy (-ST):   -1.564789
Local:          +10.502004
--------------------------
Free energy:   -414.788071
Extrapolated:  -414.005676

Fermi level: -6.48574

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55952    0.15034
  0   340     -6.54044    0.14076
  0   341     -6.53907    0.14006
  0   342     -6.50818    0.12353

  1   339     -6.46108    0.19497
  1   340     -6.41230    0.14410
  1   341     -6.38005    0.11463
  1   342     -6.36417    0.10164



Forces in eV/Ang:
  0 O     0.00000   -0.01705    1.17293
  1 Pt    0.00000   -0.00196   -0.37361
  2 Pt    0.00000   -0.01900   -0.43492
  3 O    -1.68326    0.00025   -0.71884
  4 O     1.68326    0.00025   -0.71884
  5 O     0.00000   -0.01266   -1.38594
  6 O     0.00000   -0.00257    1.76759
  7 Pt   -0.00000    0.01380    0.45137
  8 Pt    0.00000   -0.03744    0.75044
  9 O    -1.58087    0.00058    0.05225
 10 O     1.58087    0.00058    0.05225
 11 O     0.00000   -0.00896   -0.56491
 12 O    -0.00000    0.01162    0.13995
 13 Pt   -0.00000    0.26217   -0.03690
 14 Pt    0.00000   -0.01865    0.00946
 15 O    -0.00153    0.00935    0.00362
 16 O     0.00153    0.00935    0.00362
 17 O    -0.00000    0.01290   -0.98194
 18 O    -0.00000    0.00391    0.02384
 19 Pt    0.00000   -0.02548    0.11867
 20 Pt    0.00000   -0.04423    0.15523
 21 O    -0.20248    0.35960    0.20966
 22 O     0.20248    0.35960    0.20966
 23 O     0.00000   -0.01746   -0.08301
 24 O     0.00000   -0.00123    1.14899
 25 Pt   -0.00000    0.01592   -0.37735
 26 Pt    0.00000   -0.00020   -0.43537
 27 O    -1.69196    0.01341   -0.71798
 28 O     1.69196    0.01341   -0.71798
 29 O    -0.00000    0.04769   -1.38487
 30 O     0.00000   -0.00473    1.83315
 31 Pt   -0.00000    0.01928    0.51055
 32 Pt    0.00000   -0.14702    0.56921
 33 O    -1.61484   -0.01905    0.07114
 34 O     1.61484   -0.01905    0.07114
 35 O     0.00000   -0.03231   -0.52366
 36 O    -0.00000    0.20546   -0.10284
 37 Pt    0.00000   -0.30650   -0.03475
 38 Pt    0.00000   -0.00525   -0.01000
 39 O     0.00840    0.01163    0.01518
 40 O    -0.00840    0.01163    0.01518
 41 O     0.00000   -0.00148    0.02614
 42 O    -0.00000    0.02696   -0.01586
 43 Pt    0.00000   -0.00367    0.02095
 44 Pt    0.00000   -0.11033    0.01324
 45 O    -0.09881   -0.34535   -0.02846
 46 O     0.09881   -0.34535   -0.02846
 47 O     0.00000   -0.02079   -0.05320
 48 O    -0.00000    0.02210    1.17096
 49 Pt    0.00000   -0.02202   -0.37580
 50 Pt   -0.00000    0.02111   -0.43592
 51 O    -1.69108   -0.01397   -0.71841
 52 O     1.69108   -0.01397   -0.71841
 53 O     0.00000   -0.01230   -1.40396
 54 O     0.00000   -0.00194    1.77456
 55 Pt    0.00000   -0.01224    0.51671
 56 Pt   -0.00000    0.12612    0.64686
 57 O    -1.61396    0.01375    0.09288
 58 O     1.61396    0.01375    0.09288
 59 O     0.00000   -0.02127   -0.51565
 60 O     0.00000   -0.19717   -0.10576
 61 Pt   -0.00000    0.01725   -0.08697
 62 Pt   -0.00000    0.01755   -0.00693
 63 O    -0.01504   -0.00696    0.00337
 64 O     0.01504   -0.00696    0.00337
 65 O     0.00000    0.00043    0.00234
 66 O     0.00000   -0.01058   -0.00227
 67 Pt   -0.00000    0.00733    0.02421
 68 Pt   -0.00000    0.14980    0.02048
 69 O    -0.00579    0.00860   -0.03349
 70 O     0.00579    0.00860   -0.03349
 71 O    -0.00000    0.00797   -0.04710
 72 N     0.00000   -0.12805    0.53193
 73 N    -0.00000    0.09417    0.14430

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    3.462199   23.886158    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.367162   23.718317    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:51:52  -3.04   +inf  -414.017387    3      1      
iter:   2  10:54:03  -3.86  -3.74  -414.023957    2      1      
iter:   3  10:56:13  -4.30  -3.16  -414.018516    2      1      
iter:   4  10:58:23  -4.65  -3.82  -414.017190    3      1      
iter:   5  11:00:35  -4.87  -4.00  -414.018720    2      1      
iter:   6  11:02:47  -4.85  -4.03  -414.017416    3      1      
iter:   7  11:04:58  -5.28  -4.14  -414.017642    2      1      
iter:   8  11:07:09  -5.71  -4.58  -414.017652    2      1      
iter:   9  11:09:20  -6.04  -4.67  -414.017711    2      1      
iter:  10  11:11:32  -6.44  -4.60  -414.017796    2      1      
iter:  11  11:13:45  -6.78  -4.51  -414.017509    2      1      
iter:  12  11:15:56  -7.17  -4.81  -414.017695    2      1      
iter:  13  11:18:09  -7.40  -4.98  -414.017612    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962212, -32.557985, 0.057682) |e|*Ang

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

Kinetic:        +19.022438
Potential:     -137.285974
External:        +0.000000
XC:            -305.473079
Entropy (-ST):   -1.564903
Local:          +10.501454
--------------------------
Free energy:   -414.800064
Extrapolated:  -414.017612

Fermi level: -6.48587

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55954    0.15028
  0   340     -6.54056    0.14076
  0   341     -6.53921    0.14006
  0   342     -6.50840    0.12358

  1   339     -6.46126    0.19502
  1   340     -6.41239    0.14407
  1   341     -6.38005    0.11452
  1   342     -6.36434    0.10168



Forces in eV/Ang:
  0 O     0.00000   -0.01712    1.17316
  1 Pt    0.00000   -0.00196   -0.37307
  2 Pt    0.00000   -0.01908   -0.43419
  3 O    -1.68289    0.00020   -0.71886
  4 O     1.68289    0.00020   -0.71886
  5 O     0.00000   -0.01258   -1.38597
  6 O     0.00000   -0.00248    1.76857
  7 Pt   -0.00000    0.01386    0.45137
  8 Pt    0.00000   -0.03756    0.75039
  9 O    -1.58105    0.00065    0.05161
 10 O     1.58105    0.00065    0.05161
 11 O     0.00000   -0.00895   -0.56490
 12 O    -0.00000    0.01073    0.13935
 13 Pt   -0.00000    0.26218   -0.03756
 14 Pt    0.00000   -0.01905    0.00901
 15 O    -0.00199    0.00939    0.00319
 16 O     0.00199    0.00939    0.00319
 17 O    -0.00000    0.01236   -0.98105
 18 O    -0.00000    0.00389    0.02372
 19 Pt    0.00000   -0.02577    0.11701
 20 Pt    0.00000   -0.04130    0.15188
 21 O    -0.20260    0.36033    0.20941
 22 O     0.20260    0.36033    0.20941
 23 O     0.00000   -0.01816   -0.08351
 24 O     0.00000   -0.00118    1.14921
 25 Pt   -0.00000    0.01593   -0.37668
 26 Pt    0.00000   -0.00015   -0.43457
 27 O    -1.69152    0.01338   -0.71802
 28 O     1.69152    0.01338   -0.71802
 29 O    -0.00000    0.04765   -1.38497
 30 O     0.00000   -0.00477    1.83425
 31 Pt   -0.00000    0.01927    0.51048
 32 Pt    0.00000   -0.14699    0.56905
 33 O    -1.61504   -0.01904    0.07043
 34 O     1.61504   -0.01904    0.07043
 35 O     0.00000   -0.03231   -0.52374
 36 O    -0.00000    0.20590   -0.10342
 37 Pt    0.00000   -0.30486   -0.03490
 38 Pt    0.00000   -0.00498   -0.01034
 39 O     0.00818    0.01160    0.01499
 40 O    -0.00818    0.01160    0.01499
 41 O     0.00000   -0.00240    0.02337
 42 O    -0.00000    0.02709   -0.01614
 43 Pt    0.00000   -0.00415    0.02107
 44 Pt    0.00000   -0.10543    0.00686
 45 O    -0.10462   -0.34532   -0.01727
 46 O     0.10462   -0.34532   -0.01727
 47 O     0.00000   -0.02023   -0.05370
 48 O    -0.00000    0.02214    1.17119
 49 Pt    0.00000   -0.02204   -0.37524
 50 Pt   -0.00000    0.02115   -0.43529
 51 O    -1.69069   -0.01390   -0.71844
 52 O     1.69069   -0.01390   -0.71844
 53 O     0.00000   -0.01231   -1.40419
 54 O     0.00000   -0.00200    1.77530
 55 Pt    0.00000   -0.01229    0.51669
 56 Pt   -0.00000    0.12613    0.64702
 57 O    -1.61412    0.01367    0.09221
 58 O     1.61412    0.01367    0.09221
 59 O     0.00000   -0.02126   -0.51555
 60 O     0.00000   -0.19700   -0.10658
 61 Pt   -0.00000    0.01640   -0.08718
 62 Pt   -0.00000    0.01766   -0.00723
 63 O    -0.01547   -0.00695    0.00296
 64 O     0.01547   -0.00695    0.00296
 65 O     0.00000    0.00037    0.00018
 66 O     0.00000   -0.01060   -0.00229
 67 Pt   -0.00000    0.00768    0.02307
 68 Pt   -0.00000    0.14950    0.01789
 69 O    -0.00632    0.00777   -0.03439
 70 O     0.00632    0.00777   -0.03439
 71 O    -0.00000    0.00804   -0.04764
 72 N     0.00000   -0.16594    0.47160
 73 N    -0.00000    0.12091    0.14493

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    3.459862   23.907472    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.368307   23.724598    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:30:43  -3.04   +inf  -414.037465    3      1      
iter:   2  11:32:54  -3.74  -3.28  -414.110684    3      1      
iter:   3  11:35:05  -4.08  -2.62  -414.029939    3      1      
iter:   4  11:37:18  -4.54  -3.29  -414.029412    3      1      
iter:   5  11:39:29  -4.91  -4.06  -414.028213    3      1      
iter:   6  11:41:40  -4.81  -3.93  -414.027911    3      1      
iter:   7  11:43:51  -5.14  -4.27  -414.028409    2      1      
iter:   8  11:46:05  -5.52  -4.48  -414.028347    2      1      
iter:   9  11:48:17  -6.03  -4.69  -414.028586    2      1      
iter:  10  11:50:28  -6.33  -4.50  -414.028407    2      1      
iter:  11  11:52:39  -6.61  -4.14  -414.028361    2      1      
iter:  12  11:54:49  -6.68  -4.79  -414.028402    2      1      
iter:  13  11:56:59  -6.96  -4.83  -414.028238    2      1      
iter:  14  11:59:10  -7.54  -4.78  -414.028311    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962265, -32.559224, 0.057311) |e|*Ang

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

Kinetic:        +19.124698
Potential:     -137.390313
External:        +0.000000
XC:            -305.483317
Entropy (-ST):   -1.564838
Local:          +10.503040
--------------------------
Free energy:   -414.810730
Extrapolated:  -414.028311

Fermi level: -6.48652

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55995    0.15017
  0   340     -6.54112    0.14071
  0   341     -6.53976    0.14001
  0   342     -6.50906    0.12358

  1   339     -6.46185    0.19495
  1   340     -6.41299    0.14402
  1   341     -6.38041    0.11427
  1   342     -6.36503    0.10171



Forces in eV/Ang:
  0 O     0.00000   -0.01708    1.17300
  1 Pt    0.00000   -0.00198   -0.37408
  2 Pt    0.00000   -0.01902   -0.43569
  3 O    -1.68341    0.00022   -0.71898
  4 O     1.68341    0.00022   -0.71898
  5 O     0.00000   -0.01246   -1.38615
  6 O     0.00000   -0.00237    1.76653
  7 Pt   -0.00000    0.01376    0.45090
  8 Pt    0.00000   -0.03772    0.75107
  9 O    -1.58104    0.00049    0.05181
 10 O     1.58104    0.00049    0.05181
 11 O     0.00000   -0.00889   -0.56527
 12 O    -0.00000    0.01087    0.13874
 13 Pt   -0.00000    0.26175   -0.03879
 14 Pt    0.00000   -0.01901    0.00826
 15 O    -0.00153    0.00938    0.00277
 16 O     0.00153    0.00938    0.00277
 17 O    -0.00000    0.01152   -0.97961
 18 O    -0.00000    0.00375    0.02407
 19 Pt    0.00000   -0.02542    0.11946
 20 Pt    0.00000   -0.03765    0.15955
 21 O    -0.20250    0.36055    0.21175
 22 O     0.20250    0.36055    0.21175
 23 O     0.00000   -0.01706   -0.08182
 24 O     0.00000   -0.00122    1.14905
 25 Pt   -0.00000    0.01597   -0.37773
 26 Pt    0.00000   -0.00020   -0.43607
 27 O    -1.69205    0.01340   -0.71813
 28 O     1.69205    0.01340   -0.71813
 29 O    -0.00000    0.04760   -1.38519
 30 O     0.00000   -0.00483    1.83210
 31 Pt   -0.00000    0.01921    0.50998
 32 Pt    0.00000   -0.14689    0.56968
 33 O    -1.61492   -0.01904    0.07072
 34 O     1.61492   -0.01904    0.07072
 35 O     0.00000   -0.03236   -0.52417
 36 O    -0.00000    0.20508   -0.10380
 37 Pt    0.00000   -0.30333   -0.03704
 38 Pt    0.00000   -0.00499   -0.01082
 39 O     0.00886    0.01154    0.01439
 40 O    -0.00886    0.01154    0.01439
 41 O     0.00000   -0.00304    0.01932
 42 O    -0.00000    0.02752   -0.01599
 43 Pt    0.00000   -0.00472    0.02790
 44 Pt    0.00000   -0.10242    0.01437
 45 O    -0.11059   -0.34498   -0.00266
 46 O     0.11059   -0.34498   -0.00266
 47 O     0.00000   -0.02132   -0.05178
 48 O    -0.00000    0.02214    1.17102
 49 Pt    0.00000   -0.02206   -0.37625
 50 Pt   -0.00000    0.02114   -0.43675
 51 O    -1.69121   -0.01394   -0.71855
 52 O     1.69121   -0.01394   -0.71855
 53 O     0.00000   -0.01235   -1.40406
 54 O     0.00000   -0.00205    1.77352
 55 Pt    0.00000   -0.01213    0.51614
 56 Pt   -0.00000    0.12613    0.64736
 57 O    -1.61411    0.01384    0.09243
 58 O     1.61411    0.01384    0.09243
 59 O     0.00000   -0.02128   -0.51591
 60 O     0.00000   -0.19657   -0.10662
 61 Pt   -0.00000    0.01603   -0.08813
 62 Pt   -0.00000    0.01760   -0.00780
 63 O    -0.01494   -0.00685    0.00254
 64 O     0.01494   -0.00685    0.00254
 65 O     0.00000    0.00023    0.00089
 66 O     0.00000   -0.01074   -0.00225
 67 Pt   -0.00000    0.00748    0.02563
 68 Pt   -0.00000    0.14953    0.02312
 69 O    -0.00649    0.00703   -0.03233
 70 O     0.00649    0.00703   -0.03233
 71 O    -0.00000    0.00809   -0.04617
 72 N     0.00000   -0.00507    0.40245
 73 N    -0.00000    0.00228    0.18247

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.458245   23.928614    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.367458   23.731110    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:08:39  -3.03   +inf  -414.036366    3      1      
iter:   2  12:10:48  -3.85  -3.63  -414.042951    3      1      
iter:   3  12:13:00  -4.31  -3.48  -414.041249    3      1      
iter:   4  12:15:13  -4.70  -3.44  -414.038431    2      1      
iter:   5  12:17:25  -4.95  -4.07  -414.039252    3      1      
iter:   6  12:19:35  -4.73  -3.89  -414.038083    3      1      
iter:   7  12:21:46  -5.00  -4.12  -414.038194    2      1      
iter:   8  12:23:57  -5.48  -4.41  -414.038042    2      1      
iter:   9  12:26:10  -5.93  -4.41  -414.038180    2      1      
iter:  10  12:28:21  -6.32  -4.27  -414.037958    2      1      
iter:  11  12:30:31  -6.56  -4.49  -414.038310    2      1      
iter:  12  12:32:42  -6.87  -4.66  -414.038037    2      1      
iter:  13  12:34:54  -7.12  -4.69  -414.038226    2      1      
iter:  14  12:37:04  -7.36  -4.93  -414.038195    2      1      
iter:  15  12:39:14  -7.55  -5.04  -414.038171    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962240, -32.560421, 0.057649) |e|*Ang

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

Kinetic:        +18.860297
Potential:     -137.209537
External:        +0.000000
XC:            -305.411145
Entropy (-ST):   -1.564761
Local:          +10.504594
--------------------------
Free energy:   -414.820552
Extrapolated:  -414.038171

Fermi level: -6.48577

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55889    0.15002
  0   340     -6.54055    0.14080
  0   341     -6.53923    0.14012
  0   342     -6.50826    0.12355

  1   339     -6.46110    0.19495
  1   340     -6.41237    0.14414
  1   341     -6.37955    0.11417
  1   342     -6.36420    0.10164



Forces in eV/Ang:
  0 O     0.00000   -0.01705    1.17351
  1 Pt    0.00000   -0.00202   -0.37332
  2 Pt    0.00000   -0.01894   -0.43408
  3 O    -1.68285    0.00026   -0.71864
  4 O     1.68285    0.00026   -0.71864
  5 O     0.00000   -0.01244   -1.38637
  6 O     0.00000   -0.00266    1.76921
  7 Pt   -0.00000    0.01381    0.45176
  8 Pt    0.00000   -0.03816    0.75203
  9 O    -1.58092    0.00046    0.05188
 10 O     1.58092    0.00046    0.05188
 11 O     0.00000   -0.00900   -0.56488
 12 O    -0.00000    0.01084    0.13892
 13 Pt   -0.00000    0.26168   -0.03730
 14 Pt    0.00000   -0.01858    0.00945
 15 O    -0.00139    0.00959    0.00339
 16 O     0.00139    0.00959    0.00339
 17 O    -0.00000    0.01096   -0.97886
 18 O    -0.00000    0.00377    0.02374
 19 Pt    0.00000   -0.02529    0.11552
 20 Pt    0.00000   -0.03381    0.15570
 21 O    -0.20360    0.36127    0.20928
 22 O     0.20360    0.36127    0.20928
 23 O     0.00000   -0.01784   -0.08552
 24 O     0.00000   -0.00122    1.14958
 25 Pt   -0.00000    0.01598   -0.37708
 26 Pt    0.00000   -0.00025   -0.43449
 27 O    -1.69159    0.01342   -0.71783
 28 O     1.69159    0.01342   -0.71783
 29 O    -0.00000    0.04759   -1.38558
 30 O     0.00000   -0.00460    1.83454
 31 Pt   -0.00000    0.01917    0.51103
 32 Pt    0.00000   -0.14661    0.57071
 33 O    -1.61466   -0.01905    0.07083
 34 O     1.61466   -0.01905    0.07083
 35 O     0.00000   -0.03231   -0.52372
 36 O    -0.00000    0.20535   -0.10394
 37 Pt    0.00000   -0.30227   -0.03608
 38 Pt    0.00000   -0.00538   -0.00952
 39 O     0.00857    0.01159    0.01521
 40 O    -0.00857    0.01159    0.01521
 41 O     0.00000   -0.00347    0.01864
 42 O    -0.00000    0.02758   -0.01631
 43 Pt    0.00000   -0.00494    0.02555
 44 Pt    0.00000   -0.10042    0.00943
 45 O    -0.11580   -0.34525    0.00361
 46 O     0.11580   -0.34525    0.00361
 47 O     0.00000   -0.02022   -0.05537
 48 O    -0.00000    0.02212    1.17155
 49 Pt    0.00000   -0.02205   -0.37550
 50 Pt   -0.00000    0.02110   -0.43501
 51 O    -1.69068   -0.01400   -0.71822
 52 O     1.69068   -0.01400   -0.71822
 53 O     0.00000   -0.01235   -1.40425
 54 O     0.00000   -0.00198    1.77658
 55 Pt    0.00000   -0.01213    0.51701
 56 Pt   -0.00000    0.12622    0.64813
 57 O    -1.61394    0.01390    0.09247
 58 O     1.61394    0.01390    0.09247
 59 O     0.00000   -0.02122   -0.51578
 60 O     0.00000   -0.19701   -0.10678
 61 Pt   -0.00000    0.01575   -0.08677
 62 Pt   -0.00000    0.01753   -0.00662
 63 O    -0.01493   -0.00709    0.00299
 64 O     0.01493   -0.00709    0.00299
 65 O     0.00000    0.00013    0.00511
 66 O     0.00000   -0.01075   -0.00262
 67 Pt   -0.00000    0.00720    0.02268
 68 Pt   -0.00000    0.14937    0.01587
 69 O    -0.00760    0.00683   -0.03496
 70 O     0.00760    0.00683   -0.03496
 71 O    -0.00000    0.00771   -0.04925
 72 N     0.00000   -0.25741    0.37767
 73 N    -0.00000    0.24942    0.24790

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.454992   23.950072    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.368657   23.738621    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:48:51  -3.01   +inf  -414.052858    3      1      
iter:   2  12:51:02  -3.81  -3.44  -414.079260    3      1      
iter:   3  12:53:12  -4.24  -2.84  -414.047119    3      1      
iter:   4  12:55:22  -4.66  -3.58  -414.049547    3      1      
iter:   5  12:57:34  -4.87  -4.04  -414.048314    3      1      
iter:   6  12:59:47  -4.73  -3.84  -414.048457    3      1      
iter:   7  13:01:57  -5.20  -4.05  -414.048489    2      1      
iter:   8  13:04:07  -5.61  -4.49  -414.048530    2      1      
iter:   9  13:06:17  -6.06  -4.47  -414.048534    2      1      
iter:  10  13:08:26  -6.36  -4.39  -414.048496    2      1      
iter:  11  13:10:35  -6.41  -4.73  -414.048351    2      1      
iter:  12  13:12:45  -6.80  -4.84  -414.048605    2      1      
iter:  13  13:14:57  -7.16  -4.66  -414.048436    2      1      
iter:  14  13:17:10  -7.48  -4.76  -414.048466    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962372, -32.561607, 0.058310) |e|*Ang

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

Kinetic:        +18.932727
Potential:     -137.266349
External:        +0.000000
XC:            -305.438386
Entropy (-ST):   -1.564809
Local:          +10.505946
--------------------------
Free energy:   -414.830870
Extrapolated:  -414.048466

Fermi level: -6.48659

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55999    0.15015
  0   340     -6.54089    0.14056
  0   341     -6.53954    0.13986
  0   342     -6.50936    0.12371

  1   339     -6.46163    0.19463
  1   340     -6.41286    0.14382
  1   341     -6.38008    0.11392
  1   342     -6.36515    0.10174



Forces in eV/Ang:
  0 O     0.00000   -0.01714    1.17276
  1 Pt    0.00000   -0.00199   -0.37612
  2 Pt    0.00000   -0.01898   -0.43848
  3 O    -1.68513    0.00024   -0.71962
  4 O     1.68513    0.00024   -0.71962
  5 O     0.00000   -0.01229   -1.38576
  6 O     0.00000   -0.00251    1.76020
  7 Pt   -0.00000    0.01385    0.44926
  8 Pt    0.00000   -0.03825    0.74998
  9 O    -1.58118    0.00052    0.05156
 10 O     1.58118    0.00052    0.05156
 11 O     0.00000   -0.00900   -0.56540
 12 O    -0.00000    0.00965    0.13790
 13 Pt   -0.00000    0.26225   -0.04072
 14 Pt    0.00000   -0.01922    0.00663
 15 O    -0.00131    0.00953    0.00242
 16 O     0.00131    0.00953    0.00242
 17 O    -0.00000    0.01027   -0.98234
 18 O    -0.00000    0.00356    0.02432
 19 Pt    0.00000   -0.02538    0.12292
 20 Pt    0.00000   -0.03326    0.16381
 21 O    -0.20190    0.36096    0.21633
 22 O     0.20190    0.36096    0.21633
 23 O     0.00000   -0.01673   -0.07953
 24 O     0.00000   -0.00116    1.14881
 25 Pt   -0.00000    0.01603   -0.37965
 26 Pt    0.00000   -0.00023   -0.43886
 27 O    -1.69379    0.01341   -0.71877
 28 O     1.69379    0.01341   -0.71877
 29 O    -0.00000    0.04750   -1.38495
 30 O     0.00000   -0.00472    1.82555
 31 Pt   -0.00000    0.01913    0.50825
 32 Pt    0.00000   -0.14650    0.56858
 33 O    -1.61499   -0.01904    0.07042
 34 O     1.61499   -0.01904    0.07042
 35 O     0.00000   -0.03228   -0.52437
 36 O    -0.00000    0.20594   -0.10486
 37 Pt    0.00000   -0.30105   -0.03874
 38 Pt    0.00000   -0.00476   -0.01197
 39 O     0.00931    0.01157    0.01422
 40 O    -0.00931    0.01157    0.01422
 41 O     0.00000   -0.00393    0.00949
 42 O    -0.00000    0.02817   -0.01596
 43 Pt    0.00000   -0.00533    0.03650
 44 Pt    0.00000   -0.09635    0.01862
 45 O    -0.11916   -0.34453    0.02042
 46 O     0.11916   -0.34453    0.02042
 47 O     0.00000   -0.02184   -0.04956
 48 O    -0.00000    0.02215    1.17075
 49 Pt    0.00000   -0.02213   -0.37824
 50 Pt   -0.00000    0.02112   -0.43960
 51 O    -1.69295   -0.01397   -0.71917
 52 O     1.69295   -0.01397   -0.71917
 53 O     0.00000   -0.01239   -1.40376
 54 O     0.00000   -0.00202    1.76738
 55 Pt    0.00000   -0.01214    0.51444
 56 Pt   -0.00000    0.12615    0.64645
 57 O    -1.61425    0.01381    0.09213
 58 O     1.61425    0.01381    0.09213
 59 O     0.00000   -0.02124   -0.51597
 60 O     0.00000   -0.19652   -0.10822
 61 Pt   -0.00000    0.01455   -0.08976
 62 Pt   -0.00000    0.01752   -0.00915
 63 O    -0.01478   -0.00698    0.00220
 64 O     0.01478   -0.00698    0.00220
 65 O     0.00000    0.00005   -0.00312
 66 O     0.00000   -0.01098   -0.00222
 67 Pt   -0.00000    0.00743    0.02932
 68 Pt   -0.00000    0.14957    0.02824
 69 O    -0.00601    0.00604   -0.02872
 70 O     0.00601    0.00604   -0.02872
 71 O    -0.00000    0.00823   -0.04417
 72 N     0.00000   -0.03739    0.38030
 73 N     0.00000   -0.00358    0.14442

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.452223   23.972077    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.368957   23.745672    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:28:49  -2.98   +inf  -414.201478    3      1      
iter:   2  13:30:56  -2.74  -2.52  -417.949710    3      1      
iter:   3  13:33:05  -3.12  -1.84  -414.081433    3      1      
iter:   4  13:35:13  -3.70  -2.97  -414.063472    3      1      
iter:   5  13:37:22  -4.21  -3.59  -414.059373    3      1      
iter:   6  13:39:30  -4.59  -3.69  -414.058572    3      1      
iter:   7  13:41:41  -4.86  -3.99  -414.058028    2      1      
iter:   8  13:43:54  -5.04  -4.01  -414.058545    3      1      
iter:   9  13:46:05  -5.53  -4.12  -414.058285    2      1      
iter:  10  13:48:15  -5.89  -4.47  -414.058462    2      1      
iter:  11  13:50:24  -6.32  -4.27  -414.057995    2      1      
iter:  12  13:52:34  -6.78  -4.47  -414.058429    2      1      
iter:  13  13:54:45  -7.00  -4.62  -414.058218    2      1      
iter:  14  13:56:54  -6.92  -4.75  -414.058225    2      1      
iter:  15  13:59:05  -7.09  -4.63  -414.058317    2      1      
iter:  16  14:01:14  -7.57  -4.69  -414.058252    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962188, -32.562590, 0.057485) |e|*Ang

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

Kinetic:        +19.063417
Potential:     -137.412891
External:        +0.000000
XC:            -305.432780
Entropy (-ST):   -1.564780
Local:          +10.506392
--------------------------
Free energy:   -414.840642
Extrapolated:  -414.058252

Fermi level: -6.48616

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55901    0.14988
  0   340     -6.54075    0.14071
  0   341     -6.53944    0.14003
  0   342     -6.50882    0.12364

  1   339     -6.46134    0.19478
  1   340     -6.41263    0.14401
  1   341     -6.37949    0.11379
  1   342     -6.36470    0.10172



Forces in eV/Ang:
  0 O     0.00000   -0.01712    1.17372
  1 Pt    0.00000   -0.00201   -0.37393
  2 Pt    0.00000   -0.01898   -0.43340
  3 O    -1.68389    0.00024   -0.71818
  4 O     1.68389    0.00024   -0.71818
  5 O     0.00000   -0.01227   -1.38595
  6 O     0.00000   -0.00250    1.76576
  7 Pt   -0.00000    0.01380    0.45008
  8 Pt    0.00000   -0.03841    0.75163
  9 O    -1.58088    0.00049    0.05086
 10 O     1.58088    0.00049    0.05086
 11 O     0.00000   -0.00895   -0.56521
 12 O    -0.00000    0.01007    0.13776
 13 Pt   -0.00000    0.26170   -0.03805
 14 Pt    0.00000   -0.01910    0.00847
 15 O    -0.00102    0.00951    0.00285
 16 O     0.00102    0.00951    0.00285
 17 O    -0.00000    0.00964   -0.97715
 18 O    -0.00000    0.00348    0.02420
 19 Pt    0.00000   -0.02532    0.11621
 20 Pt    0.00000   -0.03118    0.15350
 21 O    -0.20360    0.36274    0.21020
 22 O     0.20360    0.36274    0.21020
 23 O     0.00000   -0.01719   -0.08449
 24 O     0.00000   -0.00116    1.14978
 25 Pt   -0.00000    0.01605   -0.37749
 26 Pt    0.00000   -0.00023   -0.43374
 27 O    -1.69256    0.01341   -0.71737
 28 O     1.69256    0.01341   -0.71737
 29 O    -0.00000    0.04747   -1.38530
 30 O     0.00000   -0.00475    1.83118
 31 Pt   -0.00000    0.01918    0.50923
 32 Pt    0.00000   -0.14645    0.57032
 33 O    -1.61458   -0.01902    0.06981
 34 O     1.61458   -0.01902    0.06981
 35 O     0.00000   -0.03235   -0.52402
 36 O    -0.00000    0.20560   -0.10543
 37 Pt    0.00000   -0.30016   -0.03724
 38 Pt    0.00000   -0.00489   -0.01044
 39 O     0.00934    0.01161    0.01463
 40 O    -0.00934    0.01161    0.01463
 41 O     0.00000   -0.00447    0.01399
 42 O    -0.00000    0.02785   -0.01614
 43 Pt    0.00000   -0.00567    0.03234
 44 Pt    0.00000   -0.09292    0.00738
 45 O    -0.12596   -0.34575    0.02729
 46 O     0.12596   -0.34575    0.02729
 47 O     0.00000   -0.02125   -0.05394
 48 O    -0.00000    0.02213    1.17174
 49 Pt    0.00000   -0.02213   -0.37610
 50 Pt   -0.00000    0.02112   -0.43450
 51 O    -1.69171   -0.01397   -0.71777
 52 O     1.69171   -0.01397   -0.71777
 53 O     0.00000   -0.01236   -1.40385
 54 O     0.00000   -0.00200    1.77307
 55 Pt    0.00000   -0.01214    0.51537
 56 Pt   -0.00000    0.12620    0.64782
 57 O    -1.61387    0.01384    0.09144
 58 O     1.61387    0.01384    0.09144
 59 O     0.00000   -0.02123   -0.51568
 60 O     0.00000   -0.19687   -0.10782
 61 Pt   -0.00000    0.01482   -0.08731
 62 Pt   -0.00000    0.01752   -0.00744
 63 O    -0.01469   -0.00698    0.00242
 64 O     0.01469   -0.00698    0.00242
 65 O     0.00000    0.00013    0.00311
 66 O     0.00000   -0.01049   -0.00257
 67 Pt   -0.00000    0.00736    0.02392
 68 Pt   -0.00000    0.14982    0.01727
 69 O    -0.00781    0.00494   -0.03440
 70 O     0.00781    0.00494   -0.03440
 71 O    -0.00000    0.00809   -0.04851
 72 N     0.00000   -0.04482    0.39990
 73 N     0.00000   -0.00712    0.17762

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.449843   23.994262    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.368253   23.752943    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:07:56  -2.98   +inf  -414.065484    3      1      
iter:   2  14:10:05  -3.78  -3.51  -414.076686    3      1      
iter:   3  14:12:11  -4.24  -3.38  -414.069867    3      1      
iter:   4  14:14:21  -4.63  -3.53  -414.069589    2      1      
iter:   5  14:16:30  -4.90  -3.61  -414.069004    2      1      
iter:   6  14:18:41  -4.69  -4.01  -414.068228    2      1      
iter:   7  14:20:54  -5.05  -4.11  -414.068303    2      1      
iter:   8  14:23:07  -5.47  -4.43  -414.067971    2      1      
iter:   9  14:25:18  -5.98  -4.45  -414.068242    2      1      
iter:  10  14:27:28  -6.31  -4.65  -414.068103    2      1      
iter:  11  14:29:40  -6.53  -4.55  -414.068277    2      1      
iter:  12  14:31:50  -6.71  -4.27  -414.068331    2      1      
iter:  13  14:34:00  -7.15  -4.73  -414.068298    2      1      
iter:  14  14:36:11  -7.37  -4.87  -414.068364    2      1      
iter:  15  14:38:25  -7.40  -4.84  -414.068225    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962336, -32.563754, 0.057490) |e|*Ang

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

Kinetic:        +18.753031
Potential:     -137.180424
External:        +0.000000
XC:            -305.363180
Entropy (-ST):   -1.564869
Local:          +10.504783
--------------------------
Free energy:   -414.850660
Extrapolated:  -414.068225

Fermi level: -6.48595

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55852    0.14975
  0   340     -6.54064    0.14076
  0   341     -6.53937    0.14010
  0   342     -6.50864    0.12366

  1   339     -6.46125    0.19491
  1   340     -6.41246    0.14405
  1   341     -6.37916    0.11369
  1   342     -6.36448    0.10172



Forces in eV/Ang:
  0 O     0.00000   -0.01715    1.17354
  1 Pt    0.00000   -0.00204   -0.37361
  2 Pt    0.00000   -0.01901   -0.43414
  3 O    -1.68284    0.00022   -0.71873
  4 O     1.68284    0.00022   -0.71873
  5 O     0.00000   -0.01227   -1.38662
  6 O     0.00000   -0.00271    1.76914
  7 Pt   -0.00000    0.01394    0.45178
  8 Pt    0.00000   -0.03867    0.75306
  9 O    -1.58122    0.00054    0.05174
 10 O     1.58122    0.00054    0.05174
 11 O     0.00000   -0.00896   -0.56491
 12 O    -0.00000    0.01021    0.13729
 13 Pt   -0.00000    0.26149   -0.03833
 14 Pt    0.00000   -0.01872    0.00797
 15 O    -0.00157    0.00969    0.00324
 16 O     0.00157    0.00969    0.00324
 17 O    -0.00000    0.00884   -0.97716
 18 O    -0.00000    0.00333    0.02375
 19 Pt    0.00000   -0.02545    0.11600
 20 Pt    0.00000   -0.02790    0.15661
 21 O    -0.20412    0.36316    0.21207
 22 O     0.20412    0.36316    0.21207
 23 O     0.00000   -0.01746   -0.08465
 24 O     0.00000   -0.00113    1.14959
 25 Pt   -0.00000    0.01608   -0.37722
 26 Pt    0.00000   -0.00019   -0.43452
 27 O    -1.69151    0.01342   -0.71794
 28 O     1.69151    0.01342   -0.71794
 29 O    -0.00000    0.04748   -1.38611
 30 O     0.00000   -0.00462    1.83444
 31 Pt   -0.00000    0.01914    0.51129
 32 Pt    0.00000   -0.14630    0.57185
 33 O    -1.61482   -0.01903    0.07081
 34 O     1.61482   -0.01903    0.07081
 35 O     0.00000   -0.03236   -0.52364
 36 O    -0.00000    0.20547   -0.10601
 37 Pt    0.00000   -0.29926   -0.03832
 38 Pt    0.00000   -0.00514   -0.01082
 39 O     0.00836    0.01165    0.01507
 40 O    -0.00836    0.01165    0.01507
 41 O     0.00000   -0.00440    0.01154
 42 O    -0.00000    0.02823   -0.01670
 43 Pt    0.00000   -0.00599    0.03463
 44 Pt    0.00000   -0.09130    0.00906
 45 O    -0.13097   -0.34603    0.03794
 46 O     0.13097   -0.34603    0.03794
 47 O     0.00000   -0.02084   -0.05397
 48 O    -0.00000    0.02215    1.17159
 49 Pt    0.00000   -0.02214   -0.37580
 50 Pt   -0.00000    0.02111   -0.43524
 51 O    -1.69066   -0.01397   -0.71832
 52 O     1.69066   -0.01397   -0.71832
 53 O     0.00000   -0.01235   -1.40442
 54 O     0.00000   -0.00192    1.77623
 55 Pt    0.00000   -0.01224    0.51713
 56 Pt   -0.00000    0.12626    0.64897
 57 O    -1.61416    0.01381    0.09232
 58 O     1.61416    0.01381    0.09232
 59 O     0.00000   -0.02119   -0.51568
 60 O     0.00000   -0.19702   -0.10793
 61 Pt   -0.00000    0.01469   -0.08757
 62 Pt   -0.00000    0.01737   -0.00730
 63 O    -0.01531   -0.00720    0.00276
 64 O     0.01531   -0.00720    0.00276
 65 O     0.00000   -0.00012    0.00387
 66 O     0.00000   -0.01066   -0.00298
 67 Pt   -0.00000    0.00751    0.02400
 68 Pt   -0.00000    0.14964    0.01630
 69 O    -0.00842    0.00459   -0.03328
 70 O     0.00842    0.00459   -0.03328
 71 O    -0.00000    0.00789   -0.04889
 72 N     0.00000   -0.26471    0.36270
 73 N    -0.00000    0.20906    0.24638

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.444581   24.016866    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.371391   23.761813    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:47:03  -2.91   +inf  -414.124164    4      1      
iter:   2  14:49:12  -3.31  -2.87  -414.682409    4      1      
iter:   3  14:51:23  -3.61  -2.21  -414.099623    3      1      
iter:   4  14:53:33  -4.11  -2.91  -414.082933    3      1      
iter:   5  14:55:43  -4.74  -3.71  -414.080168    3      1      
iter:   6  14:57:54  -4.66  -3.71  -414.077376    3      1      
iter:   7  15:00:07  -5.08  -3.88  -414.078152    3      1      
iter:   8  15:02:17  -4.84  -4.07  -414.078240    3      1      
iter:   9  15:04:28  -5.34  -4.27  -414.078339    2      1      
iter:  10  15:06:38  -5.71  -4.15  -414.078601    2      1      
iter:  11  15:08:47  -6.14  -3.85  -414.077697    2      1      
iter:  12  15:10:59  -6.16  -4.22  -414.078579    2      1      
iter:  13  15:13:09  -6.24  -4.36  -414.078200    2      1      
iter:  14  15:14:59  -6.51  -4.66  -414.078119    2      1      
iter:  15  15:16:46  -6.70  -4.63  -414.078060    2      1      
iter:  16  15:18:35  -7.04  -4.81  -414.078085    2      1      
iter:  17  15:20:24  -7.05  -4.56  -414.078263    2      1      
iter:  18  15:22:09  -7.27  -4.92  -414.078052    2      1      
iter:  19  15:23:57  -7.51  -4.98  -414.078212    2      1      

Converged after 19 iterations.

Dipole moment: (-55.962404, -32.565249, 0.058413) |e|*Ang

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

Kinetic:        +19.490028
Potential:     -137.777085
External:        +0.000000
XC:            -305.513637
Entropy (-ST):   -1.564680
Local:          +10.504822
--------------------------
Free energy:   -414.860552
Extrapolated:  -414.078212

Fermi level: -6.48525

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55742    0.14955
  0   340     -6.53994    0.14076
  0   341     -6.53868    0.14011
  0   342     -6.50799    0.12369

  1   339     -6.46044    0.19479
  1   340     -6.41177    0.14406
  1   341     -6.37813    0.11341
  1   342     -6.36377    0.10171



Forces in eV/Ang:
  0 O     0.00000   -0.01719    1.17345
  1 Pt    0.00000   -0.00204   -0.37419
  2 Pt    0.00000   -0.01900   -0.43405
  3 O    -1.68314    0.00022   -0.71862
  4 O     1.68314    0.00022   -0.71862
  5 O     0.00000   -0.01210   -1.38661
  6 O     0.00000   -0.00254    1.76808
  7 Pt   -0.00000    0.01392    0.45116
  8 Pt    0.00000   -0.03880    0.75246
  9 O    -1.58085    0.00049    0.05150
 10 O     1.58085    0.00049    0.05150
 11 O     0.00000   -0.00894   -0.56509
 12 O    -0.00000    0.00966    0.13695
 13 Pt   -0.00000    0.26181   -0.03732
 14 Pt    0.00000   -0.01927    0.00851
 15 O    -0.00125    0.00970    0.00355
 16 O     0.00125    0.00970    0.00355
 17 O    -0.00000    0.00806   -0.97464
 18 O    -0.00000    0.00299    0.02407
 19 Pt    0.00000   -0.02512    0.11808
 20 Pt    0.00000   -0.02939    0.15015
 21 O    -0.20439    0.36461    0.21412
 22 O     0.20439    0.36461    0.21412
 23 O     0.00000   -0.01593   -0.08284
 24 O     0.00000   -0.00111    1.14950
 25 Pt   -0.00000    0.01612   -0.37764
 26 Pt    0.00000   -0.00021   -0.43440
 27 O    -1.69179    0.01343   -0.71782
 28 O     1.69179    0.01343   -0.71782
 29 O    -0.00000    0.04733   -1.38618
 30 O     0.00000   -0.00473    1.83328
 31 Pt   -0.00000    0.01907    0.51041
 32 Pt    0.00000   -0.14613    0.57139
 33 O    -1.61446   -0.01899    0.07048
 34 O     1.61446   -0.01899    0.07048
 35 O     0.00000   -0.03238   -0.52399
 36 O    -0.00000    0.20610   -0.10687
 37 Pt    0.00000   -0.29844   -0.03724
 38 Pt    0.00000   -0.00461   -0.00989
 39 O     0.00921    0.01154    0.01526
 40 O    -0.00921    0.01154    0.01526
 41 O     0.00000   -0.00441    0.01118
 42 O    -0.00000    0.02901   -0.01649
 43 Pt    0.00000   -0.00625    0.04148
 44 Pt    0.00000   -0.08668    0.01015
 45 O    -0.13654   -0.34694    0.05136
 46 O     0.13654   -0.34694    0.05136
 47 O     0.00000   -0.02230   -0.05232
 48 O    -0.00000    0.02216    1.17146
 49 Pt    0.00000   -0.02219   -0.37635
 50 Pt   -0.00000    0.02112   -0.43528
 51 O    -1.69097   -0.01396   -0.71820
 52 O     1.69097   -0.01396   -0.71820
 53 O     0.00000   -0.01236   -1.40447
 54 O     0.00000   -0.00198    1.77526
 55 Pt    0.00000   -0.01215    0.51644
 56 Pt   -0.00000    0.12618    0.64863
 57 O    -1.61383    0.01382    0.09208
 58 O     1.61383    0.01382    0.09208
 59 O     0.00000   -0.02120   -0.51558
 60 O     0.00000   -0.19716   -0.10855
 61 Pt   -0.00000    0.01409   -0.08675
 62 Pt   -0.00000    0.01739   -0.00654
 63 O    -0.01486   -0.00708    0.00305
 64 O     0.01486   -0.00708    0.00305
 65 O     0.00000   -0.00022    0.00422
 66 O     0.00000   -0.01092   -0.00294
 67 Pt   -0.00000    0.00727    0.02604
 68 Pt   -0.00000    0.14991    0.01842
 69 O    -0.00829    0.00330   -0.03140
 70 O     0.00829    0.00330   -0.03140
 71 O    -0.00000    0.00777   -0.04773
 72 N    -0.00000    0.42765    0.43953
 73 N     0.00000   -0.45906    0.07873

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.440822   24.040279    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.371994   23.770065    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:29:20  -2.93   +inf  -414.087941    3      1      
iter:   2  15:31:30  -3.70  -3.40  -414.153516    2      1      
iter:   3  15:33:39  -4.10  -2.70  -414.088687    2      1      
iter:   4  15:35:49  -4.51  -3.90  -414.086836    3      1      
iter:   5  15:38:00  -4.74  -3.90  -414.088407    2      1      
iter:   6  15:40:11  -4.71  -3.81  -414.087554    3      1      
iter:   7  15:42:21  -5.25  -4.16  -414.087420    2      1      
iter:   8  15:44:32  -5.67  -4.34  -414.087613    2      1      
iter:   9  15:46:42  -6.09  -4.49  -414.087366    2      1      
iter:  10  15:48:52  -6.20  -4.38  -414.087412    2      1      
iter:  11  15:51:02  -6.51  -4.28  -414.087722    2      1      
iter:  12  15:53:11  -6.99  -4.64  -414.087503    2      1      
iter:  13  15:55:16  -7.14  -4.92  -414.087506    2      1      
iter:  14  15:57:21  -7.38  -5.17  -414.087478    2      1      
iter:  15  15:59:22  -7.92  -5.19  -414.087506    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962436, -32.566290, 0.058062) |e|*Ang

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

Kinetic:        +19.571525
Potential:     -137.866287
External:        +0.000000
XC:            -305.514677
Entropy (-ST):   -1.564737
Local:          +10.504301
--------------------------
Free energy:   -414.869875
Extrapolated:  -414.087506

Fermi level: -6.48570

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55771    0.14947
  0   340     -6.54035    0.14074
  0   341     -6.53911    0.14010
  0   342     -6.50854    0.12375

  1   339     -6.46089    0.19480
  1   340     -6.41217    0.14401
  1   341     -6.37838    0.11324
  1   342     -6.36426    0.10174



Forces in eV/Ang:
  0 O     0.00000   -0.01721    1.17318
  1 Pt    0.00000   -0.00204   -0.37425
  2 Pt    0.00000   -0.01901   -0.43475
  3 O    -1.68282    0.00022   -0.71879
  4 O     1.68282    0.00022   -0.71879
  5 O     0.00000   -0.01207   -1.38672
  6 O     0.00000   -0.00264    1.76867
  7 Pt   -0.00000    0.01398    0.45149
  8 Pt    0.00000   -0.03902    0.75321
  9 O    -1.58095    0.00051    0.05189
 10 O     1.58095    0.00051    0.05189
 11 O     0.00000   -0.00893   -0.56515
 12 O    -0.00000    0.00956    0.13664
 13 Pt   -0.00000    0.26168   -0.03722
 14 Pt    0.00000   -0.01916    0.00875
 15 O    -0.00101    0.00983    0.00395
 16 O     0.00101    0.00983    0.00395
 17 O    -0.00000    0.00742   -0.97456
 18 O    -0.00000    0.00283    0.02436
 19 Pt    0.00000   -0.02530    0.11786
 20 Pt    0.00000   -0.02926    0.14956
 21 O    -0.20438    0.36495    0.21566
 22 O     0.20438    0.36495    0.21566
 23 O     0.00000   -0.01700   -0.08226
 24 O     0.00000   -0.00110    1.14921
 25 Pt   -0.00000    0.01616   -0.37772
 26 Pt    0.00000   -0.00021   -0.43508
 27 O    -1.69147    0.01343   -0.71801
 28 O     1.69147    0.01343   -0.71801
 29 O    -0.00000    0.04731   -1.38636
 30 O     0.00000   -0.00466    1.83394
 31 Pt   -0.00000    0.01909    0.51090
 32 Pt    0.00000   -0.14596    0.57215
 33 O    -1.61449   -0.01895    0.07092
 34 O     1.61449   -0.01895    0.07092
 35 O     0.00000   -0.03239   -0.52400
 36 O    -0.00000    0.20608   -0.10737
 37 Pt    0.00000   -0.29770   -0.03756
 38 Pt    0.00000   -0.00468   -0.00968
 39 O     0.00922    0.01158    0.01575
 40 O    -0.00922    0.01158    0.01575
 41 O     0.00000   -0.00462    0.00866
 42 O    -0.00000    0.02918   -0.01634
 43 Pt    0.00000   -0.00653    0.04212
 44 Pt    0.00000   -0.08274    0.00726
 45 O    -0.13888   -0.34718    0.05927
 46 O     0.13888   -0.34718    0.05927
 47 O     0.00000   -0.02155   -0.05190
 48 O    -0.00000    0.02217    1.17119
 49 Pt    0.00000   -0.02222   -0.37643
 50 Pt   -0.00000    0.02114   -0.43600
 51 O    -1.69064   -0.01396   -0.71838
 52 O     1.69064   -0.01396   -0.71838
 53 O     0.00000   -0.01235   -1.40448
 54 O     0.00000   -0.00195    1.77590
 55 Pt    0.00000   -0.01222    0.51681
 56 Pt   -0.00000    0.12619    0.64920
 57 O    -1.61392    0.01377    0.09245
 58 O     1.61392    0.01377    0.09245
 59 O     0.00000   -0.02119   -0.51572
 60 O     0.00000   -0.19713   -0.10852
 61 Pt   -0.00000    0.01397   -0.08663
 62 Pt   -0.00000    0.01732   -0.00618
 63 O    -0.01478   -0.00724    0.00341
 64 O     0.01478   -0.00724    0.00341
 65 O     0.00000   -0.00030    0.00329
 66 O     0.00000   -0.01085   -0.00283
 67 Pt   -0.00000    0.00758    0.02564
 68 Pt   -0.00000    0.15016    0.01912
 69 O    -0.00838    0.00287   -0.03060
 70 O     0.00838    0.00287   -0.03060
 71 O    -0.00000    0.00805   -0.04731
 72 N    -0.00000    0.45277    0.44795
 73 N     0.00000   -0.51196    0.07125

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.436991   24.064427    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.372124   23.778524    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:05:06  -2.91   +inf  -414.099107    3      1      
iter:   2  16:07:17  -3.62  -3.25  -414.238627    2      1      
iter:   3  16:09:28  -4.03  -2.53  -414.097845    2      1      
iter:   4  16:11:37  -4.48  -3.80  -414.096416    3      1      
iter:   5  16:13:49  -4.65  -4.06  -414.098510    2      1      
iter:   6  16:15:58  -4.69  -3.80  -414.096440    3      1      
iter:   7  16:18:09  -5.12  -4.15  -414.096535    2      1      
iter:   8  16:20:20  -5.58  -4.34  -414.096691    2      1      
iter:   9  16:22:32  -5.95  -4.37  -414.096492    2      1      
iter:  10  16:24:44  -6.21  -4.11  -414.096732    2      1      
iter:  11  16:26:54  -6.68  -4.45  -414.096411    2      1      
iter:  12  16:29:03  -7.06  -4.76  -414.096725    2      1      
iter:  13  16:31:14  -7.20  -4.81  -414.096554    2      1      
iter:  14  16:33:22  -7.48  -5.10  -414.096577    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962445, -32.567514, 0.058554) |e|*Ang

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

Kinetic:        +19.537799
Potential:     -137.862237
External:        +0.000000
XC:            -305.494451
Entropy (-ST):   -1.564799
Local:          +10.504711
--------------------------
Free energy:   -414.878977
Extrapolated:  -414.096577

Fermi level: -6.48529

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55724    0.14944
  0   340     -6.53987    0.14070
  0   341     -6.53864    0.14007
  0   342     -6.50828    0.12383

  1   339     -6.46048    0.19480
  1   340     -6.41169    0.14394
  1   341     -6.37780    0.11310
  1   342     -6.36407    0.10191



Forces in eV/Ang:
  0 O     0.00000   -0.01729    1.17330
  1 Pt    0.00000   -0.00205   -0.37407
  2 Pt    0.00000   -0.01907   -0.43455
  3 O    -1.68306    0.00020   -0.71863
  4 O     1.68306    0.00020   -0.71863
  5 O     0.00000   -0.01206   -1.38677
  6 O     0.00000   -0.00276    1.76828
  7 Pt   -0.00000    0.01413    0.45150
  8 Pt    0.00000   -0.03918    0.75361
  9 O    -1.58100    0.00063    0.05222
 10 O     1.58100    0.00063    0.05222
 11 O     0.00000   -0.00894   -0.56520
 12 O    -0.00000    0.00939    0.13634
 13 Pt   -0.00000    0.26162   -0.03757
 14 Pt    0.00000   -0.01906    0.00842
 15 O    -0.00103    0.00999    0.00424
 16 O     0.00103    0.00999    0.00424
 17 O    -0.00000    0.00652   -0.97570
 18 O    -0.00000    0.00274    0.02428
 19 Pt    0.00000   -0.02562    0.11656
 20 Pt    0.00000   -0.02809    0.14658
 21 O    -0.20467    0.36558    0.21589
 22 O     0.20467    0.36558    0.21589
 23 O     0.00000   -0.01779   -0.08286
 24 O     0.00000   -0.00105    1.14932
 25 Pt   -0.00000    0.01619   -0.37750
 26 Pt    0.00000   -0.00017   -0.43487
 27 O    -1.69170    0.01343   -0.71792
 28 O     1.69170    0.01343   -0.71792
 29 O    -0.00000    0.04729   -1.38652
 30 O     0.00000   -0.00459    1.83361
 31 Pt   -0.00000    0.01913    0.51118
 32 Pt    0.00000   -0.14583    0.57265
 33 O    -1.61455   -0.01890    0.07127
 34 O     1.61455   -0.01890    0.07127
 35 O     0.00000   -0.03240   -0.52392
 36 O    -0.00000    0.20629   -0.10795
 37 Pt    0.00000   -0.29695   -0.03819
 38 Pt    0.00000   -0.00470   -0.01009
 39 O     0.00890    0.01164    0.01605
 40 O    -0.00890    0.01164    0.01605
 41 O     0.00000   -0.00445    0.00597
 42 O    -0.00000    0.02929   -0.01656
 43 Pt    0.00000   -0.00674    0.04237
 44 Pt    0.00000   -0.08015    0.00401
 45 O    -0.14243   -0.34767    0.06567
 46 O     0.14243   -0.34767    0.06567
 47 O     0.00000   -0.02095   -0.05223
 48 O    -0.00000    0.02221    1.17134
 49 Pt    0.00000   -0.02225   -0.37625
 50 Pt   -0.00000    0.02116   -0.43588
 51 O    -1.69088   -0.01395   -0.71824
 52 O     1.69088   -0.01395   -0.71824
 53 O     0.00000   -0.01233   -1.40457
 54 O     0.00000   -0.00191    1.77524
 55 Pt    0.00000   -0.01242    0.51690
 56 Pt   -0.00000    0.12618    0.64952
 57 O    -1.61398    0.01361    0.09277
 58 O     1.61398    0.01361    0.09277
 59 O     0.00000   -0.02117   -0.51598
 60 O     0.00000   -0.19725   -0.10864
 61 Pt   -0.00000    0.01379   -0.08693
 62 Pt   -0.00000    0.01723   -0.00602
 63 O    -0.01496   -0.00747    0.00367
 64 O     0.01496   -0.00747    0.00367
 65 O     0.00000   -0.00029    0.00126
 66 O     0.00000   -0.01079   -0.00282
 67 Pt   -0.00000    0.00797    0.02456
 68 Pt   -0.00000    0.15013    0.01693
 69 O    -0.00867    0.00243   -0.03105
 70 O     0.00867    0.00243   -0.03105
 71 O    -0.00000    0.00820   -0.04785
 72 N    -0.00000    0.42702    0.41904
 73 N     0.00000   -0.50385    0.03533

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.433168   24.090061    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.371303   23.786789    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:41:12  -2.85   +inf  -414.108300    3      1      
iter:   2  16:43:21  -3.54  -3.19  -414.293700    3      1      
iter:   3  16:45:32  -3.93  -2.47  -414.109123    3      1      
iter:   4  16:47:43  -4.40  -3.68  -414.106361    3      1      
iter:   5  16:49:53  -4.70  -3.74  -414.106542    3      1      
iter:   6  16:52:05  -4.58  -4.10  -414.106188    2      1      
iter:   7  16:54:17  -4.76  -4.05  -414.105626    2      1      
iter:   8  16:56:28  -5.29  -4.35  -414.105799    2      1      
iter:   9  16:58:38  -5.74  -4.33  -414.105586    2      1      
iter:  10  17:00:50  -6.09  -4.52  -414.105755    2      1      
iter:  11  17:03:01  -6.38  -4.50  -414.105517    2      1      
iter:  12  17:05:11  -6.71  -4.54  -414.105849    2      1      
iter:  13  17:07:21  -7.00  -4.70  -414.105803    2      1      
iter:  14  17:09:32  -7.36  -4.80  -414.105606    2      1      
iter:  15  17:11:33  -7.48  -4.48  -414.105796    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962452, -32.568587, 0.057939) |e|*Ang

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

Kinetic:        +19.245557
Potential:     -137.654309
External:        +0.000000
XC:            -305.421313
Entropy (-ST):   -1.564703
Local:          +10.506621
--------------------------
Free energy:   -414.888148
Extrapolated:  -414.105796

Fermi level: -6.48557

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55719    0.14928
  0   340     -6.54027    0.14076
  0   341     -6.53908    0.14015
  0   342     -6.50856    0.12383

  1   339     -6.46076    0.19480
  1   340     -6.41207    0.14404
  1   341     -6.37790    0.11295
  1   342     -6.36477    0.10225



Forces in eV/Ang:
  0 O     0.00000   -0.01725    1.17355
  1 Pt    0.00000   -0.00205   -0.37414
  2 Pt    0.00000   -0.01900   -0.43440
  3 O    -1.68265    0.00025   -0.71871
  4 O     1.68265    0.00025   -0.71871
  5 O     0.00000   -0.01201   -1.38723
  6 O     0.00000   -0.00294    1.76944
  7 Pt   -0.00000    0.01407    0.45172
  8 Pt    0.00000   -0.03957    0.75422
  9 O    -1.58099    0.00051    0.05177
 10 O     1.58099    0.00051    0.05177
 11 O     0.00000   -0.00903   -0.56517
 12 O    -0.00000    0.00904    0.13595
 13 Pt   -0.00000    0.26193   -0.03698
 14 Pt    0.00000   -0.01876    0.00894
 15 O    -0.00095    0.01016    0.00420
 16 O     0.00095    0.01016    0.00420
 17 O    -0.00000    0.00622   -0.97485
 18 O    -0.00000    0.00297    0.02436
 19 Pt    0.00000   -0.02535    0.11516
 20 Pt    0.00000   -0.02510    0.14540
 21 O    -0.20568    0.36603    0.21491
 22 O     0.20568    0.36603    0.21491
 23 O     0.00000   -0.01807   -0.08493
 24 O     0.00000   -0.00107    1.14960
 25 Pt   -0.00000    0.01622   -0.37767
 26 Pt    0.00000   -0.00021   -0.43473
 27 O    -1.69134    0.01343   -0.71800
 28 O     1.69134    0.01343   -0.71800
 29 O    -0.00000    0.04726   -1.38712
 30 O     0.00000   -0.00439    1.83460
 31 Pt   -0.00000    0.01908    0.51148
 32 Pt    0.00000   -0.14553    0.57331
 33 O    -1.61437   -0.01897    0.07086
 34 O     1.61437   -0.01897    0.07086
 35 O     0.00000   -0.03232   -0.52392
 36 O    -0.00000    0.20661   -0.10828
 37 Pt    0.00000   -0.29603   -0.03746
 38 Pt    0.00000   -0.00505   -0.00943
 39 O     0.00901    0.01161    0.01632
 40 O    -0.00901    0.01161    0.01632
 41 O     0.00000   -0.00482    0.00584
 42 O    -0.00000    0.02920   -0.01657
 43 Pt    0.00000   -0.00718    0.04274
 44 Pt    0.00000   -0.07881    0.00110
 45 O    -0.14658   -0.34854    0.07330
 46 O     0.14658   -0.34854    0.07330
 47 O     0.00000   -0.02054   -0.05394
 48 O    -0.00000    0.02218    1.17160
 49 Pt    0.00000   -0.02229   -0.37633
 50 Pt   -0.00000    0.02112   -0.43559
 51 O    -1.69049   -0.01401   -0.71831
 52 O     1.69049   -0.01401   -0.71831
 53 O     0.00000   -0.01235   -1.40485
 54 O     0.00000   -0.00193    1.77689
 55 Pt    0.00000   -0.01229    0.51705
 56 Pt   -0.00000    0.12623    0.64995
 57 O    -1.61388    0.01380    0.09228
 58 O     1.61388    0.01380    0.09228
 59 O     0.00000   -0.02116   -0.51592
 60 O     0.00000   -0.19736   -0.10958
 61 Pt   -0.00000    0.01301   -0.08608
 62 Pt   -0.00000    0.01725   -0.00595
 63 O    -0.01479   -0.00758    0.00361
 64 O     0.01479   -0.00758    0.00361
 65 O     0.00000   -0.00046    0.00598
 66 O     0.00000   -0.01089   -0.00293
 67 Pt   -0.00000    0.00792    0.02351
 68 Pt   -0.00000    0.15007    0.01423
 69 O    -0.00972    0.00243   -0.03232
 70 O     0.00972    0.00243   -0.03232
 71 O    -0.00000    0.00801   -0.04942
 72 N    -0.00000    0.16656    0.27101
 73 N     0.00000   -0.25982    0.12765

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.431042   24.120560    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.368376   23.794573    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:17:02  -2.67   +inf  -414.304882    3      1      
iter:   2  17:19:11  -2.58  -2.45  -419.257924    3      1      
iter:   3  17:21:21  -3.01  -1.79  -414.191521    3      1      
iter:   4  17:23:33  -3.42  -2.72  -414.122500    3      1      
iter:   5  17:25:43  -3.93  -3.49  -414.116797    2      1      
iter:   6  17:27:53  -4.30  -3.47  -414.116671    3      1      
iter:   7  17:30:02  -4.71  -3.72  -414.115690    3      1      
iter:   8  17:32:12  -4.66  -3.58  -414.113889    3      1      
iter:   9  17:34:24  -4.65  -3.94  -414.113602    3      1      
iter:  10  17:36:36  -5.05  -3.93  -414.112643    2      1      
iter:  11  17:38:45  -5.93  -4.09  -414.113244    2      1      
iter:  12  17:40:55  -5.98  -4.21  -414.112803    2      1      
iter:  13  17:43:07  -5.97  -4.28  -414.113265    2      1      
iter:  14  17:45:17  -6.23  -4.04  -414.113293    2      1      
iter:  15  17:47:23  -6.51  -4.17  -414.113293    2      1      
iter:  16  17:49:29  -6.44  -4.45  -414.113372    2      1      
iter:  17  17:51:35  -6.34  -4.38  -414.112836    2      1      
iter:  18  17:53:35  -6.86  -4.58  -414.113075    2      1      
iter:  19  17:55:23  -7.28  -4.84  -414.113034    2      1      
iter:  20  17:57:11  -7.49  -4.92  -414.113031    2      1      

Converged after 20 iterations.

Dipole moment: (-55.962470, -32.569313, 0.056883) |e|*Ang

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

Kinetic:        +18.035433
Potential:     -136.708856
External:        +0.000000
XC:            -305.164012
Entropy (-ST):   -1.564865
Local:          +10.506836
--------------------------
Free energy:   -414.895463
Extrapolated:  -414.113031

Fermi level: -6.48701

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55904    0.14948
  0   340     -6.54139    0.14060
  0   341     -6.54015    0.13996
  0   342     -6.51029    0.12399

  1   339     -6.46202    0.19460
  1   340     -6.41326    0.14380
  1   341     -6.37922    0.11284
  1   342     -6.36662    0.10257



Forces in eV/Ang:
  0 O     0.00000   -0.01729    1.17410
  1 Pt    0.00000   -0.00204   -0.37450
  2 Pt    0.00000   -0.01902   -0.43399
  3 O    -1.68436    0.00021   -0.71834
  4 O     1.68436    0.00021   -0.71834
  5 O     0.00000   -0.01183   -1.38643
  6 O     0.00000   -0.00254    1.76383
  7 Pt   -0.00000    0.01394    0.45021
  8 Pt    0.00000   -0.03944    0.75334
  9 O    -1.58140    0.00049    0.05175
 10 O     1.58140    0.00049    0.05175
 11 O     0.00000   -0.00891   -0.56537
 12 O    -0.00000    0.00861    0.13588
 13 Pt   -0.00000    0.26234   -0.03860
 14 Pt    0.00000   -0.01953    0.00767
 15 O    -0.00069    0.00995    0.00398
 16 O     0.00069    0.00995    0.00398
 17 O    -0.00000    0.00507   -0.97839
 18 O    -0.00000    0.00275    0.02573
 19 Pt    0.00000   -0.02517    0.11246
 20 Pt    0.00000   -0.01784    0.15527
 21 O    -0.20494    0.36625    0.21454
 22 O     0.20494    0.36625    0.21454
 23 O     0.00000   -0.01796   -0.08616
 24 O     0.00000   -0.00103    1.15015
 25 Pt   -0.00000    0.01624   -0.37778
 26 Pt    0.00000   -0.00018   -0.43428
 27 O    -1.69295    0.01343   -0.71755
 28 O     1.69295    0.01343   -0.71755
 29 O    -0.00000    0.04714   -1.38636
 30 O     0.00000   -0.00471    1.82903
 31 Pt   -0.00000    0.01903    0.50953
 32 Pt    0.00000   -0.14567    0.57234
 33 O    -1.61485   -0.01895    0.07084
 34 O     1.61485   -0.01895    0.07084
 35 O     0.00000   -0.03240   -0.52428
 36 O    -0.00000    0.20682   -0.10841
 37 Pt    0.00000   -0.29537   -0.03911
 38 Pt    0.00000   -0.00435   -0.01060
 39 O     0.00992    0.01156    0.01601
 40 O    -0.00992    0.01156    0.01601
 41 O     0.00000   -0.00477   -0.00149
 42 O    -0.00000    0.02956   -0.01512
 43 Pt    0.00000   -0.00755    0.04459
 44 Pt    0.00000   -0.07983    0.00537
 45 O    -0.15044   -0.34815    0.08374
 46 O     0.15044   -0.34815    0.08374
 47 O     0.00000   -0.02029   -0.05460
 48 O    -0.00000    0.02218    1.17210
 49 Pt    0.00000   -0.02232   -0.37665
 50 Pt   -0.00000    0.02112   -0.43537
 51 O    -1.69218   -0.01396   -0.71792
 52 O     1.69218   -0.01396   -0.71792
 53 O     0.00000   -0.01237   -1.40428
 54 O     0.00000   -0.00201    1.77114
 55 Pt    0.00000   -0.01213    0.51546
 56 Pt   -0.00000    0.12618    0.64941
 57 O    -1.61431    0.01380    0.09226
 58 O     1.61431    0.01380    0.09226
 59 O     0.00000   -0.02120   -0.51565
 60 O     0.00000   -0.19736   -0.10967
 61 Pt   -0.00000    0.01246   -0.08785
 62 Pt   -0.00000    0.01731   -0.00738
 63 O    -0.01454   -0.00729    0.00334
 64 O     0.01454   -0.00729    0.00334
 65 O     0.00000   -0.00032   -0.00164
 66 O     0.00000   -0.01094   -0.00168
 67 Pt   -0.00000    0.00776    0.02163
 68 Pt   -0.00000    0.14981    0.01182
 69 O    -0.00887    0.00166   -0.03235
 70 O     0.00887    0.00166   -0.03235
 71 O    -0.00000    0.00755   -0.05045
 72 N     0.00000   -0.79762    0.02390
 73 N    -0.00000    0.71337    0.44748

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.418845   24.116617    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.374143   23.803398    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:01:50  -2.73   +inf  -415.425469    31     1      
iter:   2  18:03:55  -1.85  -2.08  -436.411194    35     1      
iter:   3  18:05:58  -2.25  -1.49  -414.368079    35     1      
iter:   4  18:08:06  -2.87  -2.39  -414.246925    4      1      
iter:   5  18:10:14  -3.56  -2.63  -414.147545    3      1      
iter:   6  18:12:23  -3.75  -2.93  -414.120278    3      1      
iter:   7  18:14:32  -3.86  -3.21  -414.113947    3      1      
iter:   8  18:16:43  -4.09  -3.21  -414.124101    3      1      
iter:   9  18:18:54  -4.50  -3.04  -414.105443    3      1      
iter:  10  18:21:06  -4.18  -3.53  -414.103512    3      1      
iter:  11  18:23:19  -4.50  -3.67  -414.100375    3      1      
iter:  12  18:25:29  -4.69  -3.70  -414.101701    3      1      
iter:  13  18:27:40  -5.05  -3.78  -414.100492    3      1      
iter:  14  18:29:51  -5.37  -3.82  -414.101042    3      1      
iter:  15  18:32:03  -5.57  -3.66  -414.100272    2      1      
iter:  16  18:34:16  -5.54  -3.82  -414.099971    3      1      
iter:  17  18:36:25  -5.55  -4.17  -414.100562    2      1      
iter:  18  18:38:36  -6.13  -4.25  -414.099729    3      1      
iter:  19  18:40:46  -6.40  -4.30  -414.100042    2      1      
iter:  20  18:42:59  -6.41  -4.49  -414.100042    2      1      
iter:  21  18:45:12  -6.50  -4.51  -414.100422    2      1      
iter:  22  18:47:24  -6.73  -3.92  -414.100104    2      1      
iter:  23  18:49:13  -7.29  -4.83  -414.100044    2      1      
iter:  24  18:51:03  -7.65  -4.91  -414.100115    2      1      

Converged after 24 iterations.

Dipole moment: (-55.962361, -32.569678, 0.058745) |e|*Ang

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

Kinetic:        +21.512513
Potential:     -139.477540
External:        +0.000000
XC:            -305.863311
Entropy (-ST):   -1.564575
Local:          +10.510511
--------------------------
Free energy:   -414.882403
Extrapolated:  -414.100115

Fermi level: -6.48496

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55621    0.14910
  0   340     -6.53955    0.14071
  0   341     -6.53835    0.14009
  0   342     -6.50814    0.12394

  1   339     -6.46003    0.19466
  1   340     -6.41136    0.14395
  1   341     -6.37684    0.11257
  1   342     -6.36511    0.10300



Forces in eV/Ang:
  0 O     0.00000   -0.01731    1.17369
  1 Pt    0.00000   -0.00205   -0.37521
  2 Pt    0.00000   -0.01901   -0.43493
  3 O    -1.68369    0.00023   -0.71895
  4 O     1.68369    0.00023   -0.71895
  5 O     0.00000   -0.01181   -1.38725
  6 O     0.00000   -0.00264    1.76712
  7 Pt   -0.00000    0.01399    0.45095
  8 Pt    0.00000   -0.03966    0.75412
  9 O    -1.58092    0.00050    0.05114
 10 O     1.58092    0.00050    0.05114
 11 O     0.00000   -0.00893   -0.56576
 12 O    -0.00000    0.00880    0.13494
 13 Pt   -0.00000    0.26182   -0.03865
 14 Pt    0.00000   -0.01944    0.00784
 15 O    -0.00073    0.01003    0.00353
 16 O     0.00073    0.01003    0.00353
 17 O    -0.00000    0.00604   -0.97773
 18 O    -0.00000    0.00228    0.02517
 19 Pt    0.00000   -0.02464    0.11813
 20 Pt    0.00000   -0.03244    0.12930
 21 O    -0.20511    0.36834    0.21999
 22 O     0.20511    0.36834    0.21999
 23 O     0.00000   -0.01503   -0.08269
 24 O     0.00000   -0.00103    1.14972
 25 Pt   -0.00000    0.01628   -0.37849
 26 Pt    0.00000   -0.00021   -0.43518
 27 O    -1.69231    0.01341   -0.71819
 28 O     1.69231    0.01341   -0.71819
 29 O    -0.00000    0.04706   -1.38732
 30 O     0.00000   -0.00462    1.83240
 31 Pt   -0.00000    0.01904    0.51038
 32 Pt    0.00000   -0.14524    0.57351
 33 O    -1.61429   -0.01897    0.07019
 34 O     1.61429   -0.01897    0.07019
 35 O     0.00000   -0.03238   -0.52455
 36 O    -0.00000    0.20726   -0.11014
 37 Pt    0.00000   -0.29566   -0.03984
 38 Pt    0.00000   -0.00440   -0.01049
 39 O     0.00980    0.01151    0.01531
 40 O    -0.00980    0.01151    0.01531
 41 O     0.00000   -0.00427    0.00309
 42 O    -0.00000    0.03015   -0.01595
 43 Pt    0.00000   -0.00733    0.05316
 44 Pt    0.00000   -0.07340    0.00135
 45 O    -0.15530   -0.35150    0.09787
 46 O     0.15530   -0.35150    0.09787
 47 O     0.00000   -0.02343   -0.05136
 48 O    -0.00000    0.02220    1.17169
 49 Pt    0.00000   -0.02235   -0.37736
 50 Pt   -0.00000    0.02114   -0.43630
 51 O    -1.69150   -0.01396   -0.71853
 52 O     1.69150   -0.01396   -0.71853
 53 O     0.00000   -0.01233   -1.40498
 54 O     0.00000   -0.00200    1.77465
 55 Pt    0.00000   -0.01218    0.51626
 56 Pt   -0.00000    0.12605    0.65004
 57 O    -1.61382    0.01381    0.09166
 58 O     1.61382    0.01381    0.09166
 59 O     0.00000   -0.02122   -0.51604
 60 O     0.00000   -0.19764   -0.11047
 61 Pt   -0.00000    0.01280   -0.08761
 62 Pt   -0.00000    0.01731   -0.00678
 63 O    -0.01443   -0.00734    0.00287
 64 O     0.01443   -0.00734    0.00287
 65 O     0.00000   -0.00048    0.00314
 66 O     0.00000   -0.01089   -0.00225
 67 Pt   -0.00000    0.00748    0.02698
 68 Pt   -0.00000    0.14999    0.01795
 69 O    -0.00906    0.00045   -0.02816
 70 O     0.00906    0.00045   -0.02816
 71 O    -0.00000    0.00779   -0.04823
 72 N    -0.00000    2.10161    0.90839
 73 N     0.00000   -2.13225   -0.44861

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.416810   24.156565    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.370147   23.813618    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:55:41  -2.41   +inf  -414.379644    4      1      
iter:   2  18:57:45  -2.47  -2.41  -420.137719    3      1      
iter:   3  18:59:51  -2.91  -1.76  -414.225430    3      1      
iter:   4  19:01:59  -3.38  -2.70  -414.142503    3      1      
iter:   5  19:04:07  -3.74  -3.34  -414.140875    3      1      
iter:   6  19:06:16  -4.25  -3.31  -414.133927    1      1      
iter:   7  19:08:27  -4.52  -3.47  -414.133591    3      1      
iter:   8  19:10:39  -4.42  -3.46  -414.129621    3      1      
iter:   9  19:12:49  -4.38  -3.78  -414.128418    3      1      
iter:  10  19:14:59  -4.78  -3.86  -414.127418    2      1      
iter:  11  19:17:08  -5.35  -3.98  -414.127792    2      1      
iter:  12  19:19:19  -5.46  -4.12  -414.127128    2      1      
iter:  13  19:21:30  -5.75  -4.13  -414.128077    2      1      
iter:  14  19:23:39  -5.95  -3.87  -414.128030    2      1      
iter:  15  19:25:51  -6.34  -4.27  -414.127880    2      1      
iter:  16  19:28:01  -6.34  -4.43  -414.127928    3      1      
iter:  17  19:30:13  -6.39  -4.41  -414.127662    2      1      
iter:  18  19:32:25  -6.91  -4.65  -414.127701    2      1      
iter:  19  19:34:14  -7.26  -4.81  -414.127588    2      1      
iter:  20  19:36:03  -7.28  -4.71  -414.127562    2      1      
iter:  21  19:37:52  -7.73  -4.71  -414.127643    2      1      

Converged after 21 iterations.

Dipole moment: (-55.962490, -32.571221, 0.057800) |e|*Ang

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

Kinetic:        +19.680556
Potential:     -138.058763
External:        +0.000000
XC:            -305.472941
Entropy (-ST):   -1.564686
Local:          +10.505848
--------------------------
Free energy:   -414.909986
Extrapolated:  -414.127643

Fermi level: -6.48608

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55744    0.14916
  0   340     -6.54057    0.14066
  0   341     -6.53937    0.14004
  0   342     -6.50944    0.12403

  1   339     -6.46109    0.19460
  1   340     -6.41242    0.14389
  1   341     -6.37785    0.11248
  1   342     -6.36664    0.10333



Forces in eV/Ang:
  0 O     0.00000   -0.01735    1.17431
  1 Pt    0.00000   -0.00203   -0.37467
  2 Pt    0.00000   -0.01904   -0.43418
  3 O    -1.68361    0.00021   -0.71829
  4 O     1.68361    0.00021   -0.71829
  5 O     0.00000   -0.01173   -1.38698
  6 O     0.00000   -0.00255    1.76540
  7 Pt   -0.00000    0.01398    0.45085
  8 Pt    0.00000   -0.03976    0.75449
  9 O    -1.58127    0.00049    0.05159
 10 O     1.58127    0.00049    0.05159
 11 O     0.00000   -0.00890   -0.56544
 12 O    -0.00000    0.00826    0.13481
 13 Pt   -0.00000    0.26272   -0.03830
 14 Pt    0.00000   -0.01963    0.00763
 15 O    -0.00069    0.01007    0.00373
 16 O     0.00069    0.01007    0.00373
 17 O    -0.00000    0.00483   -0.97705
 18 O    -0.00000    0.00250    0.02552
 19 Pt    0.00000   -0.02542    0.11294
 20 Pt    0.00000   -0.02276    0.14695
 21 O    -0.20608    0.36843    0.21612
 22 O     0.20608    0.36843    0.21612
 23 O     0.00000   -0.01782   -0.08631
 24 O     0.00000   -0.00099    1.15032
 25 Pt   -0.00000    0.01632   -0.37788
 26 Pt    0.00000   -0.00018   -0.43444
 27 O    -1.69219    0.01342   -0.71753
 28 O     1.69219    0.01342   -0.71753
 29 O    -0.00000    0.04702   -1.38711
 30 O     0.00000   -0.00468    1.83062
 31 Pt   -0.00000    0.01901    0.51020
 32 Pt    0.00000   -0.14526    0.57389
 33 O    -1.61465   -0.01894    0.07065
 34 O     1.61465   -0.01894    0.07065
 35 O     0.00000   -0.03241   -0.52431
 36 O    -0.00000    0.20758   -0.11015
 37 Pt    0.00000   -0.29523   -0.03930
 38 Pt    0.00000   -0.00422   -0.01055
 39 O     0.01002    0.01152    0.01573
 40 O    -0.01002    0.01152    0.01573
 41 O     0.00000   -0.00439    0.00017
 42 O    -0.00000    0.03000   -0.01556
 43 Pt    0.00000   -0.00758    0.04921
 44 Pt    0.00000   -0.07493    0.00348
 45 O    -0.15715   -0.35147    0.09892
 46 O     0.15715   -0.35147    0.09892
 47 O     0.00000   -0.02044   -0.05472
 48 O    -0.00000    0.02220    1.17228
 49 Pt    0.00000   -0.02240   -0.37682
 50 Pt   -0.00000    0.02113   -0.43564
 51 O    -1.69143   -0.01395   -0.71788
 52 O     1.69143   -0.01395   -0.71788
 53 O     0.00000   -0.01235   -1.40473
 54 O     0.00000   -0.00202    1.77279
 55 Pt    0.00000   -0.01214    0.51612
 56 Pt   -0.00000    0.12609    0.65062
 57 O    -1.61417    0.01379    0.09206
 58 O     1.61417    0.01379    0.09206
 59 O     0.00000   -0.02120   -0.51565
 60 O     0.00000   -0.19765   -0.11068
 61 Pt   -0.00000    0.01213   -0.08776
 62 Pt   -0.00000    0.01728   -0.00726
 63 O    -0.01455   -0.00736    0.00303
 64 O     0.01455   -0.00736    0.00303
 65 O     0.00000   -0.00040    0.00139
 66 O     0.00000   -0.01097   -0.00229
 67 Pt   -0.00000    0.00815    0.02215
 68 Pt   -0.00000    0.15008    0.01254
 69 O    -0.00964    0.00072   -0.03181
 70 O     0.00964    0.00072   -0.03181
 71 O    -0.00000    0.00751   -0.05083
 72 N    -0.00000    0.50932    0.43593
 73 N     0.00000   -0.54094    0.01494

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.412027   24.191279    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.368112   23.824510    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:42:27  -2.60   +inf  -414.169014    3      1      
iter:   2  19:44:35  -3.09  -2.81  -415.104674    3      1      
iter:   3  19:46:44  -3.48  -2.12  -414.159414    3      1      
iter:   4  19:48:51  -3.99  -3.16  -414.146506    3      1      
iter:   5  19:51:00  -4.33  -3.36  -414.143466    3      1      
iter:   6  19:53:11  -4.54  -3.82  -414.142928    3      1      
iter:   7  19:55:23  -4.34  -3.61  -414.140145    3      1      
iter:   8  19:57:34  -4.61  -3.89  -414.140676    2      1      
iter:   9  19:59:46  -5.09  -4.13  -414.140247    2      1      
iter:  10  20:01:56  -5.85  -4.14  -414.141176    2      1      
iter:  11  20:04:09  -6.01  -4.10  -414.140540    3      1      
iter:  12  20:06:20  -6.02  -4.21  -414.140476    2      1      
iter:  13  20:08:31  -6.28  -4.17  -414.140772    2      1      
iter:  14  20:10:43  -6.46  -4.41  -414.140756    2      1      
iter:  15  20:12:55  -6.48  -4.53  -414.140715    2      1      
iter:  16  20:15:07  -6.77  -4.68  -414.140486    2      1      
iter:  17  20:17:05  -7.39  -4.87  -414.140620    2      1      
iter:  18  20:18:54  -7.97  -4.95  -414.140619    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962565, -32.572343, 0.056627) |e|*Ang

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

Kinetic:        +18.770965
Potential:     -137.346674
External:        +0.000000
XC:            -305.286130
Entropy (-ST):   -1.564696
Local:          +10.503569
--------------------------
Free energy:   -414.922967
Extrapolated:  -414.140619

Fermi level: -6.48665

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55765    0.14898
  0   340     -6.54134    0.14076
  0   341     -6.54018    0.14016
  0   342     -6.51008    0.12407

  1   339     -6.46177    0.19472
  1   340     -6.41309    0.14399
  1   341     -6.37833    0.11240
  1   342     -6.36770    0.10371



Forces in eV/Ang:
  0 O     0.00000   -0.01736    1.17404
  1 Pt    0.00000   -0.00207   -0.37424
  2 Pt    0.00000   -0.01903   -0.43386
  3 O    -1.68236    0.00022   -0.71851
  4 O     1.68236    0.00022   -0.71851
  5 O     0.00000   -0.01168   -1.38753
  6 O     0.00000   -0.00264    1.77012
  7 Pt   -0.00000    0.01401    0.45216
  8 Pt    0.00000   -0.03997    0.75530
  9 O    -1.58084    0.00049    0.05163
 10 O     1.58084    0.00049    0.05163
 11 O     0.00000   -0.00889   -0.56552
 12 O    -0.00000    0.00827    0.13450
 13 Pt   -0.00000    0.26291   -0.03664
 14 Pt    0.00000   -0.01938    0.00860
 15 O    -0.00083    0.01020    0.00422
 16 O     0.00083    0.01020    0.00422
 17 O    -0.00000    0.00409   -0.97527
 18 O    -0.00000    0.00261    0.02463
 19 Pt    0.00000   -0.02536    0.11312
 20 Pt    0.00000   -0.01975    0.14563
 21 O    -0.20713    0.36916    0.21650
 22 O     0.20713    0.36916    0.21650
 23 O     0.00000   -0.01809   -0.08567
 24 O     0.00000   -0.00099    1.15007
 25 Pt   -0.00000    0.01635   -0.37747
 26 Pt    0.00000   -0.00020   -0.43412
 27 O    -1.69096    0.01342   -0.71777
 28 O     1.69096    0.01342   -0.71777
 29 O    -0.00000    0.04696   -1.38777
 30 O     0.00000   -0.00462    1.83535
 31 Pt   -0.00000    0.01902    0.51168
 32 Pt    0.00000   -0.14506    0.57480
 33 O    -1.61411   -0.01895    0.07075
 34 O     1.61411   -0.01895    0.07075
 35 O     0.00000   -0.03244   -0.52434
 36 O    -0.00000    0.20761   -0.11064
 37 Pt    0.00000   -0.29471   -0.03790
 38 Pt    0.00000   -0.00447   -0.00957
 39 O     0.00972    0.01156    0.01644
 40 O    -0.00972    0.01156    0.01644
 41 O     0.00000   -0.00412    0.00157
 42 O    -0.00000    0.02988   -0.01656
 43 Pt    0.00000   -0.00809    0.05143
 44 Pt    0.00000   -0.07477    0.00095
 45 O    -0.16156   -0.35248    0.10702
 46 O     0.16156   -0.35248    0.10702
 47 O     0.00000   -0.02062   -0.05376
 48 O    -0.00000    0.02222    1.17204
 49 Pt    0.00000   -0.02240   -0.37640
 50 Pt   -0.00000    0.02114   -0.43530
 51 O    -1.69018   -0.01395   -0.71811
 52 O     1.69018   -0.01395   -0.71811
 53 O     0.00000   -0.01233   -1.40523
 54 O     0.00000   -0.00199    1.77767
 55 Pt    0.00000   -0.01217    0.51747
 56 Pt   -0.00000    0.12606    0.65125
 57 O    -1.61369    0.01381    0.09209
 58 O     1.61369    0.01381    0.09209
 59 O     0.00000   -0.02118   -0.51589
 60 O     0.00000   -0.19782   -0.11090
 61 Pt   -0.00000    0.01188   -0.08610
 62 Pt   -0.00000    0.01725   -0.00609
 63 O    -0.01472   -0.00753    0.00349
 64 O     0.01472   -0.00753    0.00349
 65 O     0.00000   -0.00059    0.00480
 66 O     0.00000   -0.01090   -0.00309
 67 Pt   -0.00000    0.00842    0.02182
 68 Pt   -0.00000    0.15065    0.01068
 69 O    -0.01044    0.00043   -0.03187
 70 O     0.01044    0.00043   -0.03187
 71 O    -0.00000    0.00784   -0.05061
 72 N     0.00000   -0.17941    0.09826
 73 N    -0.00000    0.10501    0.25112

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.406153   24.220635    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.366037   23.835701    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:23:31  -2.75   +inf  -414.222748    3      1      
iter:   2  20:25:39  -2.91  -2.64  -416.522211    2      1      
iter:   3  20:27:50  -3.32  -1.94  -414.173328    3      1      
iter:   4  20:30:00  -3.86  -2.98  -414.152217    2      1      
iter:   5  20:32:11  -4.30  -3.71  -414.148662    2      1      
iter:   6  20:34:23  -4.55  -3.69  -414.149319    3      1      
iter:   7  20:36:34  -4.72  -3.83  -414.148063    2      1      
iter:   8  20:38:43  -4.87  -3.95  -414.148511    2      1      
iter:   9  20:40:55  -5.24  -4.24  -414.148184    2      1      
iter:  10  20:43:08  -6.10  -4.09  -414.148628    2      1      
iter:  11  20:45:20  -6.28  -4.06  -414.148531    2      1      
iter:  12  20:47:30  -6.42  -4.36  -414.148097    2      1      
iter:  13  20:49:41  -6.55  -4.42  -414.148595    2      1      
iter:  14  20:51:53  -6.55  -4.54  -414.148599    2      1      
iter:  15  20:53:42  -6.85  -4.70  -414.148623    2      1      
iter:  16  20:55:31  -6.78  -4.52  -414.148371    2      1      
iter:  17  20:57:18  -7.02  -4.25  -414.148469    2      1      
iter:  18  20:59:07  -7.81  -4.91  -414.148487    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962597, -32.572991, 0.056012) |e|*Ang

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

Kinetic:        +18.275501
Potential:     -136.963618
External:        +0.000000
XC:            -305.181886
Entropy (-ST):   -1.564690
Local:          +10.503861
--------------------------
Free energy:   -414.930832
Extrapolated:  -414.148487

Fermi level: -6.48752

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55856    0.14900
  0   340     -6.54208    0.14069
  0   341     -6.54092    0.14009
  0   342     -6.51115    0.12418

  1   339     -6.46251    0.19458
  1   340     -6.41386    0.14389
  1   341     -6.37904    0.11227
  1   342     -6.36908    0.10411



Forces in eV/Ang:
  0 O     0.00000   -0.01740    1.17394
  1 Pt    0.00000   -0.00208   -0.37477
  2 Pt    0.00000   -0.01903   -0.43455
  3 O    -1.68331    0.00021   -0.71852
  4 O     1.68331    0.00021   -0.71852
  5 O     0.00000   -0.01163   -1.38705
  6 O     0.00000   -0.00266    1.76822
  7 Pt   -0.00000    0.01402    0.45209
  8 Pt    0.00000   -0.04012    0.75545
  9 O    -1.58083    0.00049    0.05244
 10 O     1.58083    0.00049    0.05244
 11 O     0.00000   -0.00889   -0.56507
 12 O    -0.00000    0.00819    0.13469
 13 Pt   -0.00000    0.26329   -0.03659
 14 Pt    0.00000   -0.01951    0.00850
 15 O    -0.00061    0.01019    0.00468
 16 O     0.00061    0.01019    0.00468
 17 O    -0.00000    0.00366   -0.97816
 18 O    -0.00000    0.00228    0.02546
 19 Pt    0.00000   -0.02508    0.11516
 20 Pt    0.00000   -0.02016    0.14441
 21 O    -0.20697    0.36985    0.21899
 22 O     0.20697    0.36985    0.21899
 23 O     0.00000   -0.01787   -0.08531
 24 O     0.00000   -0.00097    1.14997
 25 Pt   -0.00000    0.01639   -0.37796
 26 Pt    0.00000   -0.00020   -0.43481
 27 O    -1.69191    0.01343   -0.71778
 28 O     1.69191    0.01343   -0.71778
 29 O    -0.00000    0.04690   -1.38737
 30 O     0.00000   -0.00462    1.83342
 31 Pt   -0.00000    0.01902    0.51163
 32 Pt    0.00000   -0.14485    0.57506
 33 O    -1.61407   -0.01894    0.07160
 34 O     1.61407   -0.01894    0.07160
 35 O     0.00000   -0.03245   -0.52392
 36 O    -0.00000    0.20794   -0.11086
 37 Pt    0.00000   -0.29471   -0.03823
 38 Pt    0.00000   -0.00432   -0.00964
 39 O     0.00998    0.01156    0.01678
 40 O    -0.00998    0.01156    0.01678
 41 O     0.00000   -0.00383   -0.00146
 42 O    -0.00000    0.03033   -0.01584
 43 Pt    0.00000   -0.00834    0.05564
 44 Pt    0.00000   -0.07333    0.00103
 45 O    -0.16459   -0.35350    0.11653
 46 O     0.16459   -0.35350    0.11653
 47 O     0.00000   -0.02100   -0.05308
 48 O    -0.00000    0.02223    1.17194
 49 Pt    0.00000   -0.02244   -0.37693
 50 Pt   -0.00000    0.02114   -0.43604
 51 O    -1.69113   -0.01396   -0.71811
 52 O     1.69113   -0.01396   -0.71811
 53 O     0.00000   -0.01232   -1.40471
 54 O     0.00000   -0.00198    1.77578
 55 Pt    0.00000   -0.01218    0.51740
 56 Pt   -0.00000    0.12599    0.65140
 57 O    -1.61369    0.01380    0.09289
 58 O     1.61369    0.01380    0.09289
 59 O     0.00000   -0.02117   -0.51543
 60 O     0.00000   -0.19812   -0.11074
 61 Pt   -0.00000    0.01174   -0.08609
 62 Pt   -0.00000    0.01722   -0.00594
 63 O    -0.01454   -0.00750    0.00394
 64 O     0.01454   -0.00750    0.00394
 65 O     0.00000   -0.00061    0.00309
 66 O     0.00000   -0.01093   -0.00248
 67 Pt   -0.00000    0.00834    0.02365
 68 Pt   -0.00000    0.15098    0.01331
 69 O    -0.01009   -0.00013   -0.02975
 70 O     0.01009   -0.00013   -0.02975
 71 O    -0.00000    0.00793   -0.04972
 72 N     0.00000   -0.51818    0.00686
 73 N    -0.00000    0.41247    0.30336

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.400280   24.249105    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.364195   23.846646    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:03:43  -2.79   +inf  -414.168657    3      1      
iter:   2  21:05:53  -3.31  -2.93  -414.768071    3      1      
iter:   3  21:08:05  -3.68  -2.22  -414.164405    3      1      
iter:   4  21:10:17  -4.22  -3.36  -414.157114    3      1      
iter:   5  21:12:27  -4.56  -3.58  -414.155954    2      1      
iter:   6  21:14:37  -4.68  -3.99  -414.155446    3      1      
iter:   7  21:16:48  -4.60  -3.85  -414.154374    2      1      
iter:   8  21:18:59  -5.08  -4.10  -414.154779    2      1      
iter:   9  21:21:09  -5.52  -4.33  -414.154475    2      1      
iter:  10  21:23:20  -6.12  -4.35  -414.155280    2      1      
iter:  11  21:25:31  -6.31  -4.21  -414.154742    2      1      
iter:  12  21:27:42  -6.48  -4.25  -414.154703    2      1      
iter:  13  21:29:55  -6.67  -4.47  -414.154896    2      1      
iter:  14  21:32:08  -6.86  -4.55  -414.154913    2      1      
iter:  15  21:33:56  -7.01  -4.56  -414.154883    2      1      
iter:  16  21:35:45  -6.97  -4.74  -414.154673    2      1      
iter:  17  21:37:33  -7.62  -5.00  -414.154791    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962636, -32.573661, 0.055462) |e|*Ang

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

Kinetic:        +17.831384
Potential:     -136.622644
External:        +0.000000
XC:            -305.084504
Entropy (-ST):   -1.564757
Local:          +10.503352
--------------------------
Free energy:   -414.937169
Extrapolated:  -414.154791

Fermi level: -6.48815

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55924    0.14902
  0   340     -6.54259    0.14063
  0   341     -6.54141    0.14002
  0   342     -6.51197    0.12428

  1   339     -6.46306    0.19449
  1   340     -6.41438    0.14379
  1   341     -6.37952    0.11214
  1   342     -6.37019    0.10450



Forces in eV/Ang:
  0 O     0.00000   -0.01739    1.17412
  1 Pt    0.00000   -0.00208   -0.37512
  2 Pt    0.00000   -0.01901   -0.43458
  3 O    -1.68381    0.00023   -0.71867
  4 O     1.68381    0.00023   -0.71867
  5 O     0.00000   -0.01158   -1.38740
  6 O     0.00000   -0.00269    1.76542
  7 Pt   -0.00000    0.01402    0.45036
  8 Pt    0.00000   -0.04027    0.75452
  9 O    -1.58100    0.00047    0.05124
 10 O     1.58100    0.00047    0.05124
 11 O     0.00000   -0.00888   -0.56596
 12 O    -0.00000    0.00820    0.13381
 13 Pt   -0.00000    0.26373   -0.03830
 14 Pt    0.00000   -0.01952    0.00743
 15 O    -0.00046    0.01023    0.00403
 16 O     0.00046    0.01023    0.00403
 17 O    -0.00000    0.00312   -0.98179
 18 O    -0.00000    0.00215    0.02538
 19 Pt    0.00000   -0.02497    0.11490
 20 Pt    0.00000   -0.01808    0.14784
 21 O    -0.20664    0.37039    0.21977
 22 O     0.20664    0.37039    0.21977
 23 O     0.00000   -0.01753   -0.08458
 24 O     0.00000   -0.00096    1.15015
 25 Pt   -0.00000    0.01642   -0.37831
 26 Pt    0.00000   -0.00022   -0.43484
 27 O    -1.69242    0.01342   -0.71795
 28 O     1.69242    0.01342   -0.71795
 29 O    -0.00000    0.04684   -1.38783
 30 O     0.00000   -0.00458    1.83062
 31 Pt   -0.00000    0.01900    0.50997
 32 Pt    0.00000   -0.14465    0.57430
 33 O    -1.61418   -0.01894    0.07040
 34 O     1.61418   -0.01894    0.07040
 35 O     0.00000   -0.03245   -0.52480
 36 O    -0.00000    0.20813   -0.11203
 37 Pt    0.00000   -0.29480   -0.04037
 38 Pt    0.00000   -0.00429   -0.01061
 39 O     0.01013    0.01159    0.01609
 40 O    -0.01013    0.01159    0.01609
 41 O     0.00000   -0.00346   -0.00531
 42 O    -0.00000    0.03062   -0.01606
 43 Pt    0.00000   -0.00856    0.05877
 44 Pt    0.00000   -0.07390    0.00425
 45 O    -0.16776   -0.35454    0.12540
 46 O     0.16776   -0.35454    0.12540
 47 O     0.00000   -0.02138   -0.05200
 48 O    -0.00000    0.02222    1.17212
 49 Pt    0.00000   -0.02246   -0.37728
 50 Pt   -0.00000    0.02114   -0.43607
 51 O    -1.69163   -0.01397   -0.71826
 52 O     1.69163   -0.01397   -0.71826
 53 O     0.00000   -0.01230   -1.40501
 54 O     0.00000   -0.00199    1.77317
 55 Pt    0.00000   -0.01217    0.51569
 56 Pt   -0.00000    0.12592    0.65044
 57 O    -1.61385    0.01383    0.09168
 58 O     1.61385    0.01383    0.09168
 59 O     0.00000   -0.02118   -0.51634
 60 O     0.00000   -0.19837   -0.11156
 61 Pt   -0.00000    0.01161   -0.08794
 62 Pt   -0.00000    0.01719   -0.00674
 63 O    -0.01444   -0.00756    0.00329
 64 O     0.01444   -0.00756    0.00329
 65 O     0.00000   -0.00061    0.00030
 66 O     0.00000   -0.01103   -0.00281
 67 Pt   -0.00000    0.00836    0.02328
 68 Pt   -0.00000    0.15102    0.01358
 69 O    -0.00954   -0.00050   -0.02925
 70 O     0.00954   -0.00050   -0.02925
 71 O    -0.00000    0.00790   -0.04927
 72 N     0.00000   -0.77565   -0.13343
 73 N    -0.00000    0.72210    0.45046

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.393211   24.275668    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.361870   23.858797    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:42:20  -2.82   +inf  -414.161178    3      1      
iter:   2  21:44:30  -3.60  -3.27  -414.260415    3      1      
iter:   3  21:46:39  -4.03  -2.60  -414.164654    2      1      
iter:   4  21:48:44  -4.50  -3.55  -414.160638    3      1      
iter:   5  21:50:49  -4.77  -3.91  -414.160499    2      1      
iter:   6  21:52:52  -4.54  -4.00  -414.159726    3      1      
iter:   7  21:54:56  -5.02  -3.91  -414.159709    2      1      
iter:   8  21:57:01  -5.50  -4.44  -414.159829    2      1      
iter:   9  21:59:07  -5.90  -4.43  -414.159536    2      1      
iter:  10  22:01:15  -6.29  -4.39  -414.160001    2      1      
iter:  11  22:03:25  -6.60  -4.54  -414.159675    2      1      
iter:  12  22:05:37  -6.84  -4.64  -414.159786    2      1      
iter:  13  22:07:49  -7.09  -4.76  -414.159760    2      1      
iter:  14  22:09:37  -7.23  -4.80  -414.159759    2      1      
iter:  15  22:11:26  -7.46  -4.94  -414.159819    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962664, -32.573776, 0.054111) |e|*Ang

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

Kinetic:        +17.624676
Potential:     -136.470062
External:        +0.000000
XC:            -305.036862
Entropy (-ST):   -1.564734
Local:          +10.504797
--------------------------
Free energy:   -414.942186
Extrapolated:  -414.159819

Fermi level: -6.48932

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56023    0.14894
  0   340     -6.54376    0.14063
  0   341     -6.54261    0.14004
  0   342     -6.51324    0.12434

  1   339     -6.46422    0.19448
  1   340     -6.41557    0.14380
  1   341     -6.38057    0.11204
  1   342     -6.37180    0.10485



Forces in eV/Ang:
  0 O     0.00000   -0.01743    1.17397
  1 Pt    0.00000   -0.00209   -0.37552
  2 Pt    0.00000   -0.01906   -0.43507
  3 O    -1.68377    0.00020   -0.71895
  4 O     1.68377    0.00020   -0.71895
  5 O     0.00000   -0.01158   -1.38748
  6 O     0.00000   -0.00276    1.76578
  7 Pt   -0.00000    0.01416    0.45040
  8 Pt    0.00000   -0.04034    0.75485
  9 O    -1.58106    0.00060    0.05082
 10 O     1.58106    0.00060    0.05082
 11 O     0.00000   -0.00888   -0.56576
 12 O    -0.00000    0.00824    0.13302
 13 Pt   -0.00000    0.26405   -0.03870
 14 Pt    0.00000   -0.01947    0.00676
 15 O    -0.00072    0.01026    0.00349
 16 O     0.00072    0.01026    0.00349
 17 O    -0.00000    0.00301   -0.98216
 18 O    -0.00000    0.00198    0.02515
 19 Pt    0.00000   -0.02500    0.11739
 20 Pt    0.00000   -0.01946    0.14649
 21 O    -0.20704    0.37171    0.22178
 22 O     0.20704    0.37171    0.22178
 23 O     0.00000   -0.01741   -0.08337
 24 O     0.00000   -0.00092    1.14999
 25 Pt   -0.00000    0.01645   -0.37868
 26 Pt    0.00000   -0.00017   -0.43533
 27 O    -1.69234    0.01342   -0.71825
 28 O     1.69234    0.01342   -0.71825
 29 O    -0.00000    0.04680   -1.38808
 30 O     0.00000   -0.00453    1.83098
 31 Pt   -0.00000    0.01900    0.51015
 32 Pt    0.00000   -0.14449    0.57493
 33 O    -1.61423   -0.01896    0.07005
 34 O     1.61423   -0.01896    0.07005
 35 O     0.00000   -0.03247   -0.52449
 36 O    -0.00000    0.20852   -0.11319
 37 Pt    0.00000   -0.29516   -0.04134
 38 Pt    0.00000   -0.00423   -0.01138
 39 O     0.00967    0.01157    0.01549
 40 O    -0.00967    0.01157    0.01549
 41 O     0.00000   -0.00301   -0.00479
 42 O    -0.00000    0.03089   -0.01648
 43 Pt    0.00000   -0.00886    0.06316
 44 Pt    0.00000   -0.07291    0.00399
 45 O    -0.17155   -0.35666    0.13476
 46 O     0.17155   -0.35666    0.13476
 47 O     0.00000   -0.02167   -0.05065
 48 O    -0.00000    0.02222    1.17199
 49 Pt    0.00000   -0.02249   -0.37771
 50 Pt   -0.00000    0.02114   -0.43668
 51 O    -1.69160   -0.01393   -0.71855
 52 O     1.69160   -0.01393   -0.71855
 53 O     0.00000   -0.01227   -1.40514
 54 O     0.00000   -0.00197    1.77316
 55 Pt    0.00000   -0.01231    0.51578
 56 Pt   -0.00000    0.12583    0.65083
 57 O    -1.61388    0.01371    0.09126
 58 O     1.61388    0.01371    0.09126
 59 O     0.00000   -0.02117   -0.51626
 60 O     0.00000   -0.19879   -0.11199
 61 Pt   -0.00000    0.01173   -0.08850
 62 Pt   -0.00000    0.01709   -0.00682
 63 O    -0.01473   -0.00758    0.00275
 64 O     0.01473   -0.00758    0.00275
 65 O     0.00000   -0.00071    0.00064
 66 O     0.00000   -0.01111   -0.00325
 67 Pt   -0.00000    0.00868    0.02516
 68 Pt   -0.00000    0.15121    0.01620
 69 O    -0.00981   -0.00095   -0.02815
 70 O     0.00981   -0.00095   -0.02815
 71 O    -0.00000    0.00807   -0.04810
 72 N     0.00000   -0.91393   -0.17079
 73 N    -0.00000    0.75689    0.56021

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.385244   24.301175    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.358245   23.872933    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:17:57  -2.81   +inf  -414.167574    3      1      
iter:   2  22:20:07  -3.65  -3.33  -414.243925    3      1      
iter:   3  22:22:17  -4.11  -2.65  -414.170351    2      1      
iter:   4  22:24:29  -4.62  -3.63  -414.167273    3      1      
iter:   5  22:26:40  -4.86  -3.94  -414.167107    2      1      
iter:   6  22:28:50  -4.63  -4.21  -414.166561    3      1      
iter:   7  22:31:01  -5.15  -3.95  -414.166643    2      1      
iter:   8  22:33:12  -5.60  -4.49  -414.166684    2      1      
iter:   9  22:35:23  -6.08  -4.29  -414.166448    2      1      
iter:  10  22:37:34  -6.39  -4.39  -414.166832    2      1      
iter:  11  22:39:45  -6.69  -4.58  -414.166540    2      1      
iter:  12  22:41:57  -6.89  -4.73  -414.166632    2      1      
iter:  13  22:44:09  -7.07  -4.79  -414.166582    2      1      
iter:  14  22:46:21  -7.32  -4.90  -414.166618    1      1      
iter:  15  22:48:31  -7.54  -4.70  -414.166648    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962708, -32.573478, 0.052693) |e|*Ang

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

Kinetic:        +17.520429
Potential:     -136.401186
External:        +0.000000
XC:            -305.008516
Entropy (-ST):   -1.564806
Local:          +10.505029
--------------------------
Free energy:   -414.949051
Extrapolated:  -414.166648

Fermi level: -6.49047

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56121    0.14885
  0   340     -6.54492    0.14063
  0   341     -6.54379    0.14005
  0   342     -6.51452    0.12440

  1   339     -6.46539    0.19449
  1   340     -6.41671    0.14379
  1   341     -6.38161    0.11195
  1   342     -6.37343    0.10524



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17381
  1 Pt    0.00000   -0.00207   -0.37562
  2 Pt    0.00000   -0.01908   -0.43527
  3 O    -1.68349    0.00020   -0.71908
  4 O     1.68349    0.00020   -0.71908
  5 O     0.00000   -0.01157   -1.38762
  6 O     0.00000   -0.00280    1.76639
  7 Pt   -0.00000    0.01421    0.45055
  8 Pt    0.00000   -0.04046    0.75484
  9 O    -1.58117    0.00065    0.05069
 10 O     1.58117    0.00065    0.05069
 11 O     0.00000   -0.00890   -0.56595
 12 O    -0.00000    0.00798    0.13261
 13 Pt   -0.00000    0.26519   -0.03862
 14 Pt    0.00000   -0.01958    0.00654
 15 O    -0.00084    0.01038    0.00338
 16 O     0.00084    0.01038    0.00338
 17 O    -0.00000    0.00323   -0.98512
 18 O    -0.00000    0.00197    0.02511
 19 Pt    0.00000   -0.02491    0.11866
 20 Pt    0.00000   -0.02131    0.14656
 21 O    -0.20749    0.37288    0.22298
 22 O     0.20749    0.37288    0.22298
 23 O     0.00000   -0.01730   -0.08278
 24 O     0.00000   -0.00088    1.14981
 25 Pt   -0.00000    0.01649   -0.37874
 26 Pt    0.00000   -0.00014   -0.43557
 27 O    -1.69206    0.01342   -0.71840
 28 O     1.69206    0.01342   -0.71840
 29 O    -0.00000    0.04674   -1.38835
 30 O     0.00000   -0.00448    1.83154
 31 Pt   -0.00000    0.01899    0.51032
 32 Pt    0.00000   -0.14424    0.57525
 33 O    -1.61432   -0.01897    0.06990
 34 O     1.61432   -0.01897    0.06990
 35 O     0.00000   -0.03244   -0.52466
 36 O    -0.00000    0.20933   -0.11405
 37 Pt    0.00000   -0.29602   -0.04130
 38 Pt    0.00000   -0.00408   -0.01162
 39 O     0.00959    0.01151    0.01544
 40 O    -0.00959    0.01151    0.01544
 41 O     0.00000   -0.00251   -0.00510
 42 O    -0.00000    0.03110   -0.01659
 43 Pt    0.00000   -0.00898    0.06656
 44 Pt    0.00000   -0.07280    0.00517
 45 O    -0.17432   -0.35871    0.14243
 46 O     0.17432   -0.35871    0.14243
 47 O     0.00000   -0.02184   -0.05003
 48 O    -0.00000    0.02222    1.17182
 49 Pt    0.00000   -0.02254   -0.37782
 50 Pt   -0.00000    0.02113   -0.43697
 51 O    -1.69134   -0.01394   -0.71868
 52 O     1.69134   -0.01394   -0.71868
 53 O     0.00000   -0.01223   -1.40534
 54 O     0.00000   -0.00198    1.77370
 55 Pt    0.00000   -0.01234    0.51595
 56 Pt   -0.00000    0.12570    0.65113
 57 O    -1.61397    0.01367    0.09111
 58 O     1.61397    0.01367    0.09111
 59 O     0.00000   -0.02118   -0.51637
 60 O     0.00000   -0.19929   -0.11276
 61 Pt   -0.00000    0.01141   -0.08873
 62 Pt   -0.00000    0.01703   -0.00696
 63 O    -0.01485   -0.00763    0.00265
 64 O     0.01485   -0.00763    0.00265
 65 O     0.00000   -0.00078    0.00060
 66 O     0.00000   -0.01126   -0.00343
 67 Pt   -0.00000    0.00876    0.02580
 68 Pt   -0.00000    0.15157    0.01753
 69 O    -0.00973   -0.00127   -0.02738
 70 O     0.00973   -0.00127   -0.02738
 71 O    -0.00000    0.00810   -0.04762
 72 N     0.00000   -0.98743   -0.17070
 73 N    -0.00000    0.82520    0.57729

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.376920   24.327341    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.354419   23.887607    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:57:04  -2.78   +inf  -414.173414    3      1      
iter:   2  22:59:15  -3.68  -3.58  -414.189570    3      1      
iter:   3  23:01:25  -4.20  -3.00  -414.176507    2      1      
iter:   4  23:03:37  -4.67  -3.67  -414.174236    3      1      
iter:   5  23:05:47  -4.84  -3.92  -414.174720    2      1      
iter:   6  23:07:58  -4.64  -4.17  -414.173842    3      1      
iter:   7  23:10:09  -5.14  -4.08  -414.174048    2      1      
iter:   8  23:12:19  -5.55  -4.52  -414.173970    2      1      
iter:   9  23:14:30  -6.08  -4.33  -414.174002    2      1      
iter:  10  23:16:41  -6.45  -4.42  -414.174203    2      1      
iter:  11  23:18:52  -6.65  -4.52  -414.173797    2      1      
iter:  12  23:21:03  -6.91  -4.66  -414.173992    2      1      
iter:  13  23:23:15  -7.20  -4.79  -414.173930    2      1      
iter:  14  23:25:26  -7.30  -4.92  -414.173979    2      1      
iter:  15  23:27:36  -7.49  -4.84  -414.173948    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962729, -32.573390, 0.052045) |e|*Ang

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

Kinetic:        +17.439317
Potential:     -136.354120
External:        +0.000000
XC:            -304.980760
Entropy (-ST):   -1.564939
Local:          +10.504086
--------------------------
Free energy:   -414.956417
Extrapolated:  -414.173948

Fermi level: -6.49106

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56181    0.14885
  0   340     -6.54539    0.14057
  0   341     -6.54426    0.13999
  0   342     -6.51529    0.12451

  1   339     -6.46594    0.19445
  1   340     -6.41719    0.14368
  1   341     -6.38209    0.11185
  1   342     -6.37454    0.10565



Forces in eV/Ang:
  0 O     0.00000   -0.01748    1.17401
  1 Pt    0.00000   -0.00208   -0.37533
  2 Pt    0.00000   -0.01906   -0.43478
  3 O    -1.68387    0.00022   -0.71875
  4 O     1.68387    0.00022   -0.71875
  5 O     0.00000   -0.01156   -1.38743
  6 O     0.00000   -0.00291    1.76503
  7 Pt   -0.00000    0.01426    0.45038
  8 Pt    0.00000   -0.04063    0.75501
  9 O    -1.58142    0.00066    0.05096
 10 O     1.58142    0.00066    0.05096
 11 O     0.00000   -0.00892   -0.56597
 12 O    -0.00000    0.00809    0.13259
 13 Pt   -0.00000    0.26613   -0.03939
 14 Pt    0.00000   -0.01952    0.00586
 15 O    -0.00073    0.01051    0.00335
 16 O     0.00073    0.01051    0.00335
 17 O    -0.00000    0.00334   -0.99121
 18 O    -0.00000    0.00179    0.02543
 19 Pt    0.00000   -0.02470    0.11805
 20 Pt    0.00000   -0.02178    0.14767
 21 O    -0.20748    0.37379    0.22334
 22 O     0.20748    0.37379    0.22334
 23 O     0.00000   -0.01697   -0.08315
 24 O     0.00000   -0.00086    1.15000
 25 Pt   -0.00000    0.01653   -0.37848
 26 Pt    0.00000   -0.00014   -0.43507
 27 O    -1.69247    0.01341   -0.71809
 28 O     1.69247    0.01341   -0.71809
 29 O    -0.00000    0.04670   -1.38826
 30 O     0.00000   -0.00435    1.83017
 31 Pt   -0.00000    0.01897    0.51028
 32 Pt    0.00000   -0.14391    0.57571
 33 O    -1.61449   -0.01898    0.07018
 34 O     1.61449   -0.01898    0.07018
 35 O     0.00000   -0.03240   -0.52469
 36 O    -0.00000    0.20981   -0.11460
 37 Pt    0.00000   -0.29698   -0.04255
 38 Pt    0.00000   -0.00414   -0.01230
 39 O     0.00960    0.01147    0.01535
 40 O    -0.00960    0.01147    0.01535
 41 O     0.00000   -0.00200   -0.00816
 42 O    -0.00000    0.03150   -0.01644
 43 Pt    0.00000   -0.00912    0.06896
 44 Pt    0.00000   -0.07351    0.00701
 45 O    -0.17751   -0.36073    0.15021
 46 O     0.17751   -0.36073    0.15021
 47 O     0.00000   -0.02208   -0.05005
 48 O    -0.00000    0.02222    1.17203
 49 Pt    0.00000   -0.02257   -0.37752
 50 Pt   -0.00000    0.02112   -0.43643
 51 O    -1.69172   -0.01395   -0.71834
 52 O     1.69172   -0.01395   -0.71834
 53 O     0.00000   -0.01220   -1.40505
 54 O     0.00000   -0.00201    1.77257
 55 Pt    0.00000   -0.01237    0.51575
 56 Pt   -0.00000    0.12555    0.65133
 57 O    -1.61422    0.01368    0.09135
 58 O     1.61422    0.01368    0.09135
 59 O     0.00000   -0.02120   -0.51651
 60 O     0.00000   -0.19986   -0.11294
 61 Pt   -0.00000    0.01140   -0.08972
 62 Pt   -0.00000    0.01703   -0.00744
 63 O    -0.01475   -0.00772    0.00264
 64 O     0.01475   -0.00772    0.00264
 65 O     0.00000   -0.00077   -0.00146
 66 O     0.00000   -0.01141   -0.00334
 67 Pt   -0.00000    0.00875    0.02497
 68 Pt   -0.00000    0.15144    0.01652
 69 O    -0.00950   -0.00152   -0.02742
 70 O     0.00950   -0.00152   -0.02742
 71 O    -0.00000    0.00798   -0.04797
 72 N     0.00000   -1.03376   -0.24374
 73 N    -0.00000    0.87871    0.62453

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.368488   24.352873    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.350404   23.902451    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:32:14  -2.80   +inf  -414.203131    3      1      
iter:   2  23:34:24  -3.36  -2.93  -414.786357    3      1      
iter:   3  23:36:36  -3.72  -2.21  -414.182151    3      1      
iter:   4  23:38:48  -4.43  -3.71  -414.183151    3      1      
iter:   5  23:40:57  -4.83  -3.90  -414.180839    3      1      
iter:   6  23:43:09  -4.65  -3.88  -414.180224    3      1      
iter:   7  23:45:22  -4.93  -3.96  -414.181154    3      1      
iter:   8  23:47:36  -5.34  -4.42  -414.180877    3      1      
iter:   9  23:49:45  -5.98  -4.21  -414.181011    2      1      
iter:  10  23:51:55  -6.45  -4.32  -414.181157    2      1      
iter:  11  23:54:06  -6.58  -4.54  -414.180654    2      1      
iter:  12  23:56:19  -6.66  -4.53  -414.181003    2      1      
iter:  13  23:58:29  -6.82  -4.70  -414.180983    2      1      
iter:  14  00:00:39  -7.15  -4.85  -414.180998    2      1      
iter:  15  00:02:51  -7.52  -4.82  -414.180937    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962749, -32.573255, 0.052136) |e|*Ang

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

Kinetic:        +17.349362
Potential:     -136.295087
External:        +0.000000
XC:            -304.956149
Entropy (-ST):   -1.564910
Local:          +10.503392
--------------------------
Free energy:   -414.963392
Extrapolated:  -414.180937

Fermi level: -6.49194

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56309    0.14905
  0   340     -6.54589    0.14037
  0   341     -6.54468    0.13975
  0   342     -6.51644    0.12465

  1   339     -6.46646    0.19406
  1   340     -6.41779    0.14341
  1   341     -6.38279    0.11170
  1   342     -6.37594    0.10607



Forces in eV/Ang:
  0 O     0.00000   -0.01748    1.17431
  1 Pt    0.00000   -0.00212   -0.37670
  2 Pt    0.00000   -0.01906   -0.43543
  3 O    -1.68624    0.00020   -0.71869
  4 O     1.68624    0.00020   -0.71869
  5 O     0.00000   -0.01137   -1.38660
  6 O     0.00000   -0.00248    1.75637
  7 Pt   -0.00000    0.01386    0.44691
  8 Pt    0.00000   -0.04062    0.75250
  9 O    -1.58118    0.00038    0.04985
 10 O     1.58118    0.00038    0.04985
 11 O     0.00000   -0.00888   -0.56746
 12 O    -0.00000    0.00721    0.13269
 13 Pt   -0.00000    0.26832   -0.04118
 14 Pt    0.00000   -0.02000    0.00551
 15 O     0.00037    0.01030    0.00239
 16 O    -0.00037    0.01030    0.00239
 17 O    -0.00000    0.00431   -1.00212
 18 O    -0.00000    0.00203    0.02614
 19 Pt    0.00000   -0.02422    0.11793
 20 Pt    0.00000   -0.02627    0.14211
 21 O    -0.20766    0.37439    0.22340
 22 O     0.20766    0.37439    0.22340
 23 O     0.00000   -0.01797   -0.08301
 24 O     0.00000   -0.00091    1.15032
 25 Pt   -0.00000    0.01661   -0.37966
 26 Pt    0.00000   -0.00018   -0.43573
 27 O    -1.69476    0.01341   -0.71798
 28 O     1.69476    0.01341   -0.71798
 29 O    -0.00000    0.04645   -1.38755
 30 O     0.00000   -0.00482    1.82157
 31 Pt   -0.00000    0.01900    0.50621
 32 Pt    0.00000   -0.14369    0.57336
 33 O    -1.61433   -0.01888    0.06895
 34 O     1.61433   -0.01888    0.06895
 35 O     0.00000   -0.03249   -0.52635
 36 O    -0.00000    0.21139   -0.11543
 37 Pt    0.00000   -0.29811   -0.04314
 38 Pt    0.00000   -0.00372   -0.01240
 39 O     0.01162    0.01158    0.01467
 40 O    -0.01162    0.01158    0.01467
 41 O     0.00000   -0.00270   -0.01521
 42 O    -0.00000    0.03156   -0.01580
 43 Pt    0.00000   -0.00881    0.06783
 44 Pt    0.00000   -0.07139    0.00153
 45 O    -0.17668   -0.36178    0.15368
 46 O     0.17668   -0.36178    0.15368
 47 O     0.00000   -0.02146   -0.05047
 48 O    -0.00000    0.02226    1.17226
 49 Pt    0.00000   -0.02261   -0.37884
 50 Pt   -0.00000    0.02115   -0.43721
 51 O    -1.69408   -0.01393   -0.71827
 52 O     1.69408   -0.01393   -0.71827
 53 O     0.00000   -0.01214   -1.40449
 54 O     0.00000   -0.00198    1.76420
 55 Pt    0.00000   -0.01199    0.51222
 56 Pt   -0.00000    0.12535    0.64946
 57 O    -1.61409    0.01385    0.09016
 58 O     1.61409    0.01385    0.09016
 59 O     0.00000   -0.02115   -0.51730
 60 O     0.00000   -0.20052   -0.11508
 61 Pt   -0.00000    0.01028   -0.09180
 62 Pt   -0.00000    0.01709   -0.00946
 63 O    -0.01392   -0.00758    0.00167
 64 O     0.01392   -0.00758    0.00167
 65 O     0.00000   -0.00036   -0.00848
 66 O     0.00000   -0.01165   -0.00269
 67 Pt   -0.00000    0.00815    0.02372
 68 Pt   -0.00000    0.15224    0.01624
 69 O    -0.00850   -0.00189   -0.02786
 70 O     0.00850   -0.00189   -0.02786
 71 O    -0.00000    0.00826   -0.04717
 72 N     0.00000   -1.00227   -0.24269
 73 N    -0.00000    0.92717    0.55265

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.359945   24.378069    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.346785   23.916680    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:13:21  -2.78   +inf  -414.517574    3      1      
iter:   2  00:15:29  -2.40  -2.34  -422.240757    4      1      
iter:   3  00:17:40  -2.82  -1.72  -414.274769    4      1      
iter:   4  00:19:52  -3.27  -2.64  -414.197395    3      1      
iter:   5  00:22:03  -3.90  -3.36  -414.189743    3      1      
iter:   6  00:24:14  -4.36  -3.49  -414.188059    3      1      
iter:   7  00:26:24  -4.61  -3.53  -414.186697    2      1      
iter:   8  00:28:35  -4.88  -4.07  -414.187529    3      1      
iter:   9  00:30:48  -5.21  -3.87  -414.186375    2      1      
iter:  10  00:33:00  -5.60  -4.10  -414.186526    2      1      
iter:  11  00:35:11  -6.11  -4.38  -414.185900    2      1      
iter:  12  00:37:23  -6.51  -4.32  -414.186521    2      1      
iter:  13  00:39:34  -6.70  -4.49  -414.186276    2      1      
iter:  14  00:41:46  -6.74  -4.63  -414.186230    2      1      
iter:  15  00:43:34  -7.34  -4.48  -414.186296    2      1      
iter:  16  00:45:23  -7.47  -4.80  -414.186289    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962644, -32.573182, 0.050304) |e|*Ang

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

Kinetic:        +17.386221
Potential:     -136.351856
External:        +0.000000
XC:            -304.941730
Entropy (-ST):   -1.564942
Local:          +10.503546
--------------------------
Free energy:   -414.968760
Extrapolated:  -414.186289

Fermi level: -6.49279

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56332    0.14875
  0   340     -6.54697    0.14050
  0   341     -6.54584    0.13991
  0   342     -6.51721    0.12461

  1   339     -6.46750    0.19427
  1   340     -6.41884    0.14361
  1   341     -6.38356    0.11163
  1   342     -6.37710    0.10632



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17457
  1 Pt    0.00000   -0.00215   -0.37654
  2 Pt    0.00000   -0.01905   -0.43513
  3 O    -1.68441    0.00021   -0.71865
  4 O     1.68441    0.00021   -0.71865
  5 O     0.00000   -0.01141   -1.38746
  6 O     0.00000   -0.00267    1.76249
  7 Pt   -0.00000    0.01401    0.44931
  8 Pt    0.00000   -0.04073    0.75541
  9 O    -1.58102    0.00052    0.05035
 10 O     1.58102    0.00052    0.05035
 11 O     0.00000   -0.00889   -0.56675
 12 O    -0.00000    0.00787    0.13178
 13 Pt   -0.00000    0.26813   -0.03952
 14 Pt    0.00000   -0.01981    0.00572
 15 O    -0.00008    0.01037    0.00270
 16 O     0.00008    0.01037    0.00270
 17 O    -0.00000    0.00400   -1.00036
 18 O    -0.00000    0.00173    0.02648
 19 Pt    0.00000   -0.02394    0.11870
 20 Pt    0.00000   -0.02481    0.14696
 21 O    -0.20787    0.37590    0.22505
 22 O     0.20787    0.37590    0.22505
 23 O     0.00000   -0.01725   -0.08412
 24 O     0.00000   -0.00088    1.15057
 25 Pt   -0.00000    0.01663   -0.37955
 26 Pt    0.00000   -0.00018   -0.43540
 27 O    -1.69296    0.01340   -0.71796
 28 O     1.69296    0.01340   -0.71796
 29 O    -0.00000    0.04644   -1.38849
 30 O     0.00000   -0.00458    1.82780
 31 Pt   -0.00000    0.01903    0.50896
 32 Pt    0.00000   -0.14346    0.57652
 33 O    -1.61406   -0.01896    0.06950
 34 O     1.61406   -0.01896    0.06950
 35 O     0.00000   -0.03245   -0.52539
 36 O    -0.00000    0.21092   -0.11638
 37 Pt    0.00000   -0.29867   -0.04280
 38 Pt    0.00000   -0.00395   -0.01266
 39 O     0.01071    0.01156    0.01480
 40 O    -0.01071    0.01156    0.01480
 41 O     0.00000   -0.00165   -0.00871
 42 O    -0.00000    0.03155   -0.01565
 43 Pt    0.00000   -0.00944    0.07312
 44 Pt    0.00000   -0.07381    0.00765
 45 O    -0.18172   -0.36459    0.16314
 46 O     0.18172   -0.36459    0.16314
 47 O     0.00000   -0.02227   -0.05053
 48 O    -0.00000    0.02222    1.17255
 49 Pt    0.00000   -0.02260   -0.37869
 50 Pt   -0.00000    0.02115   -0.43688
 51 O    -1.69224   -0.01393   -0.71823
 52 O     1.69224   -0.01393   -0.71823
 53 O     0.00000   -0.01210   -1.40516
 54 O     0.00000   -0.00202    1.77035
 55 Pt    0.00000   -0.01218    0.51468
 56 Pt   -0.00000    0.12523    0.65207
 57 O    -1.61386    0.01380    0.09064
 58 O     1.61386    0.01380    0.09064
 59 O     0.00000   -0.02120   -0.51672
 60 O     0.00000   -0.20072   -0.11473
 61 Pt   -0.00000    0.01096   -0.09002
 62 Pt   -0.00000    0.01712   -0.00860
 63 O    -0.01431   -0.00765    0.00193
 64 O     0.01431   -0.00765    0.00193
 65 O     0.00000   -0.00045   -0.00169
 66 O     0.00000   -0.01131   -0.00270
 67 Pt   -0.00000    0.00847    0.02480
 68 Pt   -0.00000    0.15200    0.01605
 69 O    -0.00947   -0.00212   -0.02694
 70 O     0.00947   -0.00212   -0.02694
 71 O    -0.00000    0.00828   -0.04823
 72 N     0.00000   -0.99991   -0.30967
 73 N    -0.00000    0.98438    0.52573

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.351407   24.402702    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.343398   23.930677    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:51:22  -2.81   +inf  -414.253328    3      1      
iter:   2  00:53:28  -3.04  -2.71  -415.922220    3      1      
iter:   3  00:55:37  -3.36  -2.00  -414.194851    3      1      
iter:   4  00:57:48  -4.08  -3.48  -414.195225    3      1      
iter:   5  01:00:00  -4.55  -3.75  -414.192369    3      1      
iter:   6  01:02:10  -4.73  -3.80  -414.191405    2      1      
iter:   7  01:04:20  -4.84  -3.95  -414.191038    3      1      
iter:   8  01:06:32  -5.08  -4.07  -414.191717    3      1      
iter:   9  01:08:43  -5.76  -4.41  -414.191765    2      1      
iter:  10  01:10:48  -6.35  -4.48  -414.191427    2      1      
iter:  11  01:12:56  -6.76  -4.43  -414.192072    2      1      
iter:  12  01:15:05  -6.87  -4.41  -414.191673    2      1      
iter:  13  01:17:15  -7.01  -4.68  -414.191759    2      1      
iter:  14  01:19:24  -7.15  -4.71  -414.191742    2      1      
iter:  15  01:21:35  -7.56  -4.87  -414.191715    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962820, -32.572858, 0.048778) |e|*Ang

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

Kinetic:        +17.286645
Potential:     -136.267885
External:        +0.000000
XC:            -304.932133
Entropy (-ST):   -1.564914
Local:          +10.504114
--------------------------
Free energy:   -414.974172
Extrapolated:  -414.191715

Fermi level: -6.49414

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56446    0.14864
  0   340     -6.54840    0.14054
  0   341     -6.54728    0.13996
  0   342     -6.51867    0.12467

  1   339     -6.46883    0.19425
  1   340     -6.42023    0.14365
  1   341     -6.38486    0.11160
  1   342     -6.37884    0.10665



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17388
  1 Pt    0.00000   -0.00214   -0.37659
  2 Pt    0.00000   -0.01906   -0.43482
  3 O    -1.68459    0.00022   -0.71870
  4 O     1.68459    0.00022   -0.71870
  5 O     0.00000   -0.01138   -1.38716
  6 O     0.00000   -0.00269    1.76322
  7 Pt   -0.00000    0.01404    0.44887
  8 Pt    0.00000   -0.04084    0.75479
  9 O    -1.58082    0.00055    0.04984
 10 O     1.58082    0.00055    0.04984
 11 O     0.00000   -0.00888   -0.56764
 12 O    -0.00000    0.00759    0.13225
 13 Pt   -0.00000    0.26938   -0.03972
 14 Pt    0.00000   -0.01982    0.00647
 15 O     0.00044    0.01050    0.00236
 16 O    -0.00044    0.01050    0.00236
 17 O    -0.00000    0.00432   -1.00402
 18 O    -0.00000    0.00174    0.02525
 19 Pt    0.00000   -0.02403    0.12046
 20 Pt    0.00000   -0.02757    0.14532
 21 O    -0.20930    0.37673    0.22572
 22 O     0.20930    0.37673    0.22572
 23 O     0.00000   -0.01748   -0.08271
 24 O     0.00000   -0.00086    1.14986
 25 Pt   -0.00000    0.01666   -0.37958
 26 Pt    0.00000   -0.00016   -0.43509
 27 O    -1.69314    0.01340   -0.71801
 28 O     1.69314    0.01340   -0.71801
 29 O    -0.00000    0.04636   -1.38827
 30 O     0.00000   -0.00455    1.82855
 31 Pt   -0.00000    0.01904    0.50853
 32 Pt    0.00000   -0.14320    0.57621
 33 O    -1.61384   -0.01895    0.06901
 34 O     1.61384   -0.01895    0.06901
 35 O     0.00000   -0.03244   -0.52631
 36 O    -0.00000    0.21198   -0.11657
 37 Pt    0.00000   -0.29975   -0.04302
 38 Pt    0.00000   -0.00384   -0.01195
 39 O     0.01125    0.01150    0.01454
 40 O    -0.01125    0.01150    0.01454
 41 O     0.00000   -0.00122   -0.00891
 42 O    -0.00000    0.03177   -0.01694
 43 Pt    0.00000   -0.00940    0.07532
 44 Pt    0.00000   -0.07362    0.00674
 45 O    -0.18421   -0.36633    0.16753
 46 O     0.18421   -0.36633    0.16753
 47 O     0.00000   -0.02237   -0.04948
 48 O    -0.00000    0.02226    1.17184
 49 Pt    0.00000   -0.02264   -0.37877
 50 Pt   -0.00000    0.02113   -0.43662
 51 O    -1.69244   -0.01393   -0.71827
 52 O     1.69244   -0.01393   -0.71827
 53 O     0.00000   -0.01206   -1.40494
 54 O     0.00000   -0.00203    1.77108
 55 Pt    0.00000   -0.01221    0.51426
 56 Pt   -0.00000    0.12509    0.65171
 57 O    -1.61363    0.01375    0.09012
 58 O     1.61363    0.01375    0.09012
 59 O     0.00000   -0.02121   -0.51765
 60 O     0.00000   -0.20145   -0.11496
 61 Pt   -0.00000    0.01075   -0.09070
 62 Pt   -0.00000    0.01704   -0.00782
 63 O    -0.01377   -0.00771    0.00158
 64 O     0.01377   -0.00771    0.00158
 65 O     0.00000   -0.00067   -0.00147
 66 O     0.00000   -0.01151   -0.00403
 67 Pt   -0.00000    0.00861    0.02559
 68 Pt   -0.00000    0.15297    0.01834
 69 O    -0.00996   -0.00222   -0.02645
 70 O     0.00996   -0.00222   -0.02645
 71 O    -0.00000    0.00862   -0.04695
 72 N     0.00000   -1.03446   -0.28272
 73 N    -0.00000    0.85288    0.62729

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.340908   24.425547    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.338062   23.947360    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:29:17  -2.79   +inf  -414.266486    3      1      
iter:   2  01:31:23  -3.03  -2.70  -415.988796    3      1      
iter:   3  01:33:31  -3.38  -1.99  -414.201983    3      1      
iter:   4  01:35:42  -4.10  -3.39  -414.204303    3      1      
iter:   5  01:37:52  -4.65  -3.66  -414.201020    3      1      
iter:   6  01:40:02  -4.74  -3.78  -414.199122    3      1      
iter:   7  01:42:13  -4.86  -3.90  -414.199146    3      1      
iter:   8  01:44:25  -5.05  -4.14  -414.199560    3      1      
iter:   9  01:46:35  -5.71  -4.27  -414.199726    2      1      
iter:  10  01:48:46  -6.32  -4.23  -414.199653    2      1      
iter:  11  01:50:56  -6.47  -4.49  -414.199600    2      1      
iter:  12  01:53:06  -6.58  -4.58  -414.199714    2      1      
iter:  13  01:55:19  -6.92  -4.71  -414.199454    2      1      
iter:  14  01:57:29  -7.29  -4.81  -414.199668    2      1      
iter:  15  01:59:39  -7.44  -4.81  -414.199524    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962831, -32.572903, 0.049161) |e|*Ang

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

Kinetic:        +17.583613
Potential:     -136.524258
External:        +0.000000
XC:            -304.980251
Entropy (-ST):   -1.565053
Local:          +10.503898
--------------------------
Free energy:   -414.982050
Extrapolated:  -414.199524

Fermi level: -6.49425

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56479    0.14875
  0   340     -6.54822    0.14038
  0   341     -6.54707    0.13979
  0   342     -6.51901    0.12480

  1   339     -6.46878    0.19407
  1   340     -6.42012    0.14343
  1   341     -6.38485    0.11149
  1   342     -6.37945    0.10705



Forces in eV/Ang:
  0 O     0.00000   -0.01755    1.17427
  1 Pt    0.00000   -0.00217   -0.37735
  2 Pt    0.00000   -0.01907   -0.43589
  3 O    -1.68573    0.00021   -0.71885
  4 O     1.68573    0.00021   -0.71885
  5 O     0.00000   -0.01133   -1.38671
  6 O     0.00000   -0.00267    1.75889
  7 Pt   -0.00000    0.01403    0.44802
  8 Pt    0.00000   -0.04086    0.75460
  9 O    -1.58104    0.00054    0.05046
 10 O     1.58104    0.00054    0.05046
 11 O     0.00000   -0.00886   -0.56728
 12 O    -0.00000    0.00779    0.13245
 13 Pt   -0.00000    0.27040   -0.04149
 14 Pt    0.00000   -0.01996    0.00494
 15 O     0.00047    0.01047    0.00240
 16 O    -0.00047    0.01047    0.00240
 17 O    -0.00000    0.00462   -1.01330
 18 O    -0.00000    0.00153    0.02654
 19 Pt    0.00000   -0.02379    0.12163
 20 Pt    0.00000   -0.02847    0.15030
 21 O    -0.20829    0.37744    0.22822
 22 O     0.20829    0.37744    0.22822
 23 O     0.00000   -0.01666   -0.08322
 24 O     0.00000   -0.00084    1.15023
 25 Pt   -0.00000    0.01671   -0.38029
 26 Pt    0.00000   -0.00015   -0.43619
 27 O    -1.69426    0.01340   -0.71818
 28 O     1.69426    0.01340   -0.71818
 29 O    -0.00000    0.04626   -1.38792
 30 O     0.00000   -0.00458    1.82420
 31 Pt   -0.00000    0.01901    0.50771
 32 Pt    0.00000   -0.14295    0.57630
 33 O    -1.61405   -0.01898    0.06964
 34 O     1.61405   -0.01898    0.06964
 35 O     0.00000   -0.03245   -0.52591
 36 O    -0.00000    0.21235   -0.11686
 37 Pt    0.00000   -0.30098   -0.04535
 38 Pt    0.00000   -0.00371   -0.01349
 39 O     0.01136    0.01153    0.01442
 40 O    -0.01136    0.01153    0.01442
 41 O     0.00000   -0.00066   -0.01379
 42 O    -0.00000    0.03210   -0.01586
 43 Pt    0.00000   -0.00933    0.08017
 44 Pt    0.00000   -0.07518    0.01491
 45 O    -0.18633   -0.36808    0.17745
 46 O     0.18633   -0.36808    0.17745
 47 O     0.00000   -0.02314   -0.04908
 48 O    -0.00000    0.02227    1.17222
 49 Pt    0.00000   -0.02265   -0.37951
 50 Pt   -0.00000    0.02113   -0.43775
 51 O    -1.69358   -0.01393   -0.71842
 52 O     1.69358   -0.01393   -0.71842
 53 O     0.00000   -0.01202   -1.40447
 54 O     0.00000   -0.00203    1.76678
 55 Pt    0.00000   -0.01217    0.51340
 56 Pt   -0.00000    0.12488    0.65169
 57 O    -1.61388    0.01378    0.09070
 58 O     1.61388    0.01378    0.09070
 59 O     0.00000   -0.02121   -0.51718
 60 O     0.00000   -0.20199   -0.11491
 61 Pt   -0.00000    0.01077   -0.09256
 62 Pt   -0.00000    0.01705   -0.00924
 63 O    -0.01377   -0.00770    0.00168
 64 O     0.01377   -0.00770    0.00168
 65 O     0.00000   -0.00054   -0.00621
 66 O     0.00000   -0.01156   -0.00291
 67 Pt   -0.00000    0.00843    0.02708
 68 Pt   -0.00000    0.15276    0.02072
 69 O    -0.00873   -0.00262   -0.02395
 70 O     0.00873   -0.00262   -0.02395
 71 O    -0.00000    0.00854   -0.04691
 72 N     0.00000   -0.65763   -0.26898
 73 N    -0.00000    0.69320    0.42280

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.330528   24.446797    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.332973   23.962562    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:08:11  -2.83   +inf  -414.506937    3      1      
iter:   2  02:10:23  -2.44  -2.37  -421.535020    3      1      
iter:   3  02:12:34  -2.86  -1.73  -414.267077    4      1      
iter:   4  02:14:45  -3.34  -2.72  -414.216599    3      1      
iter:   5  02:16:54  -4.00  -3.33  -414.208628    3      1      
iter:   6  02:19:04  -4.42  -3.47  -414.206611    3      1      
iter:   7  02:21:15  -4.63  -3.51  -414.205008    2      1      
iter:   8  02:23:28  -5.01  -4.03  -414.205637    3      1      
iter:   9  02:25:39  -5.11  -4.03  -414.204861    3      1      
iter:  10  02:27:50  -5.51  -4.13  -414.204992    3      1      
iter:  11  02:29:59  -6.16  -4.40  -414.204506    2      1      
iter:  12  02:32:09  -6.56  -4.39  -414.205014    2      1      
iter:  13  02:34:21  -6.71  -4.46  -414.204758    2      1      
iter:  14  02:36:31  -6.74  -4.59  -414.204680    2      1      
iter:  15  02:38:42  -7.11  -4.46  -414.204737    2      1      
iter:  16  02:40:53  -7.28  -4.70  -414.204722    2      1      
iter:  17  02:43:05  -7.37  -4.75  -414.204756    2      1      
iter:  18  02:44:55  -7.86  -5.16  -414.204706    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962939, -32.571983, 0.046269) |e|*Ang

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

Kinetic:        +17.892616
Potential:     -136.783571
External:        +0.000000
XC:            -305.037314
Entropy (-ST):   -1.565080
Local:          +10.506103
--------------------------
Free energy:   -414.987246
Extrapolated:  -414.204706

Fermi level: -6.49564

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56554    0.14844
  0   340     -6.55004    0.14061
  0   341     -6.54899    0.14006
  0   342     -6.52038    0.12478

  1   339     -6.47045    0.19438
  1   340     -6.42178    0.14369
  1   341     -6.38634    0.11158
  1   342     -6.38111    0.10726



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17413
  1 Pt    0.00000   -0.00222   -0.37529
  2 Pt    0.00000   -0.01906   -0.43389
  3 O    -1.68313    0.00021   -0.71875
  4 O     1.68313    0.00021   -0.71875
  5 O     0.00000   -0.01130   -1.38784
  6 O     0.00000   -0.00271    1.76808
  7 Pt   -0.00000    0.01409    0.45075
  8 Pt    0.00000   -0.04097    0.75568
  9 O    -1.58127    0.00047    0.05048
 10 O     1.58127    0.00047    0.05048
 11 O     0.00000   -0.00889   -0.56712
 12 O    -0.00000    0.00785    0.13192
 13 Pt   -0.00000    0.27166   -0.03884
 14 Pt    0.00000   -0.01993    0.00661
 15 O    -0.00055    0.01057    0.00282
 16 O     0.00055    0.01057    0.00282
 17 O    -0.00000    0.00514   -1.01118
 18 O    -0.00000    0.00125    0.02535
 19 Pt    0.00000   -0.02372    0.12184
 20 Pt    0.00000   -0.03040    0.15010
 21 O    -0.20993    0.37947    0.22856
 22 O     0.20993    0.37947    0.22856
 23 O     0.00000   -0.01593   -0.08217
 24 O     0.00000   -0.00086    1.15010
 25 Pt   -0.00000    0.01677   -0.37825
 26 Pt    0.00000   -0.00017   -0.43420
 27 O    -1.69167    0.01340   -0.71808
 28 O     1.69167    0.01340   -0.71808
 29 O    -0.00000    0.04618   -1.38910
 30 O     0.00000   -0.00455    1.83333
 31 Pt   -0.00000    0.01897    0.51049
 32 Pt    0.00000   -0.14271    0.57765
 33 O    -1.61422   -0.01892    0.06964
 34 O     1.61422   -0.01892    0.06964
 35 O     0.00000   -0.03250   -0.52592
 36 O    -0.00000    0.21284   -0.11791
 37 Pt    0.00000   -0.30231   -0.04306
 38 Pt    0.00000   -0.00374   -0.01147
 39 O     0.01033    0.01148    0.01487
 40 O    -0.01033    0.01148    0.01487
 41 O     0.00000   -0.00014   -0.00785
 42 O    -0.00000    0.03269   -0.01697
 43 Pt    0.00000   -0.00928    0.08331
 44 Pt    0.00000   -0.07600    0.01544
 45 O    -0.19073   -0.37124    0.18457
 46 O     0.19073   -0.37124    0.18457
 47 O     0.00000   -0.02341   -0.04868
 48 O    -0.00000    0.02227    1.17208
 49 Pt    0.00000   -0.02267   -0.37745
 50 Pt   -0.00000    0.02114   -0.43575
 51 O    -1.69097   -0.01394   -0.71832
 52 O     1.69097   -0.01394   -0.71832
 53 O     0.00000   -0.01198   -1.40553
 54 O     0.00000   -0.00199    1.77602
 55 Pt    0.00000   -0.01219    0.51610
 56 Pt   -0.00000    0.12476    0.65285
 57 O    -1.61418    0.01379    0.09067
 58 O     1.61418    0.01379    0.09067
 59 O     0.00000   -0.02115   -0.51729
 60 O     0.00000   -0.20248   -0.11569
 61 Pt   -0.00000    0.01070   -0.09059
 62 Pt   -0.00000    0.01706   -0.00699
 63 O    -0.01481   -0.00777    0.00212
 64 O     0.01481   -0.00777    0.00212
 65 O     0.00000   -0.00066   -0.00014
 66 O     0.00000   -0.01187   -0.00426
 67 Pt   -0.00000    0.00832    0.02624
 68 Pt   -0.00000    0.15322    0.01930
 69 O    -0.00964   -0.00287   -0.02376
 70 O     0.00964   -0.00287   -0.02376
 71 O    -0.00000    0.00813   -0.04696
 72 N     0.00000   -0.45464   -0.02611
 73 N    -0.00000    0.37494    0.34636

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.318767   24.472873    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.327020   23.978943    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:49:29  -2.72   +inf  -414.218460    3      1      
iter:   2  02:51:39  -3.59  -3.38  -414.235623    3      1      
iter:   3  02:53:49  -4.07  -2.84  -414.216161    3      1      
iter:   4  02:56:00  -4.55  -3.19  -414.212997    3      1      
iter:   5  02:58:10  -4.78  -3.91  -414.211344    3      1      
iter:   6  03:00:20  -4.53  -3.82  -414.210781    3      1      
iter:   7  03:02:32  -5.16  -4.15  -414.211122    2      1      
iter:   8  03:04:42  -5.60  -4.43  -414.211138    2      1      
iter:   9  03:06:52  -5.96  -4.63  -414.211436    2      1      
iter:  10  03:09:04  -6.20  -4.38  -414.211414    2      1      
iter:  11  03:11:16  -6.51  -4.01  -414.210961    2      1      
iter:  12  03:13:27  -6.94  -4.77  -414.211083    2      1      
iter:  13  03:15:37  -7.12  -4.75  -414.210993    2      1      
iter:  14  03:17:47  -7.23  -4.88  -414.211079    2      1      
iter:  15  03:19:58  -7.48  -5.17  -414.211064    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962913, -32.571629, 0.044877) |e|*Ang

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

Kinetic:        +18.006767
Potential:     -136.889112
External:        +0.000000
XC:            -305.052472
Entropy (-ST):   -1.565090
Local:          +10.506297
--------------------------
Free energy:   -414.993609
Extrapolated:  -414.211064

Fermi level: -6.49690

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56664    0.14836
  0   340     -6.55131    0.14061
  0   341     -6.55027    0.14007
  0   342     -6.52172    0.12483

  1   339     -6.47169    0.19435
  1   340     -6.42306    0.14370
  1   341     -6.38756    0.11154
  1   342     -6.38271    0.10754



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17356
  1 Pt    0.00000   -0.00224   -0.37590
  2 Pt    0.00000   -0.01906   -0.43503
  3 O    -1.68277    0.00022   -0.71875
  4 O     1.68277    0.00022   -0.71875
  5 O     0.00000   -0.01130   -1.38766
  6 O     0.00000   -0.00279    1.76849
  7 Pt   -0.00000    0.01411    0.45150
  8 Pt    0.00000   -0.04109    0.75668
  9 O    -1.58099    0.00050    0.05147
 10 O     1.58099    0.00050    0.05147
 11 O     0.00000   -0.00888   -0.56636
 12 O    -0.00000    0.00794    0.13271
 13 Pt   -0.00000    0.27257   -0.03788
 14 Pt    0.00000   -0.01975    0.00717
 15 O    -0.00021    0.01069    0.00358
 16 O     0.00021    0.01069    0.00358
 17 O    -0.00000    0.00559   -1.01460
 18 O    -0.00000    0.00128    0.02575
 19 Pt    0.00000   -0.02364    0.12292
 20 Pt    0.00000   -0.03280    0.14927
 21 O    -0.21011    0.38029    0.22808
 22 O     0.21011    0.38029    0.22808
 23 O     0.00000   -0.01661   -0.08280
 24 O     0.00000   -0.00085    1.14952
 25 Pt   -0.00000    0.01682   -0.37886
 26 Pt    0.00000   -0.00017   -0.43535
 27 O    -1.69132    0.01341   -0.71810
 28 O     1.69132    0.01341   -0.71810
 29 O    -0.00000    0.04614   -1.38902
 30 O     0.00000   -0.00446    1.83375
 31 Pt   -0.00000    0.01898    0.51138
 32 Pt    0.00000   -0.14242    0.57891
 33 O    -1.61387   -0.01895    0.07070
 34 O     1.61387   -0.01895    0.07070
 35 O     0.00000   -0.03249   -0.52514
 36 O    -0.00000    0.21331   -0.11751
 37 Pt    0.00000   -0.30336   -0.04248
 38 Pt    0.00000   -0.00397   -0.01103
 39 O     0.01052    0.01147    0.01572
 40 O    -0.01052    0.01147    0.01572
 41 O     0.00000    0.00019   -0.00709
 42 O    -0.00000    0.03270   -0.01688
 43 Pt    0.00000   -0.00939    0.08437
 44 Pt    0.00000   -0.07595    0.01415
 45 O    -0.19210   -0.37331    0.18751
 46 O     0.19210   -0.37331    0.18751
 47 O     0.00000   -0.02314   -0.04944
 48 O    -0.00000    0.02226    1.17152
 49 Pt    0.00000   -0.02269   -0.37803
 50 Pt   -0.00000    0.02115   -0.43690
 51 O    -1.69062   -0.01395   -0.71832
 52 O     1.69062   -0.01395   -0.71832
 53 O     0.00000   -0.01194   -1.40532
 54 O     0.00000   -0.00201    1.77650
 55 Pt    0.00000   -0.01221    0.51689
 56 Pt   -0.00000    0.12461    0.65388
 57 O    -1.61386    0.01380    0.09166
 58 O     1.61386    0.01380    0.09166
 59 O     0.00000   -0.02117   -0.51660
 60 O     0.00000   -0.20301   -0.11504
 61 Pt   -0.00000    0.01076   -0.08973
 62 Pt   -0.00000    0.01711   -0.00646
 63 O    -0.01440   -0.00787    0.00287
 64 O     0.01440   -0.00787    0.00287
 65 O     0.00000   -0.00073    0.00172
 66 O     0.00000   -0.01186   -0.00413
 67 Pt   -0.00000    0.00849    0.02635
 68 Pt   -0.00000    0.15342    0.01974
 69 O    -0.00963   -0.00278   -0.02501
 70 O     0.00963   -0.00278   -0.02501
 71 O    -0.00000    0.00852   -0.04722
 72 N     0.00000   -0.36473   -0.04167
 73 N    -0.00000    0.25766    0.31941

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.306552   24.497536    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.320791   23.995430    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:27:18  -2.74   +inf  -414.227870    3      1      
iter:   2  03:29:28  -3.61  -3.32  -414.229998    3      1      
iter:   3  03:31:36  -4.11  -2.94  -414.229406    3      1      
iter:   4  03:33:45  -4.57  -3.05  -414.219996    3      1      
iter:   5  03:35:54  -4.84  -3.95  -414.218588    3      1      
iter:   6  03:38:05  -4.53  -3.78  -414.217874    3      1      
iter:   7  03:40:17  -5.21  -4.08  -414.218217    2      1      
iter:   8  03:42:26  -5.50  -4.39  -414.218236    2      1      
iter:   9  03:44:36  -5.90  -4.59  -414.218412    2      1      
iter:  10  03:46:48  -6.17  -4.54  -414.218103    2      1      
iter:  11  03:48:56  -6.66  -4.17  -414.218155    2      1      
iter:  12  03:51:07  -6.96  -4.80  -414.218212    2      1      
iter:  13  03:53:17  -7.24  -4.73  -414.218145    2      1      
iter:  14  03:55:28  -7.48  -4.91  -414.218196    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962952, -32.571208, 0.043110) |e|*Ang

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

Kinetic:        +18.212985
Potential:     -137.063775
External:        +0.000000
XC:            -305.090014
Entropy (-ST):   -1.564965
Local:          +10.505091
--------------------------
Free energy:   -415.000678
Extrapolated:  -414.218196

Fermi level: -6.49857

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56802    0.14822
  0   340     -6.55302    0.14064
  0   341     -6.55200    0.14011
  0   342     -6.52342    0.12485

  1   339     -6.47329    0.19429
  1   340     -6.42479    0.14378
  1   341     -6.38918    0.11151
  1   342     -6.38464    0.10775



Forces in eV/Ang:
  0 O     0.00000   -0.01756    1.17305
  1 Pt    0.00000   -0.00228   -0.37702
  2 Pt    0.00000   -0.01908   -0.43685
  3 O    -1.68270    0.00021   -0.71922
  4 O     1.68270    0.00021   -0.71922
  5 O     0.00000   -0.01125   -1.38781
  6 O     0.00000   -0.00277    1.76861
  7 Pt   -0.00000    0.01412    0.45194
  8 Pt    0.00000   -0.04114    0.75714
  9 O    -1.58075    0.00052    0.05166
 10 O     1.58075    0.00052    0.05166
 11 O     0.00000   -0.00884   -0.56624
 12 O    -0.00000    0.00777    0.13287
 13 Pt   -0.00000    0.27379   -0.03724
 14 Pt    0.00000   -0.01979    0.00734
 15 O    -0.00010    0.01070    0.00376
 16 O     0.00010    0.01070    0.00376
 17 O    -0.00000    0.00606   -1.01657
 18 O    -0.00000    0.00119    0.02560
 19 Pt    0.00000   -0.02319    0.12678
 20 Pt    0.00000   -0.03496    0.15247
 21 O    -0.21108    0.38145    0.23020
 22 O     0.21108    0.38145    0.23020
 23 O     0.00000   -0.01642   -0.08170
 24 O     0.00000   -0.00082    1.14900
 25 Pt   -0.00000    0.01686   -0.37993
 26 Pt    0.00000   -0.00015   -0.43718
 27 O    -1.69124    0.01340   -0.71856
 28 O     1.69124    0.01340   -0.71856
 29 O    -0.00000    0.04603   -1.38927
 30 O     0.00000   -0.00450    1.83392
 31 Pt   -0.00000    0.01898    0.51184
 32 Pt    0.00000   -0.14222    0.57969
 33 O    -1.61362   -0.01895    0.07088
 34 O     1.61362   -0.01895    0.07088
 35 O     0.00000   -0.03252   -0.52500
 36 O    -0.00000    0.21407   -0.11783
 37 Pt    0.00000   -0.30447   -0.04195
 38 Pt    0.00000   -0.00384   -0.01086
 39 O     0.01072    0.01149    0.01593
 40 O    -0.01072    0.01149    0.01593
 41 O     0.00000    0.00059   -0.00460
 42 O    -0.00000    0.03311   -0.01726
 43 Pt    0.00000   -0.00961    0.08983
 44 Pt    0.00000   -0.07653    0.01923
 45 O    -0.19432   -0.37547    0.19436
 46 O     0.19432   -0.37547    0.19436
 47 O     0.00000   -0.02347   -0.04823
 48 O    -0.00000    0.02226    1.17101
 49 Pt    0.00000   -0.02269   -0.37917
 50 Pt   -0.00000    0.02115   -0.43878
 51 O    -1.69055   -0.01393   -0.71878
 52 O     1.69055   -0.01393   -0.71878
 53 O     0.00000   -0.01188   -1.40557
 54 O     0.00000   -0.00198    1.77656
 55 Pt    0.00000   -0.01223    0.51737
 56 Pt   -0.00000    0.12448    0.65458
 57 O    -1.61362    0.01378    0.09183
 58 O     1.61362    0.01378    0.09183
 59 O     0.00000   -0.02117   -0.51636
 60 O     0.00000   -0.20355   -0.11544
 61 Pt   -0.00000    0.01054   -0.08940
 62 Pt   -0.00000    0.01701   -0.00633
 63 O    -0.01435   -0.00790    0.00307
 64 O     0.01435   -0.00790    0.00307
 65 O     0.00000   -0.00077    0.00443
 66 O     0.00000   -0.01217   -0.00467
 67 Pt   -0.00000    0.00836    0.02930
 68 Pt   -0.00000    0.15404    0.02426
 69 O    -0.01003   -0.00295   -0.02336
 70 O     0.01003   -0.00295   -0.02336
 71 O    -0.00000    0.00870   -0.04597
 72 N     0.00000   -0.18712    0.04855
 73 N    -0.00000    0.08099    0.19066

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.293667   24.524618    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.314187   24.012140    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:03:59  -2.68   +inf  -414.232213    3      1      
iter:   2  04:06:06  -3.44  -3.10  -414.493820    3      1      
iter:   3  04:08:15  -3.86  -2.39  -414.225132    2      1      
iter:   4  04:10:25  -4.41  -3.64  -414.226056    3      1      
iter:   5  04:12:35  -4.62  -3.93  -414.223255    3      1      
iter:   6  04:14:45  -4.47  -3.72  -414.224142    3      1      
iter:   7  04:16:55  -5.03  -3.88  -414.223904    3      1      
iter:   8  04:19:05  -5.53  -4.32  -414.223986    2      1      
iter:   9  04:21:14  -5.93  -4.39  -414.224027    2      1      
iter:  10  04:23:24  -6.15  -4.62  -414.224022    2      1      
iter:  11  04:25:36  -6.58  -4.40  -414.223868    2      1      
iter:  12  04:27:47  -7.03  -4.90  -414.223976    2      1      
iter:  13  04:29:57  -7.29  -4.76  -414.223847    2      1      
iter:  14  04:32:06  -7.79  -5.11  -414.223901    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962967, -32.571073, 0.042555) |e|*Ang

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

Kinetic:        +18.340484
Potential:     -137.181321
External:        +0.000000
XC:            -305.105210
Entropy (-ST):   -1.565074
Local:          +10.504684
--------------------------
Free energy:   -415.006438
Extrapolated:  -414.223901

Fermi level: -6.49907

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56868    0.14829
  0   340     -6.55342    0.14058
  0   341     -6.55239    0.14005
  0   342     -6.52414    0.12497

  1   339     -6.47372    0.19421
  1   340     -6.42517    0.14365
  1   341     -6.38970    0.11152
  1   342     -6.38553    0.10808



Forces in eV/Ang:
  0 O     0.00000   -0.01759    1.17359
  1 Pt    0.00000   -0.00227   -0.37613
  2 Pt    0.00000   -0.01908   -0.43532
  3 O    -1.68321    0.00021   -0.71869
  4 O     1.68321    0.00021   -0.71869
  5 O     0.00000   -0.01124   -1.38741
  6 O     0.00000   -0.00279    1.76773
  7 Pt   -0.00000    0.01415    0.45177
  8 Pt    0.00000   -0.04118    0.75664
  9 O    -1.58089    0.00056    0.05202
 10 O     1.58089    0.00056    0.05202
 11 O     0.00000   -0.00883   -0.56627
 12 O    -0.00000    0.00793    0.13297
 13 Pt   -0.00000    0.27473   -0.03717
 14 Pt    0.00000   -0.01981    0.00775
 15 O    -0.00011    0.01074    0.00434
 16 O     0.00011    0.01074    0.00434
 17 O    -0.00000    0.00626   -1.02242
 18 O    -0.00000    0.00127    0.02632
 19 Pt    0.00000   -0.02368    0.12428
 20 Pt    0.00000   -0.03606    0.15018
 21 O    -0.21079    0.38234    0.22987
 22 O     0.21079    0.38234    0.22987
 23 O     0.00000   -0.01676   -0.08320
 24 O     0.00000   -0.00082    1.14954
 25 Pt   -0.00000    0.01688   -0.37900
 26 Pt    0.00000   -0.00015   -0.43565
 27 O    -1.69174    0.01340   -0.71803
 28 O     1.69174    0.01340   -0.71803
 29 O    -0.00000    0.04598   -1.38895
 30 O     0.00000   -0.00446    1.83308
 31 Pt   -0.00000    0.01899    0.51172
 32 Pt    0.00000   -0.14201    0.57947
 33 O    -1.61375   -0.01895    0.07125
 34 O     1.61375   -0.01895    0.07125
 35 O     0.00000   -0.03250   -0.52505
 36 O    -0.00000    0.21459   -0.11828
 37 Pt    0.00000   -0.30560   -0.04221
 38 Pt    0.00000   -0.00382   -0.01055
 39 O     0.01069    0.01146    0.01653
 40 O    -0.01069    0.01146    0.01653
 41 O     0.00000    0.00105   -0.00779
 42 O    -0.00000    0.03293   -0.01645
 43 Pt    0.00000   -0.00939    0.08822
 44 Pt    0.00000   -0.07722    0.01621
 45 O    -0.19606   -0.37749    0.19812
 46 O     0.19606   -0.37749    0.19812
 47 O     0.00000   -0.02304   -0.04983
 48 O    -0.00000    0.02229    1.17155
 49 Pt    0.00000   -0.02273   -0.37826
 50 Pt   -0.00000    0.02114   -0.43730
 51 O    -1.69107   -0.01393   -0.71825
 52 O     1.69107   -0.01393   -0.71825
 53 O     0.00000   -0.01186   -1.40520
 54 O     0.00000   -0.00201    1.77568
 55 Pt    0.00000   -0.01226    0.51720
 56 Pt   -0.00000    0.12431    0.65427
 57 O    -1.61377    0.01373    0.09215
 58 O     1.61377    0.01373    0.09215
 59 O     0.00000   -0.02121   -0.51651
 60 O     0.00000   -0.20421   -0.11550
 61 Pt   -0.00000    0.01065   -0.08969
 62 Pt   -0.00000    0.01702   -0.00573
 63 O    -0.01437   -0.00792    0.00363
 64 O     0.01437   -0.00792    0.00363
 65 O     0.00000   -0.00077    0.00109
 66 O     0.00000   -0.01203   -0.00369
 67 Pt   -0.00000    0.00870    0.02649
 68 Pt   -0.00000    0.15399    0.02044
 69 O    -0.00934   -0.00299   -0.02419
 70 O     0.00934   -0.00299   -0.02419
 71 O    -0.00000    0.00865   -0.04757
 72 N     0.00000   -0.03935    0.12974
 73 N     0.00000   -0.01847    0.14095

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.280709   24.551611    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.307567   24.028271    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:44:17  -2.68   +inf  -414.232815    3      1      
iter:   2  04:46:27  -3.55  -3.47  -414.257854    3      1      
iter:   3  04:48:38  -4.05  -2.82  -414.230224    3      1      
iter:   4  04:50:50  -4.51  -3.51  -414.231258    3      1      
iter:   5  04:53:00  -4.62  -3.89  -414.228949    3      1      
iter:   6  04:55:10  -4.50  -3.80  -414.228785    3      1      
iter:   7  04:57:24  -5.08  -4.17  -414.229071    2      1      
iter:   8  04:59:36  -5.54  -4.40  -414.229169    2      1      
iter:   9  05:01:46  -6.00  -4.45  -414.229329    2      1      
iter:  10  05:03:56  -6.20  -4.22  -414.229296    2      1      
iter:  11  05:06:08  -6.51  -4.46  -414.228878    2      1      
iter:  12  05:08:21  -6.92  -4.64  -414.229162    2      1      
iter:  13  05:10:33  -7.17  -4.85  -414.229026    2      1      
iter:  14  05:12:44  -7.46  -5.02  -414.229068    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962982, -32.570712, 0.040793) |e|*Ang

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

Kinetic:        +18.399911
Potential:     -137.241719
External:        +0.000000
XC:            -305.109141
Entropy (-ST):   -1.565131
Local:          +10.504446
--------------------------
Free energy:   -415.011634
Extrapolated:  -414.229068

Fermi level: -6.50048

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56999    0.14824
  0   340     -6.55481    0.14057
  0   341     -6.55380    0.14005
  0   342     -6.52565    0.12502

  1   339     -6.47515    0.19423
  1   340     -6.42656    0.14364
  1   341     -6.39112    0.11153
  1   342     -6.38721    0.10830



Forces in eV/Ang:
  0 O     0.00000   -0.01759    1.17358
  1 Pt    0.00000   -0.00228   -0.37634
  2 Pt    0.00000   -0.01910   -0.43555
  3 O    -1.68302    0.00021   -0.71889
  4 O     1.68302    0.00021   -0.71889
  5 O     0.00000   -0.01127   -1.38772
  6 O     0.00000   -0.00286    1.76757
  7 Pt   -0.00000    0.01419    0.45113
  8 Pt    0.00000   -0.04130    0.75666
  9 O    -1.58096    0.00059    0.05127
 10 O     1.58096    0.00059    0.05127
 11 O     0.00000   -0.00885   -0.56675
 12 O    -0.00000    0.00786    0.13262
 13 Pt   -0.00000    0.27568   -0.03799
 14 Pt    0.00000   -0.01964    0.00713
 15 O     0.00005    0.01088    0.00344
 16 O    -0.00005    0.01088    0.00344
 17 O    -0.00000    0.00659   -1.02730
 18 O    -0.00000    0.00133    0.02633
 19 Pt    0.00000   -0.02334    0.12483
 20 Pt    0.00000   -0.03769    0.14946
 21 O    -0.21126    0.38314    0.23010
 22 O     0.21126    0.38314    0.23010
 23 O     0.00000   -0.01704   -0.08288
 24 O     0.00000   -0.00079    1.14952
 25 Pt   -0.00000    0.01692   -0.37927
 26 Pt    0.00000   -0.00012   -0.43591
 27 O    -1.69156    0.01340   -0.71828
 28 O     1.69156    0.01340   -0.71828
 29 O    -0.00000    0.04595   -1.38942
 30 O     0.00000   -0.00439    1.83286
 31 Pt   -0.00000    0.01897    0.51122
 32 Pt    0.00000   -0.14177    0.57975
 33 O    -1.61378   -0.01898    0.07056
 34 O     1.61378   -0.01898    0.07056
 35 O     0.00000   -0.03250   -0.52547
 36 O    -0.00000    0.21524   -0.11901
 37 Pt    0.00000   -0.30647   -0.04330
 38 Pt    0.00000   -0.00396   -0.01124
 39 O     0.01072    0.01144    0.01564
 40 O    -0.01072    0.01144    0.01564
 41 O     0.00000    0.00134   -0.00848
 42 O    -0.00000    0.03313   -0.01670
 43 Pt    0.00000   -0.00960    0.08954
 44 Pt    0.00000   -0.07753    0.01608
 45 O    -0.19756   -0.37925    0.20204
 46 O     0.19756   -0.37925    0.20204
 47 O     0.00000   -0.02301   -0.04960
 48 O    -0.00000    0.02227    1.17155
 49 Pt    0.00000   -0.02275   -0.37850
 50 Pt   -0.00000    0.02114   -0.43755
 51 O    -1.69088   -0.01393   -0.71846
 52 O     1.69088   -0.01393   -0.71846
 53 O     0.00000   -0.01181   -1.40551
 54 O     0.00000   -0.00201    1.77550
 55 Pt    0.00000   -0.01228    0.51657
 56 Pt   -0.00000    0.12420    0.65433
 57 O    -1.61382    0.01373    0.09140
 58 O     1.61382    0.01373    0.09140
 59 O     0.00000   -0.02119   -0.51701
 60 O     0.00000   -0.20479   -0.11619
 61 Pt   -0.00000    0.01053   -0.09067
 62 Pt   -0.00000    0.01698   -0.00631
 63 O    -0.01422   -0.00803    0.00272
 64 O     0.01422   -0.00803    0.00272
 65 O     0.00000   -0.00083    0.00099
 66 O     0.00000   -0.01229   -0.00402
 67 Pt   -0.00000    0.00869    0.02627
 68 Pt   -0.00000    0.15424    0.02066
 69 O    -0.00948   -0.00299   -0.02456
 70 O     0.00948   -0.00299   -0.02456
 71 O    -0.00000    0.00878   -0.04710
 72 N     0.00000   -0.01979    0.15837
 73 N     0.00000   -0.09628    0.07561

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.268333   24.573704    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.300971   24.043644    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:21:18  -2.80   +inf  -414.247964    3      1      
iter:   2  05:23:28  -3.55  -3.15  -414.388756    3      1      
iter:   3  05:25:37  -3.95  -2.48  -414.237228    3      1      
iter:   4  05:27:48  -4.48  -3.19  -414.235529    3      1      
iter:   5  05:30:00  -4.95  -3.94  -414.233897    3      1      
iter:   6  05:32:11  -4.57  -3.88  -414.232581    3      1      
iter:   7  05:34:21  -5.09  -4.08  -414.233383    2      1      
iter:   8  05:36:30  -5.34  -4.33  -414.233360    3      1      
iter:   9  05:38:42  -5.94  -4.44  -414.233584    2      1      
iter:  10  05:40:53  -6.29  -4.45  -414.233426    2      1      
iter:  11  05:43:05  -6.53  -3.96  -414.233455    2      1      
iter:  12  05:45:15  -6.73  -4.66  -414.233572    2      1      
iter:  13  05:47:26  -6.76  -4.63  -414.233321    2      1      
iter:  14  05:49:37  -7.51  -4.92  -414.233371    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963013, -32.570498, 0.039571) |e|*Ang

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

Kinetic:        +18.663212
Potential:     -137.461772
External:        +0.000000
XC:            -305.156538
Entropy (-ST):   -1.565136
Local:          +10.504294
--------------------------
Free energy:   -415.015939
Extrapolated:  -414.233371

Fermi level: -6.50164

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57107    0.14821
  0   340     -6.55595    0.14056
  0   341     -6.55493    0.14004
  0   342     -6.52693    0.12509

  1   339     -6.47627    0.19419
  1   340     -6.42769    0.14361
  1   341     -6.39231    0.11155
  1   342     -6.38861    0.10850



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17351
  1 Pt    0.00000   -0.00226   -0.37704
  2 Pt    0.00000   -0.01909   -0.43704
  3 O    -1.68299    0.00022   -0.71938
  4 O     1.68299    0.00022   -0.71938
  5 O     0.00000   -0.01118   -1.38779
  6 O     0.00000   -0.00268    1.76716
  7 Pt   -0.00000    0.01406    0.45125
  8 Pt    0.00000   -0.04125    0.75645
  9 O    -1.58111    0.00052    0.05129
 10 O     1.58111    0.00052    0.05129
 11 O     0.00000   -0.00886   -0.56712
 12 O    -0.00000    0.00768    0.13260
 13 Pt   -0.00000    0.27678   -0.03914
 14 Pt    0.00000   -0.02012    0.00669
 15 O    -0.00028    0.01076    0.00290
 16 O     0.00028    0.01076    0.00290
 17 O    -0.00000    0.00682   -1.03095
 18 O    -0.00000    0.00122    0.02625
 19 Pt    0.00000   -0.02311    0.12679
 20 Pt    0.00000   -0.03858    0.15475
 21 O    -0.21177    0.38428    0.23215
 22 O     0.21177    0.38428    0.23215
 23 O     0.00000   -0.01639   -0.08255
 24 O     0.00000   -0.00080    1.14944
 25 Pt   -0.00000    0.01695   -0.37983
 26 Pt    0.00000   -0.00014   -0.43739
 27 O    -1.69150    0.01340   -0.71871
 28 O     1.69150    0.01340   -0.71871
 29 O    -0.00000    0.04583   -1.38951
 30 O     0.00000   -0.00455    1.83249
 31 Pt   -0.00000    0.01898    0.51102
 32 Pt    0.00000   -0.14163    0.57974
 33 O    -1.61397   -0.01895    0.07045
 34 O     1.61397   -0.01895    0.07045
 35 O     0.00000   -0.03249   -0.52590
 36 O    -0.00000    0.21576   -0.11948
 37 Pt    0.00000   -0.30750   -0.04434
 38 Pt    0.00000   -0.00351   -0.01167
 39 O     0.01081    0.01141    0.01514
 40 O    -0.01081    0.01141    0.01514
 41 O     0.00000    0.00166   -0.00831
 42 O    -0.00000    0.03324   -0.01667
 43 Pt    0.00000   -0.00945    0.09415
 44 Pt    0.00000   -0.07893    0.02408
 45 O    -0.19965   -0.38095    0.20946
 46 O     0.19965   -0.38095    0.20946
 47 O     0.00000   -0.02358   -0.04859
 48 O    -0.00000    0.02231    1.17142
 49 Pt    0.00000   -0.02280   -0.37917
 50 Pt   -0.00000    0.02114   -0.43911
 51 O    -1.69086   -0.01394   -0.71893
 52 O     1.69086   -0.01394   -0.71893
 53 O     0.00000   -0.01177   -1.40566
 54 O     0.00000   -0.00203    1.77528
 55 Pt    0.00000   -0.01215    0.51666
 56 Pt   -0.00000    0.12402    0.65460
 57 O    -1.61401    0.01376    0.09137
 58 O     1.61401    0.01376    0.09137
 59 O     0.00000   -0.02121   -0.51704
 60 O     0.00000   -0.20510   -0.11671
 61 Pt   -0.00000    0.01034   -0.09219
 62 Pt   -0.00000    0.01701   -0.00721
 63 O    -0.01464   -0.00787    0.00226
 64 O     0.01464   -0.00787    0.00226
 65 O     0.00000   -0.00063   -0.00044
 66 O     0.00000   -0.01222   -0.00411
 67 Pt   -0.00000    0.00839    0.02835
 68 Pt   -0.00000    0.15479    0.02498
 69 O    -0.00928   -0.00349   -0.02246
 70 O     0.00928   -0.00349   -0.02246
 71 O    -0.00000    0.00873   -0.04637
 72 N    -0.00000    0.23456    0.22859
 73 N     0.00000   -0.32590   -0.06364

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.270627   24.581055    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.302729   24.035797    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:01:14  -3.24   +inf  -414.312944    4      1      
iter:   2  06:03:23  -2.97  -2.63  -416.474303    3      1      
iter:   3  06:05:34  -3.33  -1.95  -414.262054    3      1      
iter:   4  06:07:46  -3.91  -3.07  -414.240332    3      1      
iter:   5  06:09:55  -4.34  -3.32  -414.237293    3      1      
iter:   6  06:12:06  -4.68  -3.70  -414.235121    3      1      
iter:   7  06:14:15  -4.64  -3.63  -414.232715    3      1      
iter:   8  06:16:27  -4.75  -3.76  -414.231924    3      1      
iter:   9  06:18:39  -4.86  -4.09  -414.230952    3      1      
iter:  10  06:20:48  -5.79  -4.09  -414.231723    2      1      
iter:  11  06:22:58  -5.64  -4.11  -414.230772    3      1      
iter:  12  06:25:09  -6.18  -3.89  -414.231113    2      1      
iter:  13  06:27:20  -6.07  -4.10  -414.231203    2      1      
iter:  14  06:29:31  -6.06  -4.43  -414.231203    2      1      
iter:  15  06:31:41  -6.42  -4.57  -414.231233    2      1      
iter:  16  06:33:52  -6.80  -4.70  -414.231110    2      1      
iter:  17  06:36:04  -7.19  -4.77  -414.231116    2      1      
iter:  18  06:38:13  -7.38  -4.74  -414.231219    2      1      
iter:  19  06:40:23  -7.68  -4.73  -414.231120    2      1      

Converged after 19 iterations.

Dipole moment: (-55.962835, -32.572614, 0.042097) |e|*Ang

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

Kinetic:        +17.541003
Potential:     -136.579565
External:        +0.000000
XC:            -304.912733
Entropy (-ST):   -1.565007
Local:          +10.502678
--------------------------
Free energy:   -415.013623
Extrapolated:  -414.231120

Fermi level: -6.49911

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56852    0.14820
  0   340     -6.55354    0.14063
  0   341     -6.55254    0.14011
  0   342     -6.52433    0.12505

  1   339     -6.47376    0.19420
  1   340     -6.42527    0.14371
  1   341     -6.38981    0.11158
  1   342     -6.38594    0.10838



Forces in eV/Ang:
  0 O     0.00000   -0.01760    1.17514
  1 Pt    0.00000   -0.00229   -0.37514
  2 Pt    0.00000   -0.01909   -0.43439
  3 O    -1.68260    0.00020   -0.71786
  4 O     1.68260    0.00020   -0.71786
  5 O     0.00000   -0.01114   -1.38769
  6 O     0.00000   -0.00267    1.76698
  7 Pt   -0.00000    0.01409    0.45159
  8 Pt    0.00000   -0.04120    0.75677
  9 O    -1.58105    0.00052    0.05131
 10 O     1.58105    0.00052    0.05131
 11 O     0.00000   -0.00883   -0.56664
 12 O    -0.00000    0.00780    0.13293
 13 Pt   -0.00000    0.27601   -0.03651
 14 Pt    0.00000   -0.02012    0.00796
 15 O    -0.00020    0.01067    0.00407
 16 O     0.00020    0.01067    0.00407
 17 O    -0.00000    0.00576   -1.02524
 18 O    -0.00000    0.00105    0.02635
 19 Pt    0.00000   -0.02335    0.11744
 20 Pt    0.00000   -0.03148    0.15307
 21 O    -0.21222    0.38399    0.22393
 22 O     0.21222    0.38399    0.22393
 23 O     0.00000   -0.01611   -0.08811
 24 O     0.00000   -0.00079    1.15108
 25 Pt   -0.00000    0.01695   -0.37791
 26 Pt    0.00000   -0.00014   -0.43474
 27 O    -1.69110    0.01341   -0.71720
 28 O     1.69110    0.01341   -0.71720
 29 O    -0.00000    0.04583   -1.38941
 30 O     0.00000   -0.00458    1.83225
 31 Pt   -0.00000    0.01897    0.51139
 32 Pt    0.00000   -0.14188    0.57983
 33 O    -1.61392   -0.01894    0.07048
 34 O     1.61392   -0.01894    0.07048
 35 O     0.00000   -0.03254   -0.52543
 36 O    -0.00000    0.21535   -0.11900
 37 Pt    0.00000   -0.30663   -0.04186
 38 Pt    0.00000   -0.00360   -0.01032
 39 O     0.01077    0.01146    0.01632
 40 O    -0.01077    0.01146    0.01632
 41 O     0.00000    0.00176   -0.00533
 42 O    -0.00000    0.03325   -0.01642
 43 Pt    0.00000   -0.00948    0.08748
 44 Pt    0.00000   -0.08125    0.01789
 45 O    -0.20152   -0.38050    0.20322
 46 O     0.20152   -0.38050    0.20322
 47 O     0.00000   -0.02256   -0.05345
 48 O    -0.00000    0.02228    1.17306
 49 Pt    0.00000   -0.02276   -0.37728
 50 Pt   -0.00000    0.02114   -0.43647
 51 O    -1.69045   -0.01392   -0.71742
 52 O     1.69045   -0.01392   -0.71742
 53 O     0.00000   -0.01180   -1.40556
 54 O     0.00000   -0.00200    1.77494
 55 Pt    0.00000   -0.01218    0.51698
 56 Pt   -0.00000    0.12419    0.65467
 57 O    -1.61394    0.01375    0.09138
 58 O     1.61394    0.01375    0.09138
 59 O     0.00000   -0.02117   -0.51666
 60 O     0.00000   -0.20491   -0.11593
 61 Pt   -0.00000    0.01046   -0.08960
 62 Pt   -0.00000    0.01709   -0.00566
 63 O    -0.01456   -0.00784    0.00333
 64 O     0.01456   -0.00784    0.00333
 65 O     0.00000   -0.00050    0.00238
 66 O     0.00000   -0.01210   -0.00421
 67 Pt   -0.00000    0.00838    0.02125
 68 Pt   -0.00000    0.15388    0.01089
 69 O    -0.00992   -0.00334   -0.02922
 70 O     0.00992   -0.00334   -0.02922
 71 O    -0.00000    0.00737   -0.05239
 72 N     0.00000   -0.75859   -0.28816
 73 N    -0.00000    0.60609    0.49042

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.265374   24.578617    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.299308   24.044040    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:00:38  -3.42   +inf  -414.299131    4      1      
iter:   2  07:02:47  -3.29  -2.79  -415.206739    4      1      
iter:   3  07:04:57  -3.55  -2.11  -414.259257    3      1      
iter:   4  07:07:08  -4.12  -2.89  -414.241326    3      1      
iter:   5  07:09:20  -4.92  -3.57  -414.237353    3      1      
iter:   6  07:11:30  -4.90  -3.63  -414.234470    3      1      
iter:   7  07:13:39  -5.16  -3.85  -414.234755    3      1      
iter:   8  07:15:52  -4.89  -3.79  -414.234577    3      1      
iter:   9  07:18:02  -5.41  -4.11  -414.234404    2      1      
iter:  10  07:20:12  -5.32  -4.12  -414.234829    3      1      
iter:  11  07:22:22  -6.19  -4.21  -414.234087    2      1      
iter:  12  07:24:31  -6.40  -4.16  -414.234399    2      1      
iter:  13  07:26:42  -6.39  -4.15  -414.234554    2      1      
iter:  14  07:28:50  -6.43  -4.46  -414.234337    2      1      
iter:  15  07:31:00  -6.68  -4.47  -414.234258    3      1      
iter:  16  07:33:11  -6.56  -4.51  -414.234294    3      1      
iter:  17  07:35:24  -6.81  -4.79  -414.234411    2      1      
iter:  18  07:37:33  -7.65  -5.11  -414.234356    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963000, -32.570598, 0.039282) |e|*Ang

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

Kinetic:        +18.471134
Potential:     -137.302865
External:        +0.000000
XC:            -305.125058
Entropy (-ST):   -1.565147
Local:          +10.505007
--------------------------
Free energy:   -415.016930
Extrapolated:  -414.234356

Fermi level: -6.50130

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57060    0.14814
  0   340     -6.55571    0.14061
  0   341     -6.55472    0.14010
  0   342     -6.52655    0.12507

  1   339     -6.47600    0.19426
  1   340     -6.42743    0.14368
  1   341     -6.39200    0.11158
  1   342     -6.38824    0.10846



Forces in eV/Ang:
  0 O     0.00000   -0.01760    1.17402
  1 Pt    0.00000   -0.00228   -0.37597
  2 Pt    0.00000   -0.01908   -0.43454
  3 O    -1.68268    0.00022   -0.71879
  4 O     1.68268    0.00022   -0.71879
  5 O     0.00000   -0.01118   -1.38771
  6 O     0.00000   -0.00275    1.76915
  7 Pt   -0.00000    0.01409    0.45201
  8 Pt    0.00000   -0.04128    0.75695
  9 O    -1.58107    0.00049    0.05139
 10 O     1.58107    0.00049    0.05139
 11 O     0.00000   -0.00887   -0.56637
 12 O    -0.00000    0.00789    0.13286
 13 Pt   -0.00000    0.27662   -0.03786
 14 Pt    0.00000   -0.02013    0.00689
 15 O    -0.00053    0.01076    0.00348
 16 O     0.00053    0.01076    0.00348
 17 O    -0.00000    0.00647   -1.02906
 18 O    -0.00000    0.00078    0.02612
 19 Pt    0.00000   -0.02268    0.12557
 20 Pt    0.00000   -0.03598    0.15378
 21 O    -0.21171    0.38471    0.23052
 22 O     0.21171    0.38471    0.23052
 23 O     0.00000   -0.01437   -0.08408
 24 O     0.00000   -0.00081    1.14995
 25 Pt   -0.00000    0.01696   -0.37879
 26 Pt    0.00000   -0.00016   -0.43488
 27 O    -1.69121    0.01340   -0.71813
 28 O     1.69121    0.01340   -0.71813
 29 O    -0.00000    0.04583   -1.38940
 30 O     0.00000   -0.00449    1.83449
 31 Pt   -0.00000    0.01897    0.51187
 32 Pt    0.00000   -0.14161    0.58016
 33 O    -1.61390   -0.01893    0.07056
 34 O     1.61390   -0.01893    0.07056
 35 O     0.00000   -0.03249   -0.52519
 36 O    -0.00000    0.21557   -0.11939
 37 Pt    0.00000   -0.30736   -0.04357
 38 Pt    0.00000   -0.00356   -0.01139
 39 O     0.01045    0.01140    0.01550
 40 O    -0.01045    0.01140    0.01550
 41 O     0.00000    0.00194   -0.00583
 42 O    -0.00000    0.03362   -0.01680
 43 Pt    0.00000   -0.00958    0.09720
 44 Pt    0.00000   -0.08054    0.02664
 45 O    -0.20259   -0.38138    0.21384
 46 O     0.20259   -0.38138    0.21384
 47 O     0.00000   -0.02484   -0.04924
 48 O    -0.00000    0.02230    1.17195
 49 Pt    0.00000   -0.02278   -0.37810
 50 Pt   -0.00000    0.02115   -0.43658
 51 O    -1.69054   -0.01394   -0.71834
 52 O     1.69054   -0.01394   -0.71834
 53 O     0.00000   -0.01177   -1.40548
 54 O     0.00000   -0.00202    1.77729
 55 Pt    0.00000   -0.01217    0.51742
 56 Pt   -0.00000    0.12403    0.65491
 57 O    -1.61399    0.01378    0.09146
 58 O     1.61399    0.01378    0.09146
 59 O     0.00000   -0.02119   -0.51644
 60 O     0.00000   -0.20517   -0.11631
 61 Pt   -0.00000    0.01037   -0.09083
 62 Pt   -0.00000    0.01708   -0.00647
 63 O    -0.01480   -0.00787    0.00282
 64 O     0.01480   -0.00787    0.00282
 65 O     0.00000   -0.00059    0.00235
 66 O     0.00000   -0.01214   -0.00440
 67 Pt   -0.00000    0.00793    0.02842
 68 Pt   -0.00000    0.15433    0.02153
 69 O    -0.00950   -0.00399   -0.02291
 70 O     0.00950   -0.00399   -0.02291
 71 O    -0.00000    0.00802   -0.04809
 72 N    -0.00000    0.11866    0.16671
 73 N     0.00000   -0.21152    0.00233

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.262360   24.581751    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.297290   24.045329    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:57:41  -4.32   +inf  -414.242279    3      1      
iter:   2  07:59:51  -4.04  -3.17  -414.459694    3      1      
iter:   3  08:02:01  -4.29  -2.43  -414.234186    2      1      
iter:   4  08:04:14  -5.04  -3.90  -414.235439    3      1      
iter:   5  08:06:23  -5.57  -4.41  -414.235027    2      1      
iter:   6  08:08:33  -5.77  -4.65  -414.234857    2      1      
iter:   7  08:10:44  -6.20  -4.56  -414.235032    2      1      
iter:   8  08:12:55  -6.60  -4.99  -414.234977    2      1      
iter:   9  08:15:06  -7.17  -5.10  -414.234980    2      1      
iter:  10  08:17:17  -7.38  -4.82  -414.235063    2      1      
iter:  11  08:19:26  -7.72  -4.89  -414.234955    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962982, -32.570917, 0.039858) |e|*Ang

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

Kinetic:        +18.521789
Potential:     -137.354165
External:        +0.000000
XC:            -305.124578
Entropy (-ST):   -1.565153
Local:          +10.504575
--------------------------
Free energy:   -415.017532
Extrapolated:  -414.234955

Fermi level: -6.50103

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57054    0.14824
  0   340     -6.55533    0.14056
  0   341     -6.55432    0.14003
  0   342     -6.52636    0.12511

  1   339     -6.47562    0.19414
  1   340     -6.42707    0.14359
  1   341     -6.39172    0.11157
  1   342     -6.38805    0.10853



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17470
  1 Pt    0.00000   -0.00229   -0.37581
  2 Pt    0.00000   -0.01907   -0.43395
  3 O    -1.68341    0.00023   -0.71873
  4 O     1.68341    0.00023   -0.71873
  5 O     0.00000   -0.01117   -1.38830
  6 O     0.00000   -0.00275    1.76606
  7 Pt   -0.00000    0.01405    0.45019
  8 Pt    0.00000   -0.04131    0.75576
  9 O    -1.58117    0.00047    0.05042
 10 O     1.58117    0.00047    0.05042
 11 O     0.00000   -0.00888   -0.56792
 12 O    -0.00000    0.00789    0.13143
 13 Pt   -0.00000    0.27679   -0.03913
 14 Pt    0.00000   -0.02005    0.00641
 15 O    -0.00013    0.01075    0.00287
 16 O     0.00013    0.01075    0.00287
 17 O    -0.00000    0.00647   -1.03184
 18 O    -0.00000    0.00092    0.02623
 19 Pt    0.00000   -0.02305    0.12063
 20 Pt    0.00000   -0.03426    0.15616
 21 O    -0.21125    0.38431    0.22822
 22 O     0.21125    0.38431    0.22822
 23 O     0.00000   -0.01480   -0.08565
 24 O     0.00000   -0.00082    1.15065
 25 Pt   -0.00000    0.01695   -0.37865
 26 Pt    0.00000   -0.00017   -0.43428
 27 O    -1.69194    0.01338   -0.71809
 28 O     1.69194    0.01338   -0.71809
 29 O    -0.00000    0.04583   -1.39005
 30 O     0.00000   -0.00449    1.83145
 31 Pt   -0.00000    0.01899    0.51004
 32 Pt    0.00000   -0.14161    0.57903
 33 O    -1.61398   -0.01893    0.06960
 34 O     1.61398   -0.01893    0.06960
 35 O     0.00000   -0.03248   -0.52666
 36 O    -0.00000    0.21572   -0.12086
 37 Pt    0.00000   -0.30748   -0.04474
 38 Pt    0.00000   -0.00365   -0.01200
 39 O     0.01082    0.01145    0.01495
 40 O    -0.01082    0.01145    0.01495
 41 O     0.00000    0.00184   -0.00906
 42 O    -0.00000    0.03337   -0.01662
 43 Pt    0.00000   -0.00945    0.09288
 44 Pt    0.00000   -0.08161    0.02509
 45 O    -0.20223   -0.38135    0.21249
 46 O     0.20223   -0.38135    0.21249
 47 O     0.00000   -0.02403   -0.05070
 48 O    -0.00000    0.02228    1.17263
 49 Pt    0.00000   -0.02277   -0.37795
 50 Pt   -0.00000    0.02115   -0.43596
 51 O    -1.69127   -0.01393   -0.71830
 52 O     1.69127   -0.01393   -0.71830
 53 O     0.00000   -0.01178   -1.40609
 54 O     0.00000   -0.00202    1.77431
 55 Pt    0.00000   -0.01216    0.51560
 56 Pt   -0.00000    0.12405    0.65373
 57 O    -1.61407    0.01380    0.09047
 58 O     1.61407    0.01380    0.09047
 59 O     0.00000   -0.02120   -0.51793
 60 O     0.00000   -0.20533   -0.11779
 61 Pt   -0.00000    0.01033   -0.09229
 62 Pt   -0.00000    0.01709   -0.00726
 63 O    -0.01453   -0.00790    0.00210
 64 O     0.01453   -0.00790    0.00210
 65 O     0.00000   -0.00049   -0.00115
 66 O     0.00000   -0.01205   -0.00425
 67 Pt   -0.00000    0.00815    0.02418
 68 Pt   -0.00000    0.15399    0.01577
 69 O    -0.00918   -0.00373   -0.02519
 70 O     0.00918   -0.00373   -0.02519
 71 O    -0.00000    0.00761   -0.05012
 72 N    -0.00000    0.11776    0.14329
 73 N     0.00000   -0.18530    0.00163

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.244162   24.600374    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.284636   24.051781    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:24:05  -2.81   +inf  -414.238224    3      1      
iter:   2  08:26:16  -3.66  -3.63  -414.247519    2      1      
iter:   3  08:28:27  -4.14  -3.09  -414.240284    2      1      
iter:   4  08:30:37  -4.48  -3.64  -414.237330    3      1      
iter:   5  08:32:48  -4.55  -3.75  -414.239397    3      1      
iter:   6  08:34:55  -4.66  -4.01  -414.238054    3      1      
iter:   7  08:37:04  -5.15  -4.24  -414.238316    2      1      
iter:   8  08:39:15  -5.38  -4.17  -414.238119    2      1      
iter:   9  08:41:27  -5.83  -3.96  -414.238086    2      1      
iter:  10  08:43:37  -6.32  -4.43  -414.238132    2      1      
iter:  11  08:45:47  -6.62  -4.73  -414.237914    2      1      
iter:  12  08:47:58  -6.95  -4.75  -414.238146    2      1      
iter:  13  08:50:08  -7.19  -4.89  -414.237999    2      1      
iter:  14  08:52:17  -7.14  -4.89  -414.238066    2      1      
iter:  15  08:54:28  -7.62  -4.69  -414.238017    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962972, -32.571868, 0.040410) |e|*Ang

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

Kinetic:        +18.340336
Potential:     -137.216588
External:        +0.000000
XC:            -305.082092
Entropy (-ST):   -1.565167
Local:          +10.502911
--------------------------
Free energy:   -415.020601
Extrapolated:  -414.238017

Fermi level: -6.50131

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57125    0.14846
  0   340     -6.55529    0.14039
  0   341     -6.55422    0.13984
  0   342     -6.52681    0.12520

  1   339     -6.47571    0.19394
  1   340     -6.42712    0.14337
  1   341     -6.39192    0.11150
  1   342     -6.38850    0.10867



Forces in eV/Ang:
  0 O     0.00000   -0.01759    1.17472
  1 Pt    0.00000   -0.00229   -0.37633
  2 Pt    0.00000   -0.01907   -0.43469
  3 O    -1.68523    0.00022   -0.71845
  4 O     1.68523    0.00022   -0.71845
  5 O     0.00000   -0.01120   -1.38732
  6 O     0.00000   -0.00286    1.76003
  7 Pt   -0.00000    0.01415    0.44879
  8 Pt    0.00000   -0.04140    0.75514
  9 O    -1.58132    0.00049    0.05072
 10 O     1.58132    0.00049    0.05072
 11 O     0.00000   -0.00889   -0.56701
 12 O    -0.00000    0.00795    0.13212
 13 Pt   -0.00000    0.27649   -0.04016
 14 Pt    0.00000   -0.01981    0.00535
 15 O     0.00019    0.01083    0.00321
 16 O    -0.00019    0.01083    0.00321
 17 O    -0.00000    0.00680   -1.03618
 18 O    -0.00000    0.00114    0.02698
 19 Pt    0.00000   -0.02334    0.12078
 20 Pt    0.00000   -0.03686    0.15106
 21 O    -0.21097    0.38371    0.22811
 22 O     0.21097    0.38371    0.22811
 23 O     0.00000   -0.01607   -0.08488
 24 O     0.00000   -0.00082    1.15069
 25 Pt   -0.00000    0.01697   -0.37923
 26 Pt    0.00000   -0.00016   -0.43501
 27 O    -1.69376    0.01340   -0.71782
 28 O     1.69376    0.01340   -0.71782
 29 O    -0.00000    0.04589   -1.38908
 30 O     0.00000   -0.00435    1.82532
 31 Pt   -0.00000    0.01895    0.50882
 32 Pt    0.00000   -0.14150    0.57828
 33 O    -1.61407   -0.01895    0.06990
 34 O     1.61407   -0.01895    0.06990
 35 O     0.00000   -0.03245   -0.52584
 36 O    -0.00000    0.21561   -0.12001
 37 Pt    0.00000   -0.30729   -0.04580
 38 Pt    0.00000   -0.00398   -0.01285
 39 O     0.01097    0.01142    0.01543
 40 O    -0.01097    0.01142    0.01543
 41 O     0.00000    0.00188   -0.01466
 42 O    -0.00000    0.03338   -0.01590
 43 Pt    0.00000   -0.00932    0.09070
 44 Pt    0.00000   -0.08055    0.01918
 45 O    -0.20157   -0.38136    0.21141
 46 O     0.20157   -0.38136    0.21141
 47 O     0.00000   -0.02323   -0.05065
 48 O    -0.00000    0.02229    1.17270
 49 Pt    0.00000   -0.02279   -0.37843
 50 Pt   -0.00000    0.02114   -0.43666
 51 O    -1.69309   -0.01393   -0.71800
 52 O     1.69309   -0.01393   -0.71800
 53 O     0.00000   -0.01181   -1.40502
 54 O     0.00000   -0.00206    1.76816
 55 Pt    0.00000   -0.01220    0.51410
 56 Pt   -0.00000    0.12403    0.65280
 57 O    -1.61423    0.01379    0.09075
 58 O     1.61423    0.01379    0.09075
 59 O     0.00000   -0.02121   -0.51727
 60 O     0.00000   -0.20530   -0.11687
 61 Pt   -0.00000    0.01041   -0.09291
 62 Pt   -0.00000    0.01716   -0.00802
 63 O    -0.01408   -0.00795    0.00256
 64 O     0.01408   -0.00795    0.00256
 65 O     0.00000   -0.00057   -0.00555
 66 O     0.00000   -0.01226   -0.00345
 67 Pt   -0.00000    0.00841    0.02337
 68 Pt   -0.00000    0.15403    0.01518
 69 O    -0.00882   -0.00338   -0.02604
 70 O     0.00882   -0.00338   -0.02604
 71 O    -0.00000    0.00807   -0.04924
 72 N     0.00000   -0.05125    0.17280
 73 N     0.00000   -0.03252    0.10232

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.224592   24.620407    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.271241   24.058852    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:04:58  -2.74   +inf  -414.378943    3      1      
iter:   2  09:07:10  -2.74  -2.53  -417.978830    3      1      
iter:   3  09:09:22  -3.12  -1.85  -414.262460    3      1      
iter:   4  09:11:33  -3.69  -2.98  -414.246423    3      1      
iter:   5  09:13:43  -4.15  -3.57  -414.241542    3      1      
iter:   6  09:15:54  -4.43  -3.65  -414.241055    3      1      
iter:   7  09:18:05  -4.67  -3.88  -414.240666    3      1      
iter:   8  09:20:14  -5.03  -3.83  -414.241193    3      1      
iter:   9  09:22:24  -5.52  -4.26  -414.241060    2      1      
iter:  10  09:24:36  -5.72  -4.36  -414.241415    2      1      
iter:  11  09:26:46  -6.00  -4.10  -414.240564    2      1      
iter:  12  09:28:56  -6.37  -4.36  -414.241431    2      1      
iter:  13  09:31:06  -6.57  -4.04  -414.240944    2      1      
iter:  14  09:33:16  -7.07  -4.71  -414.240931    2      1      
iter:  15  09:35:29  -7.00  -4.72  -414.241010    2      1      
iter:  16  09:37:41  -7.14  -4.89  -414.240939    2      1      
iter:  17  09:39:51  -7.54  -4.92  -414.241033    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962848, -32.573077, 0.039286) |e|*Ang

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

Kinetic:        +18.138244
Potential:     -137.061736
External:        +0.000000
XC:            -305.037588
Entropy (-ST):   -1.564921
Local:          +10.502507
--------------------------
Free energy:   -415.023494
Extrapolated:  -414.241033

Fermi level: -6.50146

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57072    0.14812
  0   340     -6.55589    0.14062
  0   341     -6.55490    0.14011
  0   342     -6.52679    0.12511

  1   339     -6.47604    0.19412
  1   340     -6.42762    0.14371
  1   341     -6.39220    0.11161
  1   342     -6.38853    0.10857



Forces in eV/Ang:
  0 O     0.00000   -0.01761    1.17460
  1 Pt    0.00000   -0.00230   -0.37573
  2 Pt    0.00000   -0.01907   -0.43410
  3 O    -1.68326    0.00022   -0.71822
  4 O     1.68326    0.00022   -0.71822
  5 O     0.00000   -0.01116   -1.38750
  6 O     0.00000   -0.00277    1.76774
  7 Pt   -0.00000    0.01410    0.45137
  8 Pt    0.00000   -0.04138    0.75703
  9 O    -1.58073    0.00050    0.05105
 10 O     1.58073    0.00050    0.05105
 11 O     0.00000   -0.00886   -0.56593
 12 O    -0.00000    0.00794    0.13281
 13 Pt   -0.00000    0.27663   -0.03644
 14 Pt    0.00000   -0.02002    0.00803
 15 O    -0.00002    0.01075    0.00364
 16 O     0.00002    0.01075    0.00364
 17 O    -0.00000    0.00677   -1.02676
 18 O    -0.00000    0.00101    0.02630
 19 Pt    0.00000   -0.02346    0.12199
 20 Pt    0.00000   -0.03666    0.15468
 21 O    -0.21228    0.38464    0.22672
 22 O     0.21228    0.38464    0.22672
 23 O     0.00000   -0.01558   -0.08559
 24 O     0.00000   -0.00081    1.15055
 25 Pt   -0.00000    0.01699   -0.37855
 26 Pt    0.00000   -0.00017   -0.43441
 27 O    -1.69179    0.01340   -0.71758
 28 O     1.69179    0.01340   -0.71758
 29 O    -0.00000    0.04582   -1.38920
 30 O     0.00000   -0.00446    1.83314
 31 Pt   -0.00000    0.01899    0.51132
 32 Pt    0.00000   -0.14153    0.58017
 33 O    -1.61350   -0.01894    0.07024
 34 O     1.61350   -0.01894    0.07024
 35 O     0.00000   -0.03251   -0.52475
 36 O    -0.00000    0.21550   -0.11928
 37 Pt    0.00000   -0.30742   -0.04228
 38 Pt    0.00000   -0.00376   -0.01028
 39 O     0.01090    0.01147    0.01585
 40 O    -0.01090    0.01147    0.01585
 41 O     0.00000    0.00244   -0.00417
 42 O    -0.00000    0.03303   -0.01654
 43 Pt    0.00000   -0.00910    0.09427
 44 Pt    0.00000   -0.08298    0.02457
 45 O    -0.20428   -0.38273    0.21379
 46 O     0.20428   -0.38273    0.21379
 47 O     0.00000   -0.02386   -0.05126
 48 O    -0.00000    0.02230    1.17255
 49 Pt    0.00000   -0.02279   -0.37784
 50 Pt   -0.00000    0.02116   -0.43613
 51 O    -1.69111   -0.01394   -0.71778
 52 O     1.69111   -0.01394   -0.71778
 53 O     0.00000   -0.01178   -1.40517
 54 O     0.00000   -0.00202    1.77596
 55 Pt    0.00000   -0.01221    0.51679
 56 Pt   -0.00000    0.12404    0.65476
 57 O    -1.61364    0.01378    0.09109
 58 O     1.61364    0.01378    0.09109
 59 O     0.00000   -0.02118   -0.51612
 60 O     0.00000   -0.20519   -0.11603
 61 Pt   -0.00000    0.01038   -0.08960
 62 Pt   -0.00000    0.01716   -0.00527
 63 O    -0.01435   -0.00791    0.00295
 64 O     0.01435   -0.00791    0.00295
 65 O     0.00000   -0.00065    0.00404
 66 O     0.00000   -0.01178   -0.00428
 67 Pt   -0.00000    0.00832    0.02492
 68 Pt   -0.00000    0.15532    0.01728
 69 O    -0.00970   -0.00360   -0.02629
 70 O     0.00970   -0.00360   -0.02629
 71 O    -0.00000    0.00820   -0.04997
 72 N     0.00000   -0.18656    0.00942
 73 N    -0.00000    0.12846    0.20716

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.205142   24.638033    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.257794   24.065871    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:48:24  -2.79   +inf  -414.248442    3      1      
iter:   2  09:50:35  -3.48  -3.09  -414.526026    3      1      
iter:   3  09:52:47  -3.88  -2.38  -414.246707    3      1      
iter:   4  09:54:57  -4.40  -3.70  -414.243039    3      1      
iter:   5  09:57:07  -4.54  -3.79  -414.243577    2      1      
iter:   6  09:59:18  -4.60  -3.66  -414.243122    3      1      
iter:   7  10:01:31  -5.17  -4.29  -414.242970    2      1      
iter:   8  10:03:43  -5.30  -4.29  -414.243087    3      1      
iter:   9  10:05:53  -5.54  -4.43  -414.242959    2      1      
iter:  10  10:08:03  -6.13  -4.63  -414.243075    2      1      
iter:  11  10:10:14  -6.61  -4.70  -414.242907    2      1      
iter:  12  10:12:27  -6.94  -4.50  -414.242973    2      1      
iter:  13  10:14:38  -7.10  -4.84  -414.243142    2      1      
iter:  14  10:16:49  -7.29  -4.60  -414.242983    2      1      
iter:  15  10:18:58  -7.64  -5.05  -414.243050    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963009, -32.574413, 0.039769) |e|*Ang

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

Kinetic:        +18.037165
Potential:     -136.982106
External:        +0.000000
XC:            -305.020816
Entropy (-ST):   -1.565069
Local:          +10.505241
--------------------------
Free energy:   -415.025585
Extrapolated:  -414.243050

Fermi level: -6.50118

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57050    0.14815
  0   340     -6.55556    0.14060
  0   341     -6.55458    0.14009
  0   342     -6.52661    0.12516

  1   339     -6.47580    0.19418
  1   340     -6.42728    0.14365
  1   341     -6.39195    0.11164
  1   342     -6.38835    0.10865



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17395
  1 Pt    0.00000   -0.00227   -0.37618
  2 Pt    0.00000   -0.01903   -0.43494
  3 O    -1.68277    0.00026   -0.71886
  4 O     1.68277    0.00026   -0.71886
  5 O     0.00000   -0.01116   -1.38809
  6 O     0.00000   -0.00284    1.76822
  7 Pt   -0.00000    0.01410    0.45156
  8 Pt    0.00000   -0.04149    0.75707
  9 O    -1.58102    0.00042    0.05145
 10 O     1.58102    0.00042    0.05145
 11 O     0.00000   -0.00890   -0.56624
 12 O    -0.00000    0.00789    0.13232
 13 Pt   -0.00000    0.27649   -0.03728
 14 Pt    0.00000   -0.01997    0.00724
 15 O    -0.00025    0.01084    0.00399
 16 O     0.00025    0.01084    0.00399
 17 O    -0.00000    0.00699   -1.02952
 18 O    -0.00000    0.00098    0.02658
 19 Pt    0.00000   -0.02319    0.12307
 20 Pt    0.00000   -0.03862    0.15223
 21 O    -0.21186    0.38446    0.22949
 22 O     0.21186    0.38446    0.22949
 23 O     0.00000   -0.01612   -0.08427
 24 O     0.00000   -0.00085    1.14990
 25 Pt   -0.00000    0.01698   -0.37904
 26 Pt    0.00000   -0.00023   -0.43522
 27 O    -1.69132    0.01338   -0.71824
 28 O     1.69132    0.01338   -0.71824
 29 O    -0.00000    0.04583   -1.38976
 30 O     0.00000   -0.00436    1.83364
 31 Pt   -0.00000    0.01897    0.51148
 32 Pt    0.00000   -0.14137    0.58026
 33 O    -1.61374   -0.01891    0.07062
 34 O     1.61374   -0.01891    0.07062
 35 O     0.00000   -0.03243   -0.52512
 36 O    -0.00000    0.21551   -0.11976
 37 Pt    0.00000   -0.30727   -0.04319
 38 Pt    0.00000   -0.00385   -0.01102
 39 O     0.01065    0.01141    0.01629
 40 O    -0.01065    0.01141    0.01629
 41 O     0.00000    0.00273   -0.00710
 42 O    -0.00000    0.03340   -0.01633
 43 Pt    0.00000   -0.00917    0.09483
 44 Pt    0.00000   -0.08211    0.02356
 45 O    -0.20358   -0.38286    0.21657
 46 O     0.20358   -0.38286    0.21657
 47 O     0.00000   -0.02342   -0.05025
 48 O    -0.00000    0.02231    1.17190
 49 Pt    0.00000   -0.02282   -0.37826
 50 Pt   -0.00000    0.02118   -0.43691
 51 O    -1.69061   -0.01397   -0.71840
 52 O     1.69061   -0.01397   -0.71840
 53 O     0.00000   -0.01180   -1.40565
 54 O     0.00000   -0.00205    1.77665
 55 Pt    0.00000   -0.01218    0.51695
 56 Pt   -0.00000    0.12400    0.65479
 57 O    -1.61395    0.01383    0.09148
 58 O     1.61395    0.01383    0.09148
 59 O     0.00000   -0.02122   -0.51655
 60 O     0.00000   -0.20515   -0.11660
 61 Pt   -0.00000    0.01036   -0.09023
 62 Pt   -0.00000    0.01718   -0.00605
 63 O    -0.01454   -0.00795    0.00330
 64 O     0.01454   -0.00795    0.00330
 65 O     0.00000   -0.00075    0.00199
 66 O     0.00000   -0.01209   -0.00411
 67 Pt   -0.00000    0.00821    0.02546
 68 Pt   -0.00000    0.15513    0.01843
 69 O    -0.00945   -0.00359   -0.02426
 70 O     0.00945   -0.00359   -0.02426
 71 O    -0.00000    0.00836   -0.04828
 72 N     0.00000   -0.26149   -0.02178
 73 N    -0.00000    0.17212    0.22378

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.185430   24.655677    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.244431   24.072986    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:27:30  -2.81   +inf  -414.249723    3      1      
iter:   2  10:29:40  -3.61  -3.32  -414.335044    3      1      
iter:   3  10:31:53  -4.06  -2.63  -414.246601    2      1      
iter:   4  10:34:02  -4.49  -3.84  -414.248800    3      1      
iter:   5  10:36:12  -4.46  -3.80  -414.245505    3      1      
iter:   6  10:38:22  -4.66  -3.81  -414.246523    2      1      
iter:   7  10:40:34  -5.20  -4.20  -414.246261    2      1      
iter:   8  10:42:44  -5.40  -4.37  -414.246414    3      1      
iter:   9  10:44:54  -5.84  -4.52  -414.246438    2      1      
iter:  10  10:47:04  -6.37  -4.35  -414.246121    2      1      
iter:  11  10:49:16  -6.65  -4.44  -414.246393    2      1      
iter:  12  10:51:26  -7.06  -4.72  -414.246171    2      1      
iter:  13  10:53:36  -7.12  -4.64  -414.246311    2      1      
iter:  14  10:55:48  -7.44  -4.92  -414.246308    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963024, -32.575553, 0.040032) |e|*Ang

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

Kinetic:        +18.001636
Potential:     -136.958350
External:        +0.000000
XC:            -305.012083
Entropy (-ST):   -1.565084
Local:          +10.505030
--------------------------
Free energy:   -415.028850
Extrapolated:  -414.246308

Fermi level: -6.50084

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57015    0.14815
  0   340     -6.55521    0.14059
  0   341     -6.55424    0.14009
  0   342     -6.52632    0.12519

  1   339     -6.47547    0.19419
  1   340     -6.42692    0.14364
  1   341     -6.39165    0.11168
  1   342     -6.38807    0.10871



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17403
  1 Pt    0.00000   -0.00233   -0.37585
  2 Pt    0.00000   -0.01910   -0.43411
  3 O    -1.68282    0.00020   -0.71868
  4 O     1.68282    0.00020   -0.71868
  5 O     0.00000   -0.01116   -1.38817
  6 O     0.00000   -0.00286    1.76892
  7 Pt   -0.00000    0.01429    0.45142
  8 Pt    0.00000   -0.04145    0.75743
  9 O    -1.58093    0.00059    0.05147
 10 O     1.58093    0.00059    0.05147
 11 O     0.00000   -0.00885   -0.56622
 12 O    -0.00000    0.00809    0.13192
 13 Pt   -0.00000    0.27614   -0.03784
 14 Pt    0.00000   -0.01983    0.00674
 15 O    -0.00024    0.01091    0.00365
 16 O     0.00024    0.01091    0.00365
 17 O    -0.00000    0.00700   -1.03018
 18 O    -0.00000    0.00116    0.02659
 19 Pt    0.00000   -0.02366    0.12266
 20 Pt    0.00000   -0.03821    0.15461
 21 O    -0.21157    0.38419    0.22986
 22 O     0.21157    0.38419    0.22986
 23 O     0.00000   -0.01598   -0.08406
 24 O     0.00000   -0.00078    1.15000
 25 Pt   -0.00000    0.01701   -0.37869
 26 Pt    0.00000   -0.00013   -0.43441
 27 O    -1.69134    0.01340   -0.71807
 28 O     1.69134    0.01340   -0.71807
 29 O    -0.00000    0.04584   -1.38988
 30 O     0.00000   -0.00429    1.83415
 31 Pt   -0.00000    0.01888    0.51159
 32 Pt    0.00000   -0.14145    0.58051
 33 O    -1.61364   -0.01900    0.07070
 34 O     1.61364   -0.01900    0.07070
 35 O     0.00000   -0.03250   -0.52517
 36 O    -0.00000    0.21513   -0.11979
 37 Pt    0.00000   -0.30709   -0.04420
 38 Pt    0.00000   -0.00406   -0.01118
 39 O     0.01051    0.01136    0.01590
 40 O    -0.01051    0.01136    0.01590
 41 O     0.00000    0.00329   -0.00806
 42 O    -0.00000    0.03326   -0.01627
 43 Pt    0.00000   -0.00899    0.09574
 44 Pt    0.00000   -0.08363    0.02497
 45 O    -0.20470   -0.38353    0.21917
 46 O     0.20470   -0.38353    0.21917
 47 O     0.00000   -0.02353   -0.05031
 48 O    -0.00000    0.02229    1.17203
 49 Pt    0.00000   -0.02279   -0.37793
 50 Pt   -0.00000    0.02114   -0.43615
 51 O    -1.69066   -0.01392   -0.71822
 52 O     1.69066   -0.01392   -0.71822
 53 O     0.00000   -0.01181   -1.40573
 54 O     0.00000   -0.00211    1.77681
 55 Pt    0.00000   -0.01228    0.51666
 56 Pt   -0.00000    0.12403    0.65483
 57 O    -1.61383    0.01374    0.09147
 58 O     1.61383    0.01374    0.09147
 59 O     0.00000   -0.02121   -0.51675
 60 O     0.00000   -0.20497   -0.11638
 61 Pt   -0.00000    0.01048   -0.09044
 62 Pt   -0.00000    0.01726   -0.00566
 63 O    -0.01429   -0.00799    0.00308
 64 O     0.01429   -0.00799    0.00308
 65 O     0.00000   -0.00098    0.00172
 66 O     0.00000   -0.01210   -0.00397
 67 Pt   -0.00000    0.00851    0.02499
 68 Pt   -0.00000    0.15518    0.01793
 69 O    -0.00909   -0.00334   -0.02401
 70 O     0.00909   -0.00334   -0.02401
 71 O    -0.00000    0.00833   -0.04851
 72 N     0.00000   -0.21104   -0.08881
 73 N    -0.00000    0.19543    0.19835

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.166212   24.672474    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.231686   24.079488    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:08:16  -2.85   +inf  -414.252463    3      1      
iter:   2  11:10:26  -3.66  -3.33  -414.328795    3      1      
iter:   3  11:12:38  -4.10  -2.65  -414.247813    2      1      
iter:   4  11:14:48  -4.54  -3.73  -414.250610    3      1      
iter:   5  11:16:58  -4.47  -3.82  -414.247565    3      1      
iter:   6  11:19:08  -4.69  -3.84  -414.248318    2      1      
iter:   7  11:21:20  -5.23  -4.15  -414.248229    2      1      
iter:   8  11:23:29  -5.45  -4.25  -414.248394    2      1      
iter:   9  11:25:40  -5.66  -3.86  -414.248322    2      1      
iter:  10  11:27:50  -6.28  -4.34  -414.247945    2      1      
iter:  11  11:30:01  -6.76  -4.59  -414.248299    2      1      
iter:  12  11:32:10  -7.07  -4.79  -414.248076    2      1      
iter:  13  11:34:21  -7.13  -4.73  -414.248133    2      1      
iter:  14  11:36:33  -7.33  -5.03  -414.248162    2      1      
iter:  15  11:38:43  -7.62  -5.25  -414.248164    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963032, -32.576658, 0.039922) |e|*Ang

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

Kinetic:        +17.984896
Potential:     -136.952020
External:        +0.000000
XC:            -305.006746
Entropy (-ST):   -1.565069
Local:          +10.508240
--------------------------
Free energy:   -415.030699
Extrapolated:  -414.248164

Fermi level: -6.50104

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57034    0.14814
  0   340     -6.55541    0.14060
  0   341     -6.55442    0.14009
  0   342     -6.52656    0.12522

  1   339     -6.47565    0.19417
  1   340     -6.42712    0.14364
  1   341     -6.39187    0.11170
  1   342     -6.38830    0.10873



Forces in eV/Ang:
  0 O     0.00000   -0.01761    1.17402
  1 Pt    0.00000   -0.00229   -0.37604
  2 Pt    0.00000   -0.01905   -0.43444
  3 O    -1.68286    0.00023   -0.71861
  4 O     1.68286    0.00023   -0.71861
  5 O     0.00000   -0.01110   -1.38777
  6 O     0.00000   -0.00276    1.76854
  7 Pt   -0.00000    0.01400    0.45186
  8 Pt    0.00000   -0.04147    0.75735
  9 O    -1.58103    0.00041    0.05156
 10 O     1.58103    0.00041    0.05156
 11 O     0.00000   -0.00886   -0.56630
 12 O    -0.00000    0.00788    0.13210
 13 Pt   -0.00000    0.27670   -0.03725
 14 Pt    0.00000   -0.02024    0.00700
 15 O    -0.00024    0.01076    0.00366
 16 O     0.00024    0.01076    0.00366
 17 O    -0.00000    0.00717   -1.02927
 18 O    -0.00000    0.00066    0.02647
 19 Pt    0.00000   -0.02305    0.12277
 20 Pt    0.00000   -0.04008    0.15314
 21 O    -0.21196    0.38486    0.22924
 22 O     0.21196    0.38486    0.22924
 23 O     0.00000   -0.01593   -0.08376
 24 O     0.00000   -0.00082    1.14996
 25 Pt   -0.00000    0.01700   -0.37880
 26 Pt    0.00000   -0.00022   -0.43473
 27 O    -1.69139    0.01339   -0.71797
 28 O     1.69139    0.01339   -0.71797
 29 O    -0.00000    0.04573   -1.38953
 30 O     0.00000   -0.00453    1.83405
 31 Pt   -0.00000    0.01904    0.51176
 32 Pt    0.00000   -0.14141    0.58066
 33 O    -1.61376   -0.01889    0.07070
 34 O     1.61376   -0.01889    0.07070
 35 O     0.00000   -0.03251   -0.52504
 36 O    -0.00000    0.21563   -0.12014
 37 Pt    0.00000   -0.30747   -0.04341
 38 Pt    0.00000   -0.00347   -0.01148
 39 O     0.01079    0.01150    0.01590
 40 O    -0.01079    0.01150    0.01590
 41 O     0.00000    0.00330   -0.00703
 42 O    -0.00000    0.03359   -0.01640
 43 Pt    0.00000   -0.00892    0.09705
 44 Pt    0.00000   -0.08330    0.02651
 45 O    -0.20539   -0.38397    0.22180
 46 O     0.20539   -0.38397    0.22180
 47 O     0.00000   -0.02362   -0.04983
 48 O    -0.00000    0.02231    1.17194
 49 Pt    0.00000   -0.02283   -0.37815
 50 Pt   -0.00000    0.02118   -0.43647
 51 O    -1.69070   -0.01394   -0.71817
 52 O     1.69070   -0.01394   -0.71817
 53 O     0.00000   -0.01176   -1.40543
 54 O     0.00000   -0.00196    1.77715
 55 Pt    0.00000   -0.01213    0.51737
 56 Pt   -0.00000    0.12402    0.65524
 57 O    -1.61394    0.01381    0.09160
 58 O     1.61394    0.01381    0.09160
 59 O     0.00000   -0.02122   -0.51634
 60 O     0.00000   -0.20528   -0.11680
 61 Pt   -0.00000    0.01026   -0.09050
 62 Pt   -0.00000    0.01709   -0.00652
 63 O    -0.01471   -0.00794    0.00296
 64 O     0.01471   -0.00794    0.00296
 65 O     0.00000   -0.00070    0.00093
 66 O     0.00000   -0.01186   -0.00434
 67 Pt   -0.00000    0.00791    0.02550
 68 Pt   -0.00000    0.15554    0.01813
 69 O    -0.00946   -0.00395   -0.02409
 70 O     0.00946   -0.00395   -0.02409
 71 O    -0.00000    0.00837   -0.04791
 72 N     0.00000   -0.19255   -0.05066
 73 N    -0.00000    0.21386    0.20535

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.147074   24.689340    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.219298   24.085383    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:51:09  -2.87   +inf  -414.252767    3      1      
iter:   2  11:53:20  -3.66  -3.33  -414.335409    3      1      
iter:   3  11:55:32  -4.10  -2.63  -414.249867    2      1      
iter:   4  11:57:43  -4.53  -3.87  -414.251976    3      1      
iter:   5  11:59:54  -4.52  -3.81  -414.248780    3      1      
iter:   6  12:02:04  -4.72  -3.85  -414.249815    2      1      
iter:   7  12:04:15  -5.26  -4.24  -414.249568    2      1      
iter:   8  12:06:25  -5.46  -4.35  -414.249645    3      1      
iter:   9  12:08:36  -5.87  -4.48  -414.249688    2      1      
iter:  10  12:10:47  -6.43  -4.40  -414.249425    2      1      
iter:  11  12:13:00  -6.80  -4.58  -414.249665    2      1      
iter:  12  12:15:11  -7.07  -4.73  -414.249449    2      1      
iter:  13  12:17:21  -7.14  -4.67  -414.249566    2      1      
iter:  14  12:19:32  -7.45  -4.84  -414.249567    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963028, -32.577793, 0.039822) |e|*Ang

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

Kinetic:        +17.946953
Potential:     -136.929556
External:        +0.000000
XC:            -304.993975
Entropy (-ST):   -1.565093
Local:          +10.509558
--------------------------
Free energy:   -415.032113
Extrapolated:  -414.249567

Fermi level: -6.50107

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57043    0.14817
  0   340     -6.55541    0.14058
  0   341     -6.55444    0.14008
  0   342     -6.52667    0.12526

  1   339     -6.47571    0.19419
  1   340     -6.42712    0.14361
  1   341     -6.39196    0.11174
  1   342     -6.38839    0.10878



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17405
  1 Pt    0.00000   -0.00230   -0.37570
  2 Pt    0.00000   -0.01911   -0.43413
  3 O    -1.68287    0.00016   -0.71859
  4 O     1.68287    0.00016   -0.71859
  5 O     0.00000   -0.01112   -1.38803
  6 O     0.00000   -0.00282    1.76873
  7 Pt   -0.00000    0.01425    0.45161
  8 Pt    0.00000   -0.04146    0.75743
  9 O    -1.58108    0.00059    0.05152
 10 O     1.58108    0.00059    0.05152
 11 O     0.00000   -0.00884   -0.56620
 12 O    -0.00000    0.00807    0.13167
 13 Pt   -0.00000    0.27615   -0.03771
 14 Pt    0.00000   -0.01996    0.00658
 15 O    -0.00042    0.01088    0.00370
 16 O     0.00042    0.01088    0.00370
 17 O    -0.00000    0.00726   -1.02945
 18 O    -0.00000    0.00102    0.02656
 19 Pt    0.00000   -0.02363    0.12219
 20 Pt    0.00000   -0.04025    0.15290
 21 O    -0.21175    0.38454    0.22938
 22 O     0.21175    0.38454    0.22938
 23 O     0.00000   -0.01620   -0.08377
 24 O     0.00000   -0.00078    1.15000
 25 Pt   -0.00000    0.01702   -0.37849
 26 Pt    0.00000   -0.00011   -0.43447
 27 O    -1.69136    0.01342   -0.71798
 28 O     1.69136    0.01342   -0.71798
 29 O    -0.00000    0.04577   -1.38980
 30 O     0.00000   -0.00443    1.83388
 31 Pt   -0.00000    0.01893    0.51175
 32 Pt    0.00000   -0.14149    0.58065
 33 O    -1.61381   -0.01898    0.07073
 34 O     1.61381   -0.01898    0.07073
 35 O     0.00000   -0.03253   -0.52500
 36 O    -0.00000    0.21519   -0.12006
 37 Pt    0.00000   -0.30708   -0.04425
 38 Pt    0.00000   -0.00380   -0.01150
 39 O     0.01037    0.01144    0.01597
 40 O    -0.01037    0.01144    0.01597
 41 O     0.00000    0.00373   -0.00859
 42 O    -0.00000    0.03339   -0.01625
 43 Pt    0.00000   -0.00874    0.09652
 44 Pt    0.00000   -0.08429    0.02568
 45 O    -0.20611   -0.38458    0.22280
 46 O     0.20611   -0.38458    0.22280
 47 O     0.00000   -0.02335   -0.05009
 48 O    -0.00000    0.02230    1.17203
 49 Pt    0.00000   -0.02282   -0.37782
 50 Pt   -0.00000    0.02114   -0.43628
 51 O    -1.69073   -0.01390   -0.71814
 52 O     1.69073   -0.01390   -0.71814
 53 O     0.00000   -0.01179   -1.40562
 54 O     0.00000   -0.00201    1.77642
 55 Pt    0.00000   -0.01227    0.51699
 56 Pt   -0.00000    0.12409    0.65502
 57 O    -1.61395    0.01373    0.09155
 58 O     1.61395    0.01373    0.09155
 59 O     0.00000   -0.02119   -0.51648
 60 O     0.00000   -0.20503   -0.11646
 61 Pt   -0.00000    0.01043   -0.09056
 62 Pt   -0.00000    0.01715   -0.00597
 63 O    -0.01463   -0.00802    0.00315
 64 O     0.01463   -0.00802    0.00315
 65 O     0.00000   -0.00099    0.00032
 66 O     0.00000   -0.01203   -0.00399
 67 Pt   -0.00000    0.00835    0.02462
 68 Pt   -0.00000    0.15562    0.01760
 69 O    -0.00904   -0.00355   -0.02421
 70 O     0.00904   -0.00355   -0.02421
 71 O    -0.00000    0.00836   -0.04807
 72 N     0.00000   -0.25649   -0.00327
 73 N    -0.00000    0.19729    0.19422

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.126993   24.707222    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.206603   24.091338    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:32:04  -2.83   +inf  -414.255373    3      1      
iter:   2  12:34:17  -3.65  -3.46  -414.290862    3      1      
iter:   3  12:36:29  -4.11  -2.80  -414.251941    2      1      
iter:   4  12:38:39  -4.52  -3.75  -414.254796    3      1      
iter:   5  12:40:51  -4.47  -3.82  -414.251992    3      1      
iter:   6  12:43:01  -4.67  -3.99  -414.252467    2      1      
iter:   7  12:45:14  -5.16  -4.17  -414.252672    2      1      
iter:   8  12:47:24  -5.56  -4.08  -414.252731    2      1      
iter:   9  12:49:34  -5.76  -3.97  -414.252549    2      1      
iter:  10  12:51:44  -6.07  -4.43  -414.252505    2      1      
iter:  11  12:53:56  -6.45  -4.75  -414.252286    2      1      
iter:  12  12:56:06  -7.07  -4.61  -414.252720    2      1      
iter:  13  12:58:16  -7.05  -4.60  -414.252357    2      1      
iter:  14  13:00:25  -7.17  -4.97  -414.252389    2      1      
iter:  15  13:02:35  -7.68  -4.80  -414.252429    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963015, -32.579398, 0.041320) |e|*Ang

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

Kinetic:        +17.871513
Potential:     -136.876119
External:        +0.000000
XC:            -304.975670
Entropy (-ST):   -1.564989
Local:          +10.510341
--------------------------
Free energy:   -415.034924
Extrapolated:  -414.252429

Fermi level: -6.50072

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57062    0.14843
  0   340     -6.55467    0.14038
  0   341     -6.55363    0.13984
  0   342     -6.52651    0.12536

  1   339     -6.47501    0.19381
  1   340     -6.42650    0.14334
  1   341     -6.39154    0.11168
  1   342     -6.38816    0.10888



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17469
  1 Pt    0.00000   -0.00228   -0.37665
  2 Pt    0.00000   -0.01908   -0.43484
  3 O    -1.68548    0.00019   -0.71840
  4 O     1.68548    0.00019   -0.71840
  5 O     0.00000   -0.01112   -1.38754
  6 O     0.00000   -0.00289    1.75902
  7 Pt   -0.00000    0.01435    0.44813
  8 Pt    0.00000   -0.04153    0.75500
  9 O    -1.58117    0.00066    0.05072
 10 O     1.58117    0.00066    0.05072
 11 O     0.00000   -0.00886   -0.56677
 12 O    -0.00000    0.00808    0.13113
 13 Pt   -0.00000    0.27600   -0.04002
 14 Pt    0.00000   -0.01994    0.00488
 15 O     0.00020    0.01084    0.00319
 16 O    -0.00020    0.01084    0.00319
 17 O    -0.00000    0.00714   -1.03540
 18 O    -0.00000    0.00114    0.02714
 19 Pt    0.00000   -0.02389    0.12085
 20 Pt    0.00000   -0.03950    0.15354
 21 O    -0.21094    0.38397    0.22875
 22 O     0.21094    0.38397    0.22875
 23 O     0.00000   -0.01581   -0.08345
 24 O     0.00000   -0.00077    1.15066
 25 Pt   -0.00000    0.01701   -0.37946
 26 Pt    0.00000   -0.00014   -0.43515
 27 O    -1.69401    0.01340   -0.71778
 28 O     1.69401    0.01340   -0.71778
 29 O    -0.00000    0.04582   -1.38941
 30 O     0.00000   -0.00427    1.82417
 31 Pt   -0.00000    0.01886    0.50830
 32 Pt    0.00000   -0.14137    0.57824
 33 O    -1.61384   -0.01904    0.06991
 34 O     1.61384   -0.01904    0.06991
 35 O     0.00000   -0.03246   -0.52568
 36 O    -0.00000    0.21550   -0.12070
 37 Pt    0.00000   -0.30709   -0.04681
 38 Pt    0.00000   -0.00385   -0.01293
 39 O     0.01088    0.01142    0.01538
 40 O    -0.01088    0.01142    0.01538
 41 O    -0.00000    0.00406   -0.01568
 42 O    -0.00000    0.03349   -0.01575
 43 Pt    0.00000   -0.00859    0.09670
 44 Pt    0.00000   -0.08547    0.02715
 45 O    -0.20636   -0.38467    0.22470
 46 O     0.20636   -0.38467    0.22470
 47 O     0.00000   -0.02349   -0.04968
 48 O    -0.00000    0.02229    1.17270
 49 Pt    0.00000   -0.02283   -0.37875
 50 Pt   -0.00000    0.02114   -0.43695
 51 O    -1.69334   -0.01391   -0.71794
 52 O     1.69334   -0.01391   -0.71794
 53 O     0.00000   -0.01183   -1.40519
 54 O     0.00000   -0.00210    1.76682
 55 Pt    0.00000   -0.01231    0.51342
 56 Pt   -0.00000    0.12403    0.65248
 57 O    -1.61405    0.01370    0.09075
 58 O     1.61405    0.01370    0.09075
 59 O     0.00000   -0.02124   -0.51727
 60 O     0.00000   -0.20540   -0.11690
 61 Pt   -0.00000    0.01054   -0.09282
 62 Pt   -0.00000    0.01715   -0.00715
 63 O    -0.01391   -0.00793    0.00262
 64 O     0.01391   -0.00793    0.00262
 65 O     0.00000   -0.00095   -0.00597
 66 O     0.00000   -0.01225   -0.00359
 67 Pt   -0.00000    0.00847    0.02370
 68 Pt   -0.00000    0.15540    0.01649
 69 O    -0.00804   -0.00348   -0.02458
 70 O     0.00804   -0.00348   -0.02458
 71 O    -0.00000    0.00808   -0.04805
 72 N     0.00000   -0.28312   -0.10430
 73 N    -0.00000    0.25477    0.20688

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.106572   24.723521    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.194171   24.096839    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:15:05  -2.83   +inf  -414.477497    3      1      
iter:   2  13:17:16  -2.56  -2.43  -419.971671    4      1      
iter:   3  13:19:27  -2.96  -1.77  -414.300804    4      1      
iter:   4  13:21:38  -3.48  -2.79  -414.262688    3      1      
iter:   5  13:23:49  -4.03  -3.44  -414.256685    3      1      
iter:   6  13:26:00  -4.39  -3.54  -414.254942    3      1      
iter:   7  13:28:12  -4.60  -3.67  -414.254303    3      1      
iter:   8  13:30:23  -5.01  -3.85  -414.254810    3      1      
iter:   9  13:32:32  -5.47  -4.20  -414.254465    2      1      
iter:  10  13:34:42  -5.67  -4.27  -414.254998    2      1      
iter:  11  13:36:53  -5.93  -4.17  -414.253733    3      1      
iter:  12  13:39:07  -6.24  -4.14  -414.254636    2      1      
iter:  13  13:41:19  -6.46  -4.27  -414.254404    2      1      
iter:  14  13:43:32  -6.61  -4.67  -414.254356    2      1      
iter:  15  13:45:41  -6.92  -4.65  -414.254404    2      1      
iter:  16  13:47:52  -7.38  -4.95  -414.254319    2      1      
iter:  17  13:50:02  -7.42  -4.68  -414.254525    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962915, -32.580198, 0.039095) |e|*Ang

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

Kinetic:        +17.966223
Potential:     -136.958934
External:        +0.000000
XC:            -304.990269
Entropy (-ST):   -1.564734
Local:          +10.510823
--------------------------
Free energy:   -415.036892
Extrapolated:  -414.254525

Fermi level: -6.50175

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57099    0.14811
  0   340     -6.55617    0.14062
  0   341     -6.55520    0.14012
  0   342     -6.52735    0.12526

  1   339     -6.47622    0.19401
  1   340     -6.42788    0.14369
  1   341     -6.39270    0.11179
  1   342     -6.38903    0.10874



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17464
  1 Pt    0.00000   -0.00228   -0.37607
  2 Pt    0.00000   -0.01908   -0.43471
  3 O    -1.68337    0.00022   -0.71855
  4 O     1.68337    0.00022   -0.71855
  5 O     0.00000   -0.01108   -1.38805
  6 O     0.00000   -0.00279    1.76663
  7 Pt   -0.00000    0.01413    0.45086
  8 Pt    0.00000   -0.04155    0.75662
  9 O    -1.58094    0.00049    0.05086
 10 O     1.58094    0.00049    0.05086
 11 O     0.00000   -0.00885   -0.56584
 12 O    -0.00000    0.00802    0.13188
 13 Pt   -0.00000    0.27662   -0.03593
 14 Pt    0.00000   -0.02016    0.00825
 15 O    -0.00002    0.01082    0.00376
 16 O     0.00002    0.01082    0.00376
 17 O    -0.00000    0.00740   -1.02658
 18 O    -0.00000    0.00078    0.02682
 19 Pt    0.00000   -0.02328    0.12185
 20 Pt    0.00000   -0.04020    0.15503
 21 O    -0.21193    0.38499    0.22819
 22 O     0.21193    0.38499    0.22819
 23 O     0.00000   -0.01506   -0.08443
 24 O     0.00000   -0.00077    1.15058
 25 Pt   -0.00000    0.01702   -0.37883
 26 Pt    0.00000   -0.00017   -0.43501
 27 O    -1.69190    0.01339   -0.71792
 28 O     1.69190    0.01339   -0.71792
 29 O    -0.00000    0.04573   -1.38991
 30 O     0.00000   -0.00446    1.83198
 31 Pt   -0.00000    0.01897    0.51087
 32 Pt    0.00000   -0.14136    0.57994
 33 O    -1.61364   -0.01894    0.07005
 34 O     1.61364   -0.01894    0.07005
 35 O     0.00000   -0.03253   -0.52464
 36 O    -0.00000    0.21564   -0.12040
 37 Pt    0.00000   -0.30734   -0.04268
 38 Pt    0.00000   -0.00358   -0.00997
 39 O     0.01094    0.01149    0.01599
 40 O    -0.01094    0.01149    0.01599
 41 O     0.00000    0.00402   -0.00529
 42 O    -0.00000    0.03343   -0.01599
 43 Pt    0.00000   -0.00856    0.10024
 44 Pt    0.00000   -0.08649    0.03258
 45 O    -0.20798   -0.38564    0.22896
 46 O     0.20798   -0.38564    0.22896
 47 O     0.00000   -0.02415   -0.05009
 48 O    -0.00000    0.02230    1.17259
 49 Pt    0.00000   -0.02284   -0.37819
 50 Pt   -0.00000    0.02116   -0.43680
 51 O    -1.69122   -0.01393   -0.71812
 52 O     1.69122   -0.01393   -0.71812
 53 O     0.00000   -0.01179   -1.40569
 54 O     0.00000   -0.00199    1.77489
 55 Pt    0.00000   -0.01220    0.51631
 56 Pt   -0.00000    0.12404    0.65432
 57 O    -1.61383    0.01377    0.09091
 58 O     1.61383    0.01377    0.09091
 59 O     0.00000   -0.02118   -0.51598
 60 O     0.00000   -0.20547   -0.11689
 61 Pt   -0.00000    0.01017   -0.08943
 62 Pt   -0.00000    0.01710   -0.00472
 63 O    -0.01444   -0.00798    0.00308
 64 O     0.01444   -0.00798    0.00308
 65 O     0.00000   -0.00080    0.00304
 66 O     0.00000   -0.01181   -0.00403
 67 Pt   -0.00000    0.00788    0.02561
 68 Pt   -0.00000    0.15625    0.01806
 69 O    -0.00915   -0.00403   -0.02403
 70 O     0.00915   -0.00403   -0.02403
 71 O    -0.00000    0.00806   -0.04860
 72 N     0.00000   -0.22613   -0.02131
 73 N    -0.00000    0.21768    0.21348

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.085399   24.739261    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.181684   24.101775    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:54:40  -2.83   +inf  -414.254759    3      1      
iter:   2  13:56:54  -3.67  -3.57  -414.275061    3      1      
iter:   3  13:59:06  -4.13  -3.02  -414.259738    3      1      
iter:   4  14:01:16  -4.54  -3.52  -414.256365    3      1      
iter:   5  14:03:28  -4.50  -3.83  -414.256475    3      1      
iter:   6  14:05:41  -4.70  -3.69  -414.256282    3      1      
iter:   7  14:07:52  -5.13  -4.27  -414.256204    2      1      
iter:   8  14:10:02  -5.39  -4.14  -414.256548    3      1      
iter:   9  14:12:12  -5.80  -4.28  -414.255566    3      1      
iter:  10  14:14:23  -6.13  -4.21  -414.256584    2      1      
iter:  11  14:16:33  -6.59  -4.42  -414.256257    2      1      
iter:  12  14:18:43  -6.93  -4.88  -414.256148    2      1      
iter:  13  14:20:55  -7.03  -4.64  -414.256134    2      1      
iter:  14  14:23:05  -7.29  -4.81  -414.256176    2      1      
iter:  15  14:25:14  -7.48  -4.78  -414.256284    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963051, -32.582491, 0.040759) |e|*Ang

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

Kinetic:        +18.041442
Potential:     -137.013645
External:        +0.000000
XC:            -305.014405
Entropy (-ST):   -1.564891
Local:          +10.512769
--------------------------
Free energy:   -415.038730
Extrapolated:  -414.256284

Fermi level: -6.50047

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56969    0.14810
  0   340     -6.55485    0.14060
  0   341     -6.55387    0.14009
  0   342     -6.52611    0.12527

  1   339     -6.47504    0.19411
  1   340     -6.42658    0.14366
  1   341     -6.39144    0.11180
  1   342     -6.38775    0.10875



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17385
  1 Pt    0.00000   -0.00225   -0.37690
  2 Pt    0.00000   -0.01906   -0.43539
  3 O    -1.68305    0.00024   -0.71893
  4 O     1.68305    0.00024   -0.71893
  5 O     0.00000   -0.01109   -1.38809
  6 O     0.00000   -0.00281    1.76767
  7 Pt   -0.00000    0.01411    0.45140
  8 Pt    0.00000   -0.04160    0.75761
  9 O    -1.58079    0.00045    0.05120
 10 O     1.58079    0.00045    0.05120
 11 O     0.00000   -0.00886   -0.56640
 12 O    -0.00000    0.00800    0.13154
 13 Pt   -0.00000    0.27636   -0.03671
 14 Pt    0.00000   -0.02017    0.00697
 15 O     0.00008    0.01093    0.00374
 16 O    -0.00008    0.01093    0.00374
 17 O    -0.00000    0.00752   -1.02755
 18 O    -0.00000    0.00067    0.02686
 19 Pt    0.00000   -0.02296    0.12376
 20 Pt    0.00000   -0.04167    0.15451
 21 O    -0.21177    0.38469    0.23015
 22 O     0.21177    0.38469    0.23015
 23 O     0.00000   -0.01535   -0.08239
 24 O     0.00000   -0.00079    1.14980
 25 Pt   -0.00000    0.01701   -0.37967
 26 Pt    0.00000   -0.00020   -0.43565
 27 O    -1.69158    0.01339   -0.71830
 28 O     1.69158    0.01339   -0.71830
 29 O    -0.00000    0.04574   -1.38986
 30 O     0.00000   -0.00439    1.83306
 31 Pt   -0.00000    0.01896    0.51139
 32 Pt    0.00000   -0.14126    0.58087
 33 O    -1.61347   -0.01891    0.07037
 34 O     1.61347   -0.01891    0.07037
 35 O     0.00000   -0.03249   -0.52521
 36 O    -0.00000    0.21546   -0.12067
 37 Pt    0.00000   -0.30708   -0.04354
 38 Pt    0.00000   -0.00367   -0.01132
 39 O     0.01104    0.01141    0.01600
 40 O    -0.01104    0.01141    0.01600
 41 O    -0.00000    0.00429   -0.00597
 42 O    -0.00000    0.03371   -0.01609
 43 Pt    0.00000   -0.00871    0.10187
 44 Pt    0.00000   -0.08587    0.03318
 45 O    -0.20786   -0.38566    0.23131
 46 O     0.20786   -0.38566    0.23131
 47 O     0.00000   -0.02419   -0.04853
 48 O    -0.00000    0.02230    1.17179
 49 Pt    0.00000   -0.02287   -0.37899
 50 Pt   -0.00000    0.02117   -0.43743
 51 O    -1.69089   -0.01394   -0.71848
 52 O     1.69089   -0.01394   -0.71848
 53 O     0.00000   -0.01180   -1.40559
 54 O     0.00000   -0.00205    1.77610
 55 Pt    0.00000   -0.01216    0.51678
 56 Pt   -0.00000    0.12400    0.65518
 57 O    -1.61371    0.01379    0.09123
 58 O     1.61371    0.01379    0.09123
 59 O     0.00000   -0.02123   -0.51654
 60 O     0.00000   -0.20527   -0.11716
 61 Pt   -0.00000    0.01015   -0.08988
 62 Pt   -0.00000    0.01720   -0.00614
 63 O    -0.01421   -0.00801    0.00304
 64 O     0.01421   -0.00801    0.00304
 65 O     0.00000   -0.00090    0.00269
 66 O     0.00000   -0.01194   -0.00419
 67 Pt   -0.00000    0.00776    0.02688
 68 Pt   -0.00000    0.15619    0.02014
 69 O    -0.00934   -0.00405   -0.02261
 70 O     0.00934   -0.00405   -0.02261
 71 O    -0.00000    0.00843   -0.04668
 72 N     0.00000   -0.09615    0.01769
 73 N    -0.00000    0.10800    0.05783

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.064300   24.755634    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.169212   24.106296    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:34:28  -2.83   +inf  -414.259517    3      1      
iter:   2  14:36:39  -3.61  -3.32  -414.347568    2      1      
iter:   3  14:38:50  -4.03  -2.63  -414.259403    2      1      
iter:   4  14:41:03  -4.34  -3.97  -414.256664    3      1      
iter:   5  14:43:16  -4.51  -3.74  -414.259364    2      1      
iter:   6  14:45:27  -4.77  -3.72  -414.257955    3      1      
iter:   7  14:47:39  -5.28  -4.33  -414.257555    2      1      
iter:   8  14:49:49  -5.37  -4.41  -414.257970    3      1      
iter:   9  14:51:59  -6.11  -4.39  -414.257658    2      1      
iter:  10  14:54:10  -6.11  -4.34  -414.257845    2      1      
iter:  11  14:56:18  -6.61  -4.47  -414.257904    2      1      
iter:  12  14:58:28  -6.97  -4.81  -414.257730    2      1      
iter:  13  15:00:40  -7.17  -4.76  -414.257878    2      1      
iter:  14  15:02:51  -6.97  -4.84  -414.257790    2      1      
iter:  15  15:05:02  -7.23  -5.07  -414.257858    2      1      
iter:  16  15:07:14  -7.54  -4.91  -414.257812    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963036, -32.583630, 0.040827) |e|*Ang

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

Kinetic:        +18.090789
Potential:     -137.061730
External:        +0.000000
XC:            -305.017928
Entropy (-ST):   -1.564935
Local:          +10.513524
--------------------------
Free energy:   -415.040280
Extrapolated:  -414.257812

Fermi level: -6.50067

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57028    0.14829
  0   340     -6.55483    0.14049
  0   341     -6.55380    0.13995
  0   342     -6.52646    0.12536

  1   339     -6.47512    0.19399
  1   340     -6.42658    0.14347
  1   341     -6.39165    0.11181
  1   342     -6.38804    0.10882



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17458
  1 Pt    0.00000   -0.00223   -0.37652
  2 Pt    0.00000   -0.01905   -0.43454
  3 O    -1.68436    0.00024   -0.71853
  4 O     1.68436    0.00024   -0.71853
  5 O     0.00000   -0.01107   -1.38792
  6 O     0.00000   -0.00281    1.76297
  7 Pt   -0.00000    0.01407    0.44925
  8 Pt    0.00000   -0.04162    0.75598
  9 O    -1.58113    0.00043    0.05060
 10 O     1.58113    0.00043    0.05060
 11 O     0.00000   -0.00886   -0.56713
 12 O    -0.00000    0.00799    0.13100
 13 Pt   -0.00000    0.27623   -0.03862
 14 Pt    0.00000   -0.02022    0.00574
 15 O     0.00021    0.01086    0.00326
 16 O    -0.00021    0.01086    0.00326
 17 O    -0.00000    0.00755   -1.03115
 18 O    -0.00000    0.00060    0.02699
 19 Pt    0.00000   -0.02306    0.12029
 20 Pt    0.00000   -0.04171    0.15265
 21 O    -0.21126    0.38437    0.22834
 22 O     0.21126    0.38437    0.22834
 23 O     0.00000   -0.01521   -0.08319
 24 O     0.00000   -0.00079    1.15052
 25 Pt   -0.00000    0.01700   -0.37927
 26 Pt    0.00000   -0.00019   -0.43482
 27 O    -1.69288    0.01339   -0.71791
 28 O     1.69288    0.01339   -0.71791
 29 O    -0.00000    0.04574   -1.38976
 30 O     0.00000   -0.00444    1.82834
 31 Pt   -0.00000    0.01897    0.50923
 32 Pt    0.00000   -0.14129    0.57926
 33 O    -1.61379   -0.01891    0.06977
 34 O     1.61379   -0.01891    0.06977
 35 O     0.00000   -0.03248   -0.52586
 36 O    -0.00000    0.21558   -0.12132
 37 Pt    0.00000   -0.30695   -0.04555
 38 Pt    0.00000   -0.00357   -0.01257
 39 O     0.01120    0.01147    0.01550
 40 O    -0.01120    0.01147    0.01550
 41 O    -0.00000    0.00434   -0.01123
 42 O    -0.00000    0.03369   -0.01586
 43 Pt    0.00000   -0.00844    0.09960
 44 Pt    0.00000   -0.08632    0.03143
 45 O    -0.20816   -0.38572    0.23216
 46 O     0.20816   -0.38572    0.23216
 47 O     0.00000   -0.02412   -0.04921
 48 O    -0.00000    0.02231    1.17251
 49 Pt    0.00000   -0.02288   -0.37862
 50 Pt   -0.00000    0.02116   -0.43661
 51 O    -1.69221   -0.01395   -0.71809
 52 O     1.69221   -0.01395   -0.71809
 53 O     0.00000   -0.01181   -1.40545
 54 O     0.00000   -0.00201    1.77144
 55 Pt    0.00000   -0.01214    0.51468
 56 Pt   -0.00000    0.12405    0.65355
 57 O    -1.61402    0.01381    0.09063
 58 O     1.61402    0.01381    0.09063
 59 O     0.00000   -0.02123   -0.51716
 60 O     0.00000   -0.20542   -0.11772
 61 Pt   -0.00000    0.01015   -0.09188
 62 Pt   -0.00000    0.01714   -0.00742
 63 O    -0.01420   -0.00798    0.00254
 64 O     0.01420   -0.00798    0.00254
 65 O     0.00000   -0.00077   -0.00277
 66 O     0.00000   -0.01181   -0.00408
 67 Pt   -0.00000    0.00762    0.02412
 68 Pt   -0.00000    0.15609    0.01655
 69 O    -0.00880   -0.00416   -0.02397
 70 O     0.00880   -0.00416   -0.02397
 71 O    -0.00000    0.00820   -0.04747
 72 N     0.00000   -0.16545    0.05590
 73 N    -0.00000    0.03765    0.13550

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.042087   24.771770    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.155581   24.111564    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:15:46  -2.79   +inf  -414.321011    3      1      
iter:   2  15:17:56  -3.06  -2.72  -415.914545    3      1      
iter:   3  15:20:06  -3.42  -2.01  -414.264422    3      1      
iter:   4  15:22:17  -4.11  -3.46  -414.264999    3      1      
iter:   5  15:24:27  -4.50  -3.74  -414.261080    3      1      
iter:   6  15:26:38  -4.59  -3.71  -414.260489    2      1      
iter:   7  15:28:48  -4.82  -3.84  -414.260821    3      1      
iter:   8  15:30:58  -5.21  -4.14  -414.261260    3      1      
iter:   9  15:33:09  -5.65  -4.19  -414.261467    2      1      
iter:  10  15:35:20  -5.95  -4.08  -414.260786    3      1      
iter:  11  15:37:33  -6.27  -4.31  -414.261529    2      1      
iter:  12  15:39:43  -6.44  -4.48  -414.261181    2      1      
iter:  13  15:41:53  -6.59  -4.61  -414.261196    2      1      
iter:  14  15:44:04  -6.90  -4.87  -414.261313    2      1      
iter:  15  15:46:16  -7.27  -4.40  -414.261161    2      1      
iter:  16  15:48:27  -7.39  -4.49  -414.261186    2      1      
iter:  17  15:50:15  -7.57  -4.86  -414.261296    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963050, -32.586368, 0.042383) |e|*Ang

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

Kinetic:        +18.141773
Potential:     -137.102556
External:        +0.000000
XC:            -305.029440
Entropy (-ST):   -1.564772
Local:          +10.511314
--------------------------
Free energy:   -415.043682
Extrapolated:  -414.261296

Fermi level: -6.49901

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56838    0.14818
  0   340     -6.55341    0.14061
  0   341     -6.55243    0.14010
  0   342     -6.52477    0.12535

  1   339     -6.47351    0.19404
  1   340     -6.42507    0.14362
  1   341     -6.39011    0.11191
  1   342     -6.38633    0.10878



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17457
  1 Pt    0.00000   -0.00224   -0.37598
  2 Pt    0.00000   -0.01908   -0.43466
  3 O    -1.68338    0.00022   -0.71895
  4 O     1.68338    0.00022   -0.71895
  5 O     0.00000   -0.01106   -1.38841
  6 O     0.00000   -0.00280    1.76699
  7 Pt   -0.00000    0.01412    0.45090
  8 Pt    0.00000   -0.04163    0.75642
  9 O    -1.58124    0.00043    0.05055
 10 O     1.58124    0.00043    0.05055
 11 O     0.00000   -0.00886   -0.56644
 12 O    -0.00000    0.00803    0.13101
 13 Pt   -0.00000    0.27630   -0.03678
 14 Pt    0.00000   -0.02019    0.00720
 15 O    -0.00020    0.01094    0.00320
 16 O     0.00020    0.01094    0.00320
 17 O    -0.00000    0.00764   -1.02641
 18 O    -0.00000    0.00068    0.02676
 19 Pt    0.00000   -0.02324    0.12033
 20 Pt    0.00000   -0.04173    0.15209
 21 O    -0.21185    0.38495    0.22934
 22 O     0.21185    0.38495    0.22934
 23 O     0.00000   -0.01522   -0.08331
 24 O     0.00000   -0.00077    1.15051
 25 Pt   -0.00000    0.01702   -0.37872
 26 Pt    0.00000   -0.00018   -0.43494
 27 O    -1.69190    0.01339   -0.71833
 28 O     1.69190    0.01339   -0.71833
 29 O    -0.00000    0.04572   -1.39033
 30 O     0.00000   -0.00446    1.83233
 31 Pt   -0.00000    0.01895    0.51091
 32 Pt    0.00000   -0.14132    0.57979
 33 O    -1.61390   -0.01890    0.06973
 34 O     1.61390   -0.01890    0.06973
 35 O     0.00000   -0.03253   -0.52526
 36 O    -0.00000    0.21555   -0.12134
 37 Pt    0.00000   -0.30693   -0.04385
 38 Pt    0.00000   -0.00350   -0.01091
 39 O     0.01079    0.01146    0.01550
 40 O    -0.01079    0.01146    0.01550
 41 O    -0.00000    0.00459   -0.00811
 42 O    -0.00000    0.03390   -0.01594
 43 Pt    0.00000   -0.00821    0.10077
 44 Pt    0.00000   -0.08688    0.03409
 45 O    -0.20885   -0.38673    0.23459
 46 O     0.20885   -0.38673    0.23459
 47 O     0.00000   -0.02363   -0.04927
 48 O    -0.00000    0.02231    1.17251
 49 Pt    0.00000   -0.02288   -0.37810
 50 Pt   -0.00000    0.02117   -0.43675
 51 O    -1.69123   -0.01393   -0.71852
 52 O     1.69123   -0.01393   -0.71852
 53 O     0.00000   -0.01181   -1.40602
 54 O     0.00000   -0.00198    1.77536
 55 Pt    0.00000   -0.01215    0.51636
 56 Pt   -0.00000    0.12409    0.65406
 57 O    -1.61414    0.01379    0.09061
 58 O     1.61414    0.01379    0.09061
 59 O     0.00000   -0.02119   -0.51655
 60 O     0.00000   -0.20542   -0.11783
 61 Pt   -0.00000    0.01004   -0.09044
 62 Pt   -0.00000    0.01704   -0.00578
 63 O    -0.01475   -0.00806    0.00251
 64 O     0.01475   -0.00806    0.00251
 65 O     0.00000   -0.00083    0.00032
 66 O     0.00000   -0.01212   -0.00409
 67 Pt   -0.00000    0.00762    0.02477
 68 Pt   -0.00000    0.15599    0.01686
 69 O    -0.00907   -0.00414   -0.02270
 70 O     0.00907   -0.00414   -0.02270
 71 O    -0.00000    0.00771   -0.04744
 72 N     0.00000   -0.05640   -0.02154
 73 N    -0.00000    0.01828    0.03263

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.020609   24.786687    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.142620   24.115764    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:54:53  -2.83   +inf  -414.262833    3      1      
iter:   2  15:57:05  -3.69  -3.70  -414.267978    3      1      
iter:   3  15:59:17  -4.18  -3.35  -414.266795    3      1      
iter:   4  16:01:26  -4.55  -3.46  -414.262700    3      1      
iter:   5  16:03:37  -4.50  -3.73  -414.263715    3      1      
iter:   6  16:05:48  -4.78  -3.86  -414.263396    3      1      
iter:   7  16:08:01  -5.13  -4.26  -414.263638    2      1      
iter:   8  16:10:13  -5.44  -4.37  -414.263538    3      1      
iter:   9  16:12:24  -5.82  -4.15  -414.263066    3      1      
iter:  10  16:14:34  -6.19  -4.10  -414.263689    2      1      
iter:  11  16:16:46  -6.83  -4.51  -414.263337    2      1      
iter:  12  16:18:57  -7.03  -4.81  -414.263362    2      1      
iter:  13  16:21:09  -7.08  -4.65  -414.263302    2      1      
iter:  14  16:23:21  -7.20  -4.84  -414.263389    2      1      
iter:  15  16:25:34  -7.67  -4.78  -414.263422    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963047, -32.587234, 0.041268) |e|*Ang

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

Kinetic:        +18.173123
Potential:     -137.125871
External:        +0.000000
XC:            -305.037617
Entropy (-ST):   -1.564857
Local:          +10.509372
--------------------------
Free energy:   -415.045851
Extrapolated:  -414.263422

Fermi level: -6.50010

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56942    0.14815
  0   340     -6.55443    0.14057
  0   341     -6.55346    0.14007
  0   342     -6.52586    0.12534

  1   339     -6.47466    0.19411
  1   340     -6.42616    0.14361
  1   341     -6.39120    0.11191
  1   342     -6.38739    0.10875



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17397
  1 Pt    0.00000   -0.00222   -0.37691
  2 Pt    0.00000   -0.01908   -0.43521
  3 O    -1.68324    0.00023   -0.71884
  4 O     1.68324    0.00023   -0.71884
  5 O     0.00000   -0.01108   -1.38819
  6 O     0.00000   -0.00282    1.76694
  7 Pt   -0.00000    0.01415    0.45117
  8 Pt    0.00000   -0.04165    0.75778
  9 O    -1.58082    0.00046    0.05117
 10 O     1.58082    0.00046    0.05117
 11 O     0.00000   -0.00885   -0.56665
 12 O    -0.00000    0.00808    0.13108
 13 Pt   -0.00000    0.27579   -0.03711
 14 Pt    0.00000   -0.02017    0.00655
 15 O     0.00022    0.01105    0.00350
 16 O    -0.00022    0.01105    0.00350
 17 O    -0.00000    0.00784   -1.02699
 18 O    -0.00000    0.00070    0.02702
 19 Pt    0.00000   -0.02302    0.12203
 20 Pt    0.00000   -0.04346    0.15211
 21 O    -0.21147    0.38435    0.22936
 22 O     0.21147    0.38435    0.22936
 23 O     0.00000   -0.01558   -0.08211
 24 O     0.00000   -0.00078    1.14991
 25 Pt   -0.00000    0.01701   -0.37966
 26 Pt    0.00000   -0.00018   -0.43545
 27 O    -1.69175    0.01339   -0.71823
 28 O     1.69175    0.01339   -0.71823
 29 O    -0.00000    0.04576   -1.38998
 30 O     0.00000   -0.00434    1.83229
 31 Pt   -0.00000    0.01893    0.51121
 32 Pt    0.00000   -0.14125    0.58101
 33 O    -1.61347   -0.01893    0.07035
 34 O     1.61347   -0.01893    0.07035
 35 O     0.00000   -0.03248   -0.52545
 36 O    -0.00000    0.21521   -0.12095
 37 Pt    0.00000   -0.30652   -0.04433
 38 Pt    0.00000   -0.00371   -0.01171
 39 O     0.01116    0.01135    0.01579
 40 O    -0.01116    0.01135    0.01579
 41 O    -0.00000    0.00491   -0.00741
 42 O    -0.00000    0.03378   -0.01595
 43 Pt    0.00000   -0.00842    0.10168
 44 Pt    0.00000   -0.08691    0.03346
 45 O    -0.20895   -0.38662    0.23513
 46 O     0.20895   -0.38662    0.23513
 47 O     0.00000   -0.02397   -0.04857
 48 O    -0.00000    0.02230    1.17192
 49 Pt    0.00000   -0.02290   -0.37899
 50 Pt   -0.00000    0.02117   -0.43727
 51 O    -1.69109   -0.01394   -0.71839
 52 O     1.69109   -0.01394   -0.71839
 53 O     0.00000   -0.01182   -1.40564
 54 O     0.00000   -0.00210    1.77533
 55 Pt    0.00000   -0.01216    0.51649
 56 Pt   -0.00000    0.12404    0.65519
 57 O    -1.61372    0.01378    0.09118
 58 O     1.61372    0.01378    0.09118
 59 O     0.00000   -0.02125   -0.51682
 60 O     0.00000   -0.20515   -0.11731
 61 Pt   -0.00000    0.01015   -0.09012
 62 Pt   -0.00000    0.01724   -0.00645
 63 O    -0.01399   -0.00806    0.00283
 64 O     0.01399   -0.00806    0.00283
 65 O     0.00000   -0.00102    0.00124
 66 O     0.00000   -0.01197   -0.00411
 67 Pt   -0.00000    0.00766    0.02561
 68 Pt   -0.00000    0.15653    0.01897
 69 O    -0.00912   -0.00404   -0.02295
 70 O     0.00912   -0.00404   -0.02295
 71 O    -0.00000    0.00846   -0.04631
 72 N     0.00000   -0.04355    0.09987
 73 N     0.00000   -0.06709    0.04200

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    2.997031   24.803450    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.127221   24.121480    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:34:08  -2.74   +inf  -414.265237    3      1      
iter:   2  16:36:21  -3.61  -3.76  -414.271914    2      1      
iter:   3  16:38:31  -4.12  -3.22  -414.266620    2      1      
iter:   4  16:40:42  -4.32  -3.73  -414.264222    3      1      
iter:   5  16:42:53  -4.52  -3.76  -414.267014    3      1      
iter:   6  16:45:05  -4.82  -3.80  -414.265096    3      1      
iter:   7  16:47:18  -5.26  -4.27  -414.265414    2      1      
iter:   8  16:49:27  -5.76  -4.11  -414.265152    2      1      
iter:   9  16:51:37  -5.57  -3.64  -414.265314    2      1      
iter:  10  16:53:48  -6.00  -4.22  -414.265099    2      1      
iter:  11  16:55:57  -6.36  -4.82  -414.264927    2      1      
iter:  12  16:58:08  -6.76  -4.62  -414.265348    2      1      
iter:  13  17:00:19  -7.14  -4.63  -414.265004    2      1      
iter:  14  17:02:32  -7.48  -4.95  -414.265109    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963039, -32.589224, 0.041923) |e|*Ang

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

Kinetic:        +18.125193
Potential:     -137.093060
External:        +0.000000
XC:            -305.024516
Entropy (-ST):   -1.564859
Local:          +10.509703
--------------------------
Free energy:   -415.047539
Extrapolated:  -414.265109

Fermi level: -6.49940

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56868    0.14813
  0   340     -6.55378    0.14060
  0   341     -6.55282    0.14010
  0   342     -6.52518    0.12536

  1   339     -6.47401    0.19416
  1   340     -6.42547    0.14363
  1   341     -6.39058    0.11198
  1   342     -6.38669    0.10875



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17399
  1 Pt    0.00000   -0.00217   -0.37624
  2 Pt    0.00000   -0.01900   -0.43486
  3 O    -1.68293    0.00031   -0.71876
  4 O     1.68293    0.00031   -0.71876
  5 O     0.00000   -0.01110   -1.38827
  6 O     0.00000   -0.00294    1.76806
  7 Pt   -0.00000    0.01417    0.45159
  8 Pt    0.00000   -0.04179    0.75812
  9 O    -1.58102    0.00043    0.05127
 10 O     1.58102    0.00043    0.05127
 11 O     0.00000   -0.00892   -0.56628
 12 O    -0.00000    0.00812    0.13118
 13 Pt   -0.00000    0.27556   -0.03676
 14 Pt    0.00000   -0.01993    0.00687
 15 O     0.00010    0.01108    0.00374
 16 O    -0.00010    0.01108    0.00374
 17 O    -0.00000    0.00813   -1.02675
 18 O    -0.00000    0.00082    0.02702
 19 Pt    0.00000   -0.02319    0.12090
 20 Pt    0.00000   -0.04432    0.14975
 21 O    -0.21177    0.38433    0.22874
 22 O     0.21177    0.38433    0.22874
 23 O     0.00000   -0.01606   -0.08258
 24 O     0.00000   -0.00084    1.14994
 25 Pt   -0.00000    0.01702   -0.37909
 26 Pt    0.00000   -0.00026   -0.43509
 27 O    -1.69150    0.01337   -0.71819
 28 O     1.69150    0.01337   -0.71819
 29 O    -0.00000    0.04578   -1.39003
 30 O     0.00000   -0.00418    1.83347
 31 Pt   -0.00000    0.01893    0.51169
 32 Pt    0.00000   -0.14110    0.58129
 33 O    -1.61360   -0.01894    0.07042
 34 O     1.61360   -0.01894    0.07042
 35 O     0.00000   -0.03239   -0.52515
 36 O    -0.00000    0.21504   -0.12066
 37 Pt    0.00000   -0.30636   -0.04406
 38 Pt    0.00000   -0.00401   -0.01138
 39 O     0.01091    0.01134    0.01610
 40 O    -0.01091    0.01134    0.01610
 41 O    -0.00000    0.00510   -0.00746
 42 O    -0.00000    0.03365   -0.01600
 43 Pt    0.00000   -0.00828    0.10061
 44 Pt    0.00000   -0.08732    0.03178
 45 O    -0.20939   -0.38720    0.23499
 46 O     0.20939   -0.38720    0.23499
 47 O     0.00000   -0.02351   -0.04918
 48 O    -0.00000    0.02232    1.17194
 49 Pt    0.00000   -0.02296   -0.37830
 50 Pt   -0.00000    0.02117   -0.43685
 51 O    -1.69077   -0.01400   -0.71829
 52 O     1.69077   -0.01400   -0.71829
 53 O     0.00000   -0.01183   -1.40550
 54 O     0.00000   -0.00213    1.77677
 55 Pt    0.00000   -0.01218    0.51693
 56 Pt   -0.00000    0.12403    0.65531
 57 O    -1.61389    0.01384    0.09130
 58 O     1.61389    0.01384    0.09130
 59 O     0.00000   -0.02128   -0.51666
 60 O     0.00000   -0.20507   -0.11709
 61 Pt   -0.00000    0.01021   -0.08969
 62 Pt   -0.00000    0.01729   -0.00594
 63 O    -0.01406   -0.00809    0.00301
 64 O     0.01406   -0.00809    0.00301
 65 O     0.00000   -0.00108    0.00215
 66 O     0.00000   -0.01193   -0.00416
 67 Pt   -0.00000    0.00772    0.02470
 68 Pt   -0.00000    0.15678    0.01789
 69 O    -0.00921   -0.00384   -0.02342
 70 O     0.00921   -0.00384   -0.02342
 71 O    -0.00000    0.00853   -0.04648
 72 N     0.00000   -0.01038    0.04520
 73 N    -0.00000    0.04106    0.07861

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    2.975935   24.817099    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.114939   24.124314    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:13:02  -2.87   +inf  -414.268600    3      1      
iter:   2  17:15:13  -3.68  -3.39  -414.324638    3      1      
iter:   3  17:17:24  -4.09  -2.71  -414.265724    2      1      
iter:   4  17:19:35  -4.52  -3.85  -414.268119    3      1      
iter:   5  17:21:46  -4.50  -3.83  -414.265173    3      1      
iter:   6  17:23:58  -4.79  -3.85  -414.265923    2      1      
iter:   7  17:26:09  -5.26  -4.22  -414.265875    2      1      
iter:   8  17:28:17  -5.42  -4.24  -414.265939    3      1      
iter:   9  17:30:22  -5.94  -4.46  -414.265959    2      1      
iter:  10  17:32:27  -6.39  -4.37  -414.265909    2      1      
iter:  11  17:34:32  -6.90  -4.69  -414.265991    2      1      
iter:  12  17:36:37  -6.97  -4.85  -414.265690    2      1      
iter:  13  17:38:43  -7.26  -4.76  -414.265903    2      1      
iter:  14  17:40:48  -7.66  -5.03  -414.265838    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963051, -32.590717, 0.041496) |e|*Ang

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

Kinetic:        +18.137728
Potential:     -137.104988
External:        +0.000000
XC:            -305.027779
Entropy (-ST):   -1.564877
Local:          +10.511640
--------------------------
Free energy:   -415.048276
Extrapolated:  -414.265838

Fermi level: -6.49956

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56879    0.14811
  0   340     -6.55399    0.14062
  0   341     -6.55304    0.14013
  0   342     -6.52537    0.12537

  1   339     -6.47423    0.19423
  1   340     -6.42566    0.14365
  1   341     -6.39079    0.11202
  1   342     -6.38682    0.10873



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17409
  1 Pt    0.00000   -0.00221   -0.37609
  2 Pt    0.00000   -0.01905   -0.43431
  3 O    -1.68246    0.00025   -0.71869
  4 O     1.68246    0.00025   -0.71869
  5 O     0.00000   -0.01106   -1.38845
  6 O     0.00000   -0.00284    1.76976
  7 Pt   -0.00000    0.01420    0.45187
  8 Pt    0.00000   -0.04168    0.75829
  9 O    -1.58095    0.00051    0.05138
 10 O     1.58095    0.00051    0.05138
 11 O     0.00000   -0.00883   -0.56656
 12 O    -0.00000    0.00816    0.13071
 13 Pt   -0.00000    0.27531   -0.03683
 14 Pt    0.00000   -0.02020    0.00648
 15 O    -0.00009    0.01100    0.00352
 16 O     0.00009    0.01100    0.00352
 17 O    -0.00000    0.00802   -1.02439
 18 O    -0.00000    0.00067    0.02683
 19 Pt    0.00000   -0.02332    0.12001
 20 Pt    0.00000   -0.04370    0.15139
 21 O    -0.21156    0.38431    0.22849
 22 O     0.21156    0.38431    0.22849
 23 O     0.00000   -0.01522   -0.08234
 24 O     0.00000   -0.00077    1.15003
 25 Pt   -0.00000    0.01702   -0.37885
 26 Pt    0.00000   -0.00021   -0.43454
 27 O    -1.69098    0.01338   -0.71808
 28 O     1.69098    0.01338   -0.71808
 29 O    -0.00000    0.04575   -1.39026
 30 O     0.00000   -0.00431    1.83512
 31 Pt   -0.00000    0.01891    0.51198
 32 Pt    0.00000   -0.14128    0.58151
 33 O    -1.61357   -0.01896    0.07056
 34 O     1.61357   -0.01896    0.07056
 35 O     0.00000   -0.03250   -0.52539
 36 O    -0.00000    0.21492   -0.12106
 37 Pt    0.00000   -0.30614   -0.04437
 38 Pt    0.00000   -0.00368   -0.01168
 39 O     0.01083    0.01139    0.01583
 40 O    -0.01083    0.01139    0.01583
 41 O    -0.00000    0.00546   -0.00677
 42 O    -0.00000    0.03368   -0.01605
 43 Pt    0.00000   -0.00806    0.10211
 44 Pt    0.00000   -0.08866    0.03490
 45 O    -0.21042   -0.38752    0.23816
 46 O     0.21042   -0.38752    0.23816
 47 O     0.00000   -0.02411   -0.04886
 48 O    -0.00000    0.02231    1.17202
 49 Pt    0.00000   -0.02292   -0.37818
 50 Pt   -0.00000    0.02117   -0.43636
 51 O    -1.69029   -0.01395   -0.71824
 52 O     1.69029   -0.01395   -0.71824
 53 O     0.00000   -0.01184   -1.40586
 54 O     0.00000   -0.00210    1.77820
 55 Pt    0.00000   -0.01219    0.51722
 56 Pt   -0.00000    0.12410    0.65562
 57 O    -1.61381    0.01378    0.09140
 58 O     1.61381    0.01378    0.09140
 59 O     0.00000   -0.02126   -0.51685
 60 O     0.00000   -0.20499   -0.11729
 61 Pt   -0.00000    0.01022   -0.08994
 62 Pt   -0.00000    0.01722   -0.00608
 63 O    -0.01430   -0.00803    0.00284
 64 O     0.01430   -0.00803    0.00284
 65 O     0.00000   -0.00117    0.00168
 66 O     0.00000   -0.01182   -0.00434
 67 Pt   -0.00000    0.00764    0.02451
 68 Pt   -0.00000    0.15695    0.01725
 69 O    -0.00896   -0.00408   -0.02296
 70 O     0.00896   -0.00408   -0.02296
 71 O    -0.00000    0.00827   -0.04657
 72 N     0.00000   -0.05152    0.08218
 73 N    -0.00000    0.01059    0.09499

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    2.953678   24.831694    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.101378   24.128471    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:57:29  -2.82   +inf  -414.279567    3      1      
iter:   2  17:59:39  -3.48  -3.06  -414.601040    3      1      
iter:   3  18:01:50  -3.88  -2.34  -414.267044    3      1      
iter:   4  18:04:00  -4.42  -3.58  -414.269425    3      1      
iter:   5  18:06:12  -4.62  -3.91  -414.266607    3      1      
iter:   6  18:08:25  -4.68  -3.77  -414.267292    3      1      
iter:   7  18:10:34  -5.25  -3.91  -414.267349    2      1      
iter:   8  18:12:45  -5.34  -4.36  -414.267287    3      1      
iter:   9  18:14:56  -5.54  -4.61  -414.267429    2      1      
iter:  10  18:17:07  -6.42  -4.46  -414.267177    2      1      
iter:  11  18:19:17  -6.72  -4.61  -414.267418    2      1      
iter:  12  18:21:28  -6.97  -4.61  -414.267087    2      1      
iter:  13  18:23:39  -7.00  -4.40  -414.267334    2      1      
iter:  14  18:25:50  -7.15  -4.50  -414.267324    2      1      
iter:  15  18:27:59  -7.59  -5.11  -414.267314    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963041, -32.592908, 0.042799) |e|*Ang

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

Kinetic:        +18.152687
Potential:     -137.121155
External:        +0.000000
XC:            -305.029477
Entropy (-ST):   -1.564869
Local:          +10.513066
--------------------------
Free energy:   -415.049749
Extrapolated:  -414.267314

Fermi level: -6.49871

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56807    0.14817
  0   340     -6.55304    0.14057
  0   341     -6.55207    0.14007
  0   342     -6.52456    0.12539

  1   339     -6.47333    0.19417
  1   340     -6.42474    0.14359
  1   341     -6.38995    0.11203
  1   342     -6.38597    0.10873



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17399
  1 Pt    0.00000   -0.00224   -0.37627
  2 Pt    0.00000   -0.01907   -0.43476
  3 O    -1.68314    0.00023   -0.71860
  4 O     1.68314    0.00023   -0.71860
  5 O     0.00000   -0.01106   -1.38813
  6 O     0.00000   -0.00292    1.76767
  7 Pt   -0.00000    0.01418    0.45155
  8 Pt    0.00000   -0.04176    0.75828
  9 O    -1.58110    0.00044    0.05167
 10 O     1.58110    0.00044    0.05167
 11 O     0.00000   -0.00887   -0.56622
 12 O    -0.00000    0.00822    0.13111
 13 Pt   -0.00000    0.27530   -0.03685
 14 Pt    0.00000   -0.02004    0.00645
 15 O     0.00009    0.01107    0.00382
 16 O    -0.00009    0.01107    0.00382
 17 O    -0.00000    0.00828   -1.02619
 18 O    -0.00000    0.00068    0.02706
 19 Pt    0.00000   -0.02333    0.12027
 20 Pt    0.00000   -0.04477    0.15029
 21 O    -0.21127    0.38389    0.22862
 22 O     0.21127    0.38389    0.22862
 23 O     0.00000   -0.01560   -0.08185
 24 O     0.00000   -0.00078    1.14995
 25 Pt   -0.00000    0.01703   -0.37904
 26 Pt    0.00000   -0.00018   -0.43498
 27 O    -1.69167    0.01339   -0.71801
 28 O     1.69167    0.01339   -0.71801
 29 O    -0.00000    0.04576   -1.38991
 30 O     0.00000   -0.00426    1.83298
 31 Pt   -0.00000    0.01893    0.51172
 32 Pt    0.00000   -0.14121    0.58140
 33 O    -1.61367   -0.01892    0.07082
 34 O     1.61367   -0.01892    0.07082
 35 O     0.00000   -0.03247   -0.52500
 36 O    -0.00000    0.21486   -0.12081
 37 Pt    0.00000   -0.30607   -0.04452
 38 Pt    0.00000   -0.00390   -0.01173
 39 O     0.01093    0.01140    0.01612
 40 O    -0.01093    0.01140    0.01612
 41 O    -0.00000    0.00539   -0.00830
 42 O    -0.00000    0.03370   -0.01586
 43 Pt    0.00000   -0.00792    0.10220
 44 Pt    0.00000   -0.08848    0.03461
 45 O    -0.21016   -0.38751    0.23890
 46 O     0.21016   -0.38751    0.23890
 47 O     0.00000   -0.02396   -0.04867
 48 O    -0.00000    0.02231    1.17196
 49 Pt    0.00000   -0.02290   -0.37833
 50 Pt   -0.00000    0.02117   -0.43682
 51 O    -1.69098   -0.01395   -0.71814
 52 O     1.69098   -0.01395   -0.71814
 53 O     0.00000   -0.01185   -1.40541
 54 O     0.00000   -0.00208    1.77602
 55 Pt    0.00000   -0.01219    0.51689
 56 Pt   -0.00000    0.12410    0.65541
 57 O    -1.61398    0.01381    0.09166
 58 O     1.61398    0.01381    0.09166
 59 O     0.00000   -0.02125   -0.51653
 60 O     0.00000   -0.20501   -0.11713
 61 Pt   -0.00000    0.01018   -0.08986
 62 Pt   -0.00000    0.01728   -0.00615
 63 O    -0.01416   -0.00813    0.00313
 64 O     0.01416   -0.00813    0.00313
 65 O     0.00000   -0.00111    0.00078
 66 O     0.00000   -0.01179   -0.00404
 67 Pt   -0.00000    0.00757    0.02471
 68 Pt   -0.00000    0.15706    0.01787
 69 O    -0.00889   -0.00400   -0.02286
 70 O     0.00889   -0.00400   -0.02286
 71 O    -0.00000    0.00850   -0.04602
 72 N     0.00000   -0.06347    0.06472
 73 N     0.00000   -0.04999    0.05790

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    2.931418   24.846334    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.087603   24.132842    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:36:33  -2.81   +inf  -414.270947    3      1      
iter:   2  18:38:43  -3.68  -3.70  -414.268227    3      1      
iter:   3  18:40:54  -4.19  -3.59  -414.271131    3      1      
iter:   4  18:43:04  -4.59  -3.43  -414.271911    2      1      
iter:   5  18:45:15  -4.49  -3.57  -414.268438    3      1      
iter:   6  18:47:24  -4.78  -3.95  -414.268670    2      1      
iter:   7  18:49:37  -5.22  -4.27  -414.268888    2      1      
iter:   8  18:51:49  -5.41  -4.33  -414.268950    3      1      
iter:   9  18:54:00  -6.02  -4.49  -414.268573    2      1      
iter:  10  18:56:10  -6.46  -4.40  -414.268811    2      1      
iter:  11  18:58:20  -6.92  -4.60  -414.268884    2      1      
iter:  12  19:00:32  -6.91  -4.56  -414.268607    2      1      
iter:  13  19:02:45  -7.25  -4.65  -414.268711    2      1      
iter:  14  19:04:56  -7.32  -5.09  -414.268695    2      1      
iter:  15  19:07:06  -7.80  -5.25  -414.268761    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963037, -32.594525, 0.043110) |e|*Ang

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

Kinetic:        +18.147554
Potential:     -137.123150
External:        +0.000000
XC:            -305.024892
Entropy (-ST):   -1.564712
Local:          +10.514082
--------------------------
Free energy:   -415.051118
Extrapolated:  -414.268761

Fermi level: -6.49869

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56814    0.14822
  0   340     -6.55296    0.14054
  0   341     -6.55197    0.14003
  0   342     -6.52458    0.12541

  1   339     -6.47317    0.19401
  1   340     -6.42469    0.14355
  1   341     -6.38994    0.11204
  1   342     -6.38593    0.10871



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17441
  1 Pt    0.00000   -0.00223   -0.37679
  2 Pt    0.00000   -0.01909   -0.43483
  3 O    -1.68388    0.00021   -0.71862
  4 O     1.68388    0.00021   -0.71862
  5 O     0.00000   -0.01102   -1.38821
  6 O     0.00000   -0.00282    1.76482
  7 Pt   -0.00000    0.01412    0.45014
  8 Pt    0.00000   -0.04170    0.75704
  9 O    -1.58093    0.00045    0.05081
 10 O     1.58093    0.00045    0.05081
 11 O     0.00000   -0.00885   -0.56679
 12 O    -0.00000    0.00816    0.13063
 13 Pt   -0.00000    0.27529   -0.03716
 14 Pt    0.00000   -0.02031    0.00638
 15 O     0.00031    0.01095    0.00349
 16 O    -0.00031    0.01095    0.00349
 17 O    -0.00000    0.00831   -1.02586
 18 O    -0.00000    0.00053    0.02717
 19 Pt    0.00000   -0.02326    0.11931
 20 Pt    0.00000   -0.04507    0.15051
 21 O    -0.21128    0.38406    0.22770
 22 O     0.21128    0.38406    0.22770
 23 O     0.00000   -0.01528   -0.08211
 24 O     0.00000   -0.00075    1.15036
 25 Pt   -0.00000    0.01702   -0.37950
 26 Pt    0.00000   -0.00017   -0.43507
 27 O    -1.69238    0.01339   -0.71801
 28 O     1.69238    0.01339   -0.71801
 29 O    -0.00000    0.04571   -1.39005
 30 O     0.00000   -0.00441    1.83016
 31 Pt   -0.00000    0.01895    0.51021
 32 Pt    0.00000   -0.14130    0.58025
 33 O    -1.61355   -0.01892    0.06998
 34 O     1.61355   -0.01892    0.06998
 35 O     0.00000   -0.03249   -0.52554
 36 O    -0.00000    0.21503   -0.12144
 37 Pt    0.00000   -0.30610   -0.04490
 38 Pt    0.00000   -0.00356   -0.01195
 39 O     0.01128    0.01148    0.01578
 40 O    -0.01128    0.01148    0.01578
 41 O    -0.00000    0.00559   -0.00867
 42 O    -0.00000    0.03366   -0.01567
 43 Pt    0.00000   -0.00776    0.10250
 44 Pt    0.00000   -0.08905    0.03548
 45 O    -0.21082   -0.38796    0.24037
 46 O     0.21082   -0.38796    0.24037
 47 O     0.00000   -0.02406   -0.04881
 48 O    -0.00000    0.02231    1.17236
 49 Pt    0.00000   -0.02290   -0.37888
 50 Pt   -0.00000    0.02117   -0.43694
 51 O    -1.69173   -0.01392   -0.71819
 52 O     1.69173   -0.01392   -0.71819
 53 O     0.00000   -0.01183   -1.40564
 54 O     0.00000   -0.00202    1.77312
 55 Pt    0.00000   -0.01214    0.51555
 56 Pt   -0.00000    0.12413    0.65436
 57 O    -1.61380    0.01379    0.09084
 58 O     1.61380    0.01379    0.09084
 59 O     0.00000   -0.02124   -0.51692
 60 O     0.00000   -0.20518   -0.11769
 61 Pt   -0.00000    0.01021   -0.09048
 62 Pt   -0.00000    0.01720   -0.00652
 63 O    -0.01410   -0.00806    0.00273
 64 O     0.01410   -0.00806    0.00273
 65 O     0.00000   -0.00099   -0.00050
 66 O     0.00000   -0.01159   -0.00412
 67 Pt   -0.00000    0.00734    0.02426
 68 Pt   -0.00000    0.15723    0.01685
 69 O    -0.00882   -0.00421   -0.02329
 70 O     0.00882   -0.00421   -0.02329
 71 O    -0.00000    0.00834   -0.04626
 72 N     0.00000   -0.02595    0.07951
 73 N     0.00000   -0.03061    0.05816

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    2.907531   24.859998    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.072432   24.138189    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:13:42  -2.75   +inf  -414.294324    3      1      
iter:   2  19:15:55  -3.32  -2.92  -414.902653    3      1      
iter:   3  19:18:06  -3.70  -2.20  -414.271801    3      1      
iter:   4  19:20:16  -4.38  -3.65  -414.272911    3      1      
iter:   5  19:22:27  -4.63  -3.86  -414.268924    3      1      
iter:   6  19:24:38  -4.61  -3.68  -414.269332    3      1      
iter:   7  19:26:50  -5.18  -3.89  -414.270250    3      1      
iter:   8  19:29:00  -5.31  -4.25  -414.270063    3      1      
iter:   9  19:31:10  -5.86  -4.17  -414.270159    2      1      
iter:  10  19:33:21  -5.73  -3.75  -414.270774    3      1      
iter:  11  19:35:34  -5.89  -4.21  -414.269719    3      1      
iter:  12  19:37:47  -6.13  -4.40  -414.270075    2      1      
iter:  13  19:40:00  -6.88  -4.75  -414.270004    2      1      
iter:  14  19:42:12  -6.61  -4.87  -414.269997    2      1      
iter:  15  19:44:23  -7.19  -4.49  -414.270061    2      1      
iter:  16  19:46:34  -7.35  -4.49  -414.269942    2      1      
iter:  17  19:48:44  -7.40  -5.05  -414.270091    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963019, -32.595469, 0.041810) |e|*Ang

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

Kinetic:        +18.355436
Potential:     -137.294213
External:        +0.000000
XC:            -305.063766
Entropy (-ST):   -1.564558
Local:          +10.514731
--------------------------
Free energy:   -415.052370
Extrapolated:  -414.270091

Fermi level: -6.49960

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56890    0.14814
  0   340     -6.55396    0.14059
  0   341     -6.55297    0.14008
  0   342     -6.52545    0.12539

  1   339     -6.47406    0.19400
  1   340     -6.42568    0.14364
  1   341     -6.39089    0.11207
  1   342     -6.38679    0.10867



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17469
  1 Pt    0.00000   -0.00223   -0.37674
  2 Pt    0.00000   -0.01910   -0.43464
  3 O    -1.68375    0.00020   -0.71859
  4 O     1.68375    0.00020   -0.71859
  5 O     0.00000   -0.01099   -1.38818
  6 O     0.00000   -0.00274    1.76585
  7 Pt   -0.00000    0.01411    0.45091
  8 Pt    0.00000   -0.04165    0.75720
  9 O    -1.58078    0.00045    0.05088
 10 O     1.58078    0.00045    0.05088
 11 O     0.00000   -0.00882   -0.56654
 12 O    -0.00000    0.00818    0.13064
 13 Pt   -0.00000    0.27561   -0.03626
 14 Pt    0.00000   -0.02050    0.00686
 15 O    -0.00008    0.01098    0.00348
 16 O     0.00008    0.01098    0.00348
 17 O    -0.00000    0.00847   -1.02360
 18 O     0.00000    0.00039    0.02721
 19 Pt    0.00000   -0.02275    0.11863
 20 Pt    0.00000   -0.04492    0.15191
 21 O    -0.21152    0.38457    0.22665
 22 O     0.21152    0.38457    0.22665
 23 O     0.00000   -0.01430   -0.08326
 24 O     0.00000   -0.00072    1.15062
 25 Pt   -0.00000    0.01703   -0.37938
 26 Pt    0.00000   -0.00014   -0.43493
 27 O    -1.69225    0.01341   -0.71796
 28 O     1.69225    0.01341   -0.71796
 29 O    -0.00000    0.04565   -1.39013
 30 O     0.00000   -0.00454    1.83102
 31 Pt   -0.00000    0.01892    0.51086
 32 Pt    0.00000   -0.14137    0.58055
 33 O    -1.61344   -0.01892    0.07000
 34 O     1.61344   -0.01892    0.07000
 35 O     0.00000   -0.03256   -0.52522
 36 O    -0.00000    0.21539   -0.12175
 37 Pt    0.00000   -0.30635   -0.04410
 38 Pt    0.00000   -0.00329   -0.01150
 39 O     0.01103    0.01143    0.01574
 40 O    -0.01103    0.01143    0.01574
 41 O    -0.00000    0.00578   -0.00537
 42 O    -0.00000    0.03403   -0.01573
 43 Pt    0.00000   -0.00801    0.10470
 44 Pt    0.00000   -0.08990    0.03917
 45 O    -0.21223   -0.38889    0.24390
 46 O     0.21223   -0.38889    0.24390
 47 O     0.00000   -0.02442   -0.04934
 48 O    -0.00000    0.02229    1.17261
 49 Pt    0.00000   -0.02291   -0.37889
 50 Pt   -0.00000    0.02115   -0.43684
 51 O    -1.69163   -0.01392   -0.71816
 52 O     1.69163   -0.01392   -0.71816
 53 O     0.00000   -0.01180   -1.40574
 54 O     0.00000   -0.00196    1.77407
 55 Pt    0.00000   -0.01210    0.51637
 56 Pt   -0.00000    0.12415    0.65478
 57 O    -1.61364    0.01378    0.09093
 58 O     1.61364    0.01378    0.09093
 59 O     0.00000   -0.02121   -0.51639
 60 O     0.00000   -0.20556   -0.11793
 61 Pt   -0.00000    0.01010   -0.08989
 62 Pt   -0.00000    0.01713   -0.00623
 63 O    -0.01453   -0.00804    0.00270
 64 O     0.01453   -0.00804    0.00270
 65 O     0.00000   -0.00097    0.00150
 66 O     0.00000   -0.01180   -0.00420
 67 Pt   -0.00000    0.00705    0.02450
 68 Pt   -0.00000    0.15698    0.01586
 69 O    -0.00940   -0.00454   -0.02349
 70 O     0.00940   -0.00454   -0.02349
 71 O    -0.00000    0.00780   -0.04733
 72 N    -0.00000    0.08201    0.17157
 73 N     0.00000   -0.13009   -0.01244

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    2.883583   24.873629    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.057230   24.143560    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:55:08  -2.74   +inf  -414.273941    3      1      
iter:   2  19:57:19  -3.59  -3.34  -414.346617    2      1      
iter:   3  19:59:29  -4.04  -2.65  -414.275303    2      1      
iter:   4  20:01:39  -4.51  -3.66  -414.271399    3      1      
iter:   5  20:03:49  -4.55  -3.72  -414.272054    3      1      
iter:   6  20:05:56  -4.65  -3.70  -414.271643    3      1      
iter:   7  20:08:03  -5.12  -4.10  -414.272140    3      1      
iter:   8  20:10:10  -5.42  -4.23  -414.271916    3      1      
iter:   9  20:12:16  -5.76  -4.11  -414.271816    2      1      
iter:  10  20:14:21  -6.32  -4.61  -414.271715    2      1      
iter:  11  20:16:27  -6.74  -4.48  -414.271585    2      1      
iter:  12  20:18:32  -6.82  -4.43  -414.272073    2      1      
iter:  13  20:20:39  -6.94  -4.45  -414.271519    2      1      
iter:  14  20:22:46  -7.42  -4.73  -414.271650    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963059, -32.597738, 0.042479) |e|*Ang

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

Kinetic:        +18.473305
Potential:     -137.384786
External:        +0.000000
XC:            -305.093509
Entropy (-ST):   -1.564835
Local:          +10.515757
--------------------------
Free energy:   -415.054067
Extrapolated:  -414.271650

Fermi level: -6.49924

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56872    0.14823
  0   340     -6.55347    0.14052
  0   341     -6.55248    0.14001
  0   342     -6.52521    0.12546

  1   339     -6.47381    0.19411
  1   340     -6.42519    0.14350
  1   341     -6.39060    0.11213
  1   342     -6.38649    0.10872



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17401
  1 Pt    0.00000   -0.00219   -0.37709
  2 Pt    0.00000   -0.01909   -0.43579
  3 O    -1.68359    0.00021   -0.71904
  4 O     1.68359    0.00021   -0.71904
  5 O     0.00000   -0.01104   -1.38833
  6 O     0.00000   -0.00283    1.76491
  7 Pt   -0.00000    0.01416    0.45000
  8 Pt    0.00000   -0.04173    0.75735
  9 O    -1.58111    0.00047    0.05058
 10 O     1.58111    0.00047    0.05058
 11 O     0.00000   -0.00885   -0.56731
 12 O    -0.00000    0.00820    0.13022
 13 Pt   -0.00000    0.27527   -0.03803
 14 Pt    0.00000   -0.02024    0.00567
 15 O     0.00045    0.01108    0.00296
 16 O    -0.00045    0.01108    0.00296
 17 O    -0.00000    0.00891   -1.02715
 18 O    -0.00000    0.00067    0.02725
 19 Pt    0.00000   -0.02318    0.12065
 20 Pt    0.00000   -0.04745    0.15131
 21 O    -0.21080    0.38387    0.22895
 22 O     0.21080    0.38387    0.22895
 23 O     0.00000   -0.01536   -0.08007
 24 O     0.00000   -0.00075    1.14994
 25 Pt   -0.00000    0.01703   -0.37979
 26 Pt    0.00000   -0.00015   -0.43603
 27 O    -1.69208    0.01339   -0.71845
 28 O     1.69208    0.01339   -0.71845
 29 O    -0.00000    0.04574   -1.39015
 30 O     0.00000   -0.00436    1.83016
 31 Pt   -0.00000    0.01891    0.51010
 32 Pt    0.00000   -0.14123    0.58057
 33 O    -1.61373   -0.01893    0.06974
 34 O     1.61373   -0.01893    0.06974
 35 O     0.00000   -0.03248   -0.52608
 36 O    -0.00000    0.21488   -0.12169
 37 Pt    0.00000   -0.30610   -0.04602
 38 Pt    0.00000   -0.00366   -0.01252
 39 O     0.01137    0.01141    0.01533
 40 O    -0.01137    0.01141    0.01533
 41 O    -0.00000    0.00587   -0.01032
 42 O    -0.00000    0.03379   -0.01564
 43 Pt    0.00000   -0.00758    0.10475
 44 Pt    0.00000   -0.08970    0.03904
 45 O    -0.21101   -0.38881    0.24446
 46 O     0.21101   -0.38881    0.24446
 47 O     0.00000   -0.02428   -0.04726
 48 O    -0.00000    0.02231    1.17196
 49 Pt    0.00000   -0.02295   -0.37918
 50 Pt   -0.00000    0.02116   -0.43791
 51 O    -1.69144   -0.01393   -0.71861
 52 O     1.69144   -0.01393   -0.71861
 53 O     0.00000   -0.01185   -1.40568
 54 O     0.00000   -0.00206    1.77312
 55 Pt    0.00000   -0.01215    0.51537
 56 Pt   -0.00000    0.12409    0.65462
 57 O    -1.61398    0.01377    0.09059
 58 O     1.61398    0.01377    0.09059
 59 O     0.00000   -0.02124   -0.51744
 60 O     0.00000   -0.20510   -0.11794
 61 Pt   -0.00000    0.01019   -0.09127
 62 Pt   -0.00000    0.01722   -0.00711
 63 O    -0.01385   -0.00812    0.00233
 64 O     0.01385   -0.00812    0.00233
 65 O     0.00000   -0.00115   -0.00179
 66 O     0.00000   -0.01183   -0.00404
 67 Pt   -0.00000    0.00720    0.02532
 68 Pt   -0.00000    0.15772    0.02001
 69 O    -0.00815   -0.00418   -0.02198
 70 O     0.00815   -0.00418   -0.02198
 71 O    -0.00000    0.00868   -0.04418
 72 N    -0.00000    0.21188    0.37784
 73 N     0.00000   -0.22082   -0.14334

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    2.859789   24.887433    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.041824   24.148524    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:34:41  -2.74   +inf  -414.296375    3      1      
iter:   2  20:36:51  -3.34  -2.94  -414.831814    3      1      
iter:   3  20:39:02  -3.68  -2.22  -414.273391    3      1      
iter:   4  20:41:13  -4.34  -3.49  -414.275726    3      1      
iter:   5  20:43:25  -4.75  -3.84  -414.272585    3      1      
iter:   6  20:45:36  -4.60  -3.86  -414.271966    3      1      
iter:   7  20:47:47  -5.23  -4.01  -414.273170    2      1      
iter:   8  20:49:57  -5.35  -4.20  -414.272738    3      1      
iter:   9  20:52:08  -5.73  -4.38  -414.272842    2      1      
iter:  10  20:54:19  -5.88  -3.78  -414.273557    2      1      
iter:  11  20:56:30  -5.92  -4.18  -414.272365    3      1      
iter:  12  20:58:40  -6.24  -4.36  -414.272689    2      1      
iter:  13  21:01:00  -6.89  -4.82  -414.272687    2      1      
iter:  14  21:03:23  -6.82  -4.90  -414.272769    2      1      
iter:  15  21:05:31  -7.05  -4.81  -414.272699    2      1      
iter:  16  21:07:33  -7.28  -4.72  -414.272479    2      1      
iter:  17  21:09:21  -7.38  -4.24  -414.272700    2      1      
iter:  18  21:11:09  -7.89  -5.16  -414.272646    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963051, -32.600201, 0.043504) |e|*Ang

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

Kinetic:        +18.555359
Potential:     -137.455985
External:        +0.000000
XC:            -305.105404
Entropy (-ST):   -1.564828
Local:          +10.515798
--------------------------
Free energy:   -415.055060
Extrapolated:  -414.272646

Fermi level: -6.49803

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56739    0.14817
  0   340     -6.55236    0.14057
  0   341     -6.55139    0.14007
  0   342     -6.52399    0.12545

  1   339     -6.47267    0.19419
  1   340     -6.42404    0.14357
  1   341     -6.38947    0.11219
  1   342     -6.38527    0.10871



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17428
  1 Pt    0.00000   -0.00222   -0.37611
  2 Pt    0.00000   -0.01910   -0.43424
  3 O    -1.68316    0.00021   -0.71859
  4 O     1.68316    0.00021   -0.71859
  5 O     0.00000   -0.01100   -1.38830
  6 O     0.00000   -0.00279    1.76753
  7 Pt   -0.00000    0.01415    0.45105
  8 Pt    0.00000   -0.04170    0.75781
  9 O    -1.58113    0.00046    0.05086
 10 O     1.58113    0.00046    0.05086
 11 O     0.00000   -0.00882   -0.56691
 12 O    -0.00000    0.00825    0.13033
 13 Pt   -0.00000    0.27549   -0.03702
 14 Pt    0.00000   -0.02037    0.00610
 15 O    -0.00005    0.01102    0.00308
 16 O     0.00005    0.01102    0.00308
 17 O    -0.00000    0.00906   -1.02587
 18 O     0.00000    0.00050    0.02687
 19 Pt    0.00000   -0.02333    0.11854
 20 Pt    0.00000   -0.04792    0.14951
 21 O    -0.21133    0.38409    0.22719
 22 O     0.21133    0.38409    0.22719
 23 O     0.00000   -0.01502   -0.08117
 24 O     0.00000   -0.00073    1.15022
 25 Pt   -0.00000    0.01703   -0.37877
 26 Pt    0.00000   -0.00016   -0.43449
 27 O    -1.69167    0.01339   -0.71798
 28 O     1.69167    0.01339   -0.71798
 29 O    -0.00000    0.04567   -1.39018
 30 O     0.00000   -0.00445    1.83282
 31 Pt   -0.00000    0.01893    0.51112
 32 Pt    0.00000   -0.14127    0.58110
 33 O    -1.61374   -0.01892    0.07001
 34 O     1.61374   -0.01892    0.07001
 35 O     0.00000   -0.03254   -0.52563
 36 O    -0.00000    0.21507   -0.12180
 37 Pt    0.00000   -0.30635   -0.04520
 38 Pt    0.00000   -0.00350   -0.01220
 39 O     0.01096    0.01145    0.01542
 40 O    -0.01096    0.01145    0.01542
 41 O    -0.00000    0.00607   -0.00820
 42 O    -0.00000    0.03376   -0.01592
 43 Pt    0.00000   -0.00732    0.10396
 44 Pt    0.00000   -0.09021    0.03774
 45 O    -0.21216   -0.38945    0.24491
 46 O     0.21216   -0.38945    0.24491
 47 O     0.00000   -0.02423   -0.04835
 48 O    -0.00000    0.02231    1.17222
 49 Pt    0.00000   -0.02293   -0.37821
 50 Pt   -0.00000    0.02116   -0.43640
 51 O    -1.69102   -0.01392   -0.71817
 52 O     1.69102   -0.01392   -0.71817
 53 O     0.00000   -0.01183   -1.40574
 54 O     0.00000   -0.00201    1.77582
 55 Pt    0.00000   -0.01215    0.51648
 56 Pt   -0.00000    0.12410    0.65518
 57 O    -1.61398    0.01377    0.09087
 58 O     1.61398    0.01377    0.09087
 59 O     0.00000   -0.02124   -0.51695
 60 O     0.00000   -0.20537   -0.11802
 61 Pt   -0.00000    0.01021   -0.09062
 62 Pt   -0.00000    0.01720   -0.00668
 63 O    -0.01448   -0.00810    0.00236
 64 O     0.01448   -0.00810    0.00236
 65 O     0.00000   -0.00110   -0.00048
 66 O     0.00000   -0.01159   -0.00444
 67 Pt   -0.00000    0.00707    0.02398
 68 Pt   -0.00000    0.15792    0.01694
 69 O    -0.00874   -0.00431   -0.02294
 70 O     0.00874   -0.00431   -0.02294
 71 O    -0.00000    0.00837   -0.04543
 72 N    -0.00000    0.22233    0.36754
 73 N     0.00000   -0.23006   -0.21614

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    2.835590   24.900093    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.025540   24.152050    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:15:47  -2.74   +inf  -414.278055    3      1      
iter:   2  21:17:58  -3.65  -3.63  -414.273695    3      1      
iter:   3  21:20:10  -4.20  -3.56  -414.277983    3      1      
iter:   4  21:22:20  -4.62  -3.55  -414.279227    2      1      
iter:   5  21:24:30  -4.48  -3.33  -414.274702    3      1      
iter:   6  21:26:40  -4.77  -3.97  -414.274938    2      1      
iter:   7  21:28:52  -5.22  -4.28  -414.275168    2      1      
iter:   8  21:31:03  -5.41  -4.24  -414.275169    3      1      
iter:   9  21:33:13  -5.93  -4.36  -414.274918    2      1      
iter:  10  21:35:24  -6.49  -4.82  -414.275113    2      1      
iter:  11  21:37:35  -6.80  -4.30  -414.275156    2      1      
iter:  12  21:39:46  -6.90  -4.35  -414.274791    2      1      
iter:  13  21:41:57  -7.22  -4.76  -414.274934    2      1      
iter:  14  21:44:08  -7.39  -5.02  -414.274913    2      1      
iter:  15  21:46:18  -7.72  -5.13  -414.274984    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963042, -32.601833, 0.042884) |e|*Ang

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

Kinetic:        +18.503456
Potential:     -137.415617
External:        +0.000000
XC:            -305.093447
Entropy (-ST):   -1.564659
Local:          +10.512953
--------------------------
Free energy:   -415.057314
Extrapolated:  -414.274984

Fermi level: -6.49856

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56773    0.14808
  0   340     -6.55298    0.14062
  0   341     -6.55203    0.14013
  0   342     -6.52445    0.12541

  1   339     -6.47315    0.19415
  1   340     -6.42467    0.14367
  1   341     -6.39002    0.11221
  1   342     -6.38572    0.10865



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17428
  1 Pt    0.00000   -0.00222   -0.37662
  2 Pt    0.00000   -0.01908   -0.43476
  3 O    -1.68296    0.00024   -0.71867
  4 O     1.68296    0.00024   -0.71867
  5 O     0.00000   -0.01102   -1.38837
  6 O     0.00000   -0.00284    1.76827
  7 Pt   -0.00000    0.01407    0.45146
  8 Pt    0.00000   -0.04177    0.75825
  9 O    -1.58084    0.00038    0.05106
 10 O     1.58084    0.00038    0.05106
 11 O     0.00000   -0.00886   -0.56666
 12 O    -0.00000    0.00828    0.13052
 13 Pt   -0.00000    0.27540   -0.03605
 14 Pt    0.00000   -0.02039    0.00690
 15 O     0.00022    0.01106    0.00351
 16 O    -0.00022    0.01106    0.00351
 17 O    -0.00000    0.00941   -1.02395
 18 O     0.00000    0.00039    0.02697
 19 Pt    0.00000   -0.02307    0.11845
 20 Pt    0.00000   -0.04885    0.14976
 21 O    -0.21152    0.38413    0.22653
 22 O     0.21152    0.38413    0.22653
 23 O     0.00000   -0.01503   -0.08194
 24 O     0.00000   -0.00075    1.15022
 25 Pt   -0.00000    0.01703   -0.37932
 26 Pt    0.00000   -0.00020   -0.43495
 27 O    -1.69147    0.01337   -0.71808
 28 O     1.69147    0.01337   -0.71808
 29 O    -0.00000    0.04569   -1.39019
 30 O     0.00000   -0.00436    1.83373
 31 Pt   -0.00000    0.01898    0.51152
 32 Pt    0.00000   -0.14116    0.58145
 33 O    -1.61342   -0.01889    0.07020
 34 O     1.61342   -0.01889    0.07020
 35 O     0.00000   -0.03247   -0.52539
 36 O    -0.00000    0.21502   -0.12165
 37 Pt    0.00000   -0.30628   -0.04424
 38 Pt    0.00000   -0.00360   -0.01159
 39 O     0.01121    0.01144    0.01587
 40 O    -0.01121    0.01144    0.01587
 41 O    -0.00000    0.00615   -0.00510
 42 O    -0.00000    0.03377   -0.01592
 43 Pt    0.00000   -0.00741    0.10462
 44 Pt    0.00000   -0.09060    0.03837
 45 O    -0.21281   -0.38992    0.24622
 46 O     0.21281   -0.38992    0.24622
 47 O     0.00000   -0.02414   -0.04898
 48 O    -0.00000    0.02231    1.17222
 49 Pt    0.00000   -0.02293   -0.37870
 50 Pt   -0.00000    0.02119   -0.43684
 51 O    -1.69080   -0.01394   -0.71823
 52 O     1.69080   -0.01394   -0.71823
 53 O     0.00000   -0.01182   -1.40570
 54 O     0.00000   -0.00205    1.77689
 55 Pt    0.00000   -0.01211    0.51691
 56 Pt   -0.00000    0.12405    0.65555
 57 O    -1.61371    0.01383    0.09108
 58 O     1.61371    0.01383    0.09108
 59 O     0.00000   -0.02126   -0.51674
 60 O     0.00000   -0.20539   -0.11794
 61 Pt   -0.00000    0.01021   -0.08960
 62 Pt   -0.00000    0.01730   -0.00615
 63 O    -0.01415   -0.00813    0.00274
 64 O     0.01415   -0.00813    0.00274
 65 O     0.00000   -0.00111    0.00243
 66 O     0.00000   -0.01142   -0.00454
 67 Pt   -0.00000    0.00689    0.02437
 68 Pt   -0.00000    0.15820    0.01674
 69 O    -0.00925   -0.00437   -0.02315
 70 O     0.00925   -0.00437   -0.02315
 71 O    -0.00000    0.00837   -0.04595
 72 N    -0.00000    0.19947    0.33160
 73 N     0.00000   -0.27367   -0.09003

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    2.843194   24.896111    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.029616   24.151733    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:55:54  -3.76   +inf  -414.279649    3      1      
iter:   2  21:58:04  -3.90  -3.12  -414.546650    3      1      
iter:   3  22:00:17  -4.12  -2.39  -414.277060    3      1      
iter:   4  22:02:28  -4.87  -3.83  -414.274662    3      1      
iter:   5  22:04:39  -5.28  -4.25  -414.274492    2      1      
iter:   6  22:06:48  -5.48  -4.24  -414.274289    3      1      
iter:   7  22:08:59  -5.92  -4.44  -414.274403    2      1      
iter:   8  22:11:09  -6.22  -4.75  -414.274462    2      1      
iter:   9  22:13:19  -6.51  -4.95  -414.274499    2      1      
iter:  10  22:15:29  -6.81  -5.03  -414.274351    2      1      
iter:  11  22:17:41  -7.31  -4.78  -414.274445    2      1      
iter:  12  22:19:55  -7.85  -4.89  -414.274510    2      1      

Converged after 12 iterations.

Dipole moment: (-55.963046, -32.601390, 0.043616) |e|*Ang

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

Kinetic:        +18.488819
Potential:     -137.405413
External:        +0.000000
XC:            -305.089724
Entropy (-ST):   -1.564671
Local:          +10.514142
--------------------------
Free energy:   -415.056846
Extrapolated:  -414.274510

Fermi level: -6.49828

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56770    0.14820
  0   340     -6.55256    0.14055
  0   341     -6.55157    0.14004
  0   342     -6.52425    0.12546

  1   339     -6.47272    0.19398
  1   340     -6.42427    0.14355
  1   341     -6.38972    0.11220
  1   342     -6.38550    0.10870



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17479
  1 Pt    0.00000   -0.00222   -0.37685
  2 Pt    0.00000   -0.01909   -0.43463
  3 O    -1.68396    0.00022   -0.71858
  4 O     1.68396    0.00022   -0.71858
  5 O     0.00000   -0.01100   -1.38845
  6 O     0.00000   -0.00280    1.76468
  7 Pt   -0.00000    0.01416    0.44961
  8 Pt    0.00000   -0.04171    0.75659
  9 O    -1.58093    0.00046    0.05030
 10 O     1.58093    0.00046    0.05030
 11 O     0.00000   -0.00883   -0.56789
 12 O    -0.00000    0.00833    0.12944
 13 Pt   -0.00000    0.27565   -0.03774
 14 Pt    0.00000   -0.02039    0.00597
 15 O     0.00041    0.01104    0.00298
 16 O    -0.00041    0.01104    0.00298
 17 O    -0.00000    0.00928   -1.02756
 18 O     0.00000    0.00044    0.02650
 19 Pt    0.00000   -0.02320    0.11708
 20 Pt    0.00000   -0.04803    0.15084
 21 O    -0.21092    0.38411    0.22609
 22 O     0.21092    0.38411    0.22609
 23 O     0.00000   -0.01419   -0.08203
 24 O     0.00000   -0.00073    1.15074
 25 Pt   -0.00000    0.01703   -0.37952
 26 Pt    0.00000   -0.00015   -0.43486
 27 O    -1.69247    0.01338   -0.71797
 28 O     1.69247    0.01338   -0.71797
 29 O    -0.00000    0.04569   -1.39039
 30 O     0.00000   -0.00440    1.82998
 31 Pt   -0.00000    0.01891    0.50968
 32 Pt    0.00000   -0.14122    0.57997
 33 O    -1.61352   -0.01893    0.06946
 34 O     1.61352   -0.01893    0.06946
 35 O     0.00000   -0.03249   -0.52659
 36 O    -0.00000    0.21522   -0.12276
 37 Pt    0.00000   -0.30652   -0.04603
 38 Pt    0.00000   -0.00353   -0.01237
 39 O     0.01141    0.01143    0.01522
 40 O    -0.01141    0.01143    0.01522
 41 O    -0.00000    0.00611   -0.00899
 42 O    -0.00000    0.03379   -0.01631
 43 Pt    0.00000   -0.00736    0.10444
 44 Pt    0.00000   -0.09088    0.03857
 45 O    -0.21287   -0.38985    0.24680
 46 O     0.21287   -0.38985    0.24680
 47 O     0.00000   -0.02459   -0.04898
 48 O    -0.00000    0.02229    1.17274
 49 Pt    0.00000   -0.02293   -0.37895
 50 Pt   -0.00000    0.02116   -0.43677
 51 O    -1.69182   -0.01392   -0.71815
 52 O     1.69182   -0.01392   -0.71815
 53 O     0.00000   -0.01185   -1.40594
 54 O     0.00000   -0.00205    1.77302
 55 Pt    0.00000   -0.01214    0.51503
 56 Pt   -0.00000    0.12406    0.65401
 57 O    -1.61377    0.01378    0.09032
 58 O     1.61377    0.01378    0.09032
 59 O     0.00000   -0.02127   -0.51798
 60 O     0.00000   -0.20564   -0.11895
 61 Pt   -0.00000    0.01020   -0.09130
 62 Pt   -0.00000    0.01724   -0.00682
 63 O    -0.01399   -0.00810    0.00225
 64 O     0.01399   -0.00810    0.00225
 65 O     0.00000   -0.00106   -0.00155
 66 O     0.00000   -0.01154   -0.00482
 67 Pt   -0.00000    0.00691    0.02321
 68 Pt   -0.00000    0.15786    0.01537
 69 O    -0.00865   -0.00449   -0.02353
 70 O     0.00865   -0.00449   -0.02353
 71 O    -0.00000    0.00800   -0.04647
 72 N    -0.00000    0.19419    0.27646
 73 N     0.00000   -0.27478   -0.08261

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    2.878464   24.877242    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.045264   24.153824    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:28:07  -2.45   +inf  -414.285198    3      1      
iter:   2  22:30:19  -3.14  -2.99  -414.698030    3      1      
iter:   3  22:32:31  -3.56  -2.28  -414.278743    3      1      
iter:   4  22:34:43  -4.03  -3.51  -414.272886    3      1      
iter:   5  22:36:56  -4.21  -3.76  -414.272377    3      1      
iter:   6  22:39:07  -4.31  -3.79  -414.271602    3      1      
iter:   7  22:41:19  -4.82  -3.95  -414.272092    2      1      
iter:   8  22:43:30  -5.09  -4.19  -414.272155    2      1      
iter:   9  22:45:42  -5.29  -4.03  -414.271618    2      1      
iter:  10  22:47:55  -5.71  -4.27  -414.272922    3      1      
iter:  11  22:50:07  -6.01  -4.17  -414.272010    2      1      
iter:  12  22:52:19  -6.52  -4.62  -414.272268    2      1      
iter:  13  22:54:31  -6.63  -4.44  -414.272190    2      1      
iter:  14  22:56:43  -6.89  -4.67  -414.272216    2      1      
iter:  15  22:58:55  -7.29  -4.65  -414.272146    2      1      
iter:  16  23:01:07  -7.86  -5.21  -414.272112    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963045, -32.596721, 0.041615) |e|*Ang

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

Kinetic:        +18.399446
Potential:     -137.338647
External:        +0.000000
XC:            -305.066587
Entropy (-ST):   -1.564903
Local:          +10.516128
--------------------------
Free energy:   -415.054563
Extrapolated:  -414.272112

Fermi level: -6.49932

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56859    0.14813
  0   340     -6.55367    0.14058
  0   341     -6.55270    0.14008
  0   342     -6.52529    0.12546

  1   339     -6.47392    0.19415
  1   340     -6.42533    0.14357
  1   341     -6.39080    0.11223
  1   342     -6.38669    0.10882



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17549
  1 Pt    0.00000   -0.00223   -0.37485
  2 Pt    0.00000   -0.01912   -0.43240
  3 O    -1.68324    0.00020   -0.71826
  4 O     1.68324    0.00020   -0.71826
  5 O     0.00000   -0.01098   -1.38820
  6 O     0.00000   -0.00271    1.76811
  7 Pt   -0.00000    0.01414    0.45109
  8 Pt    0.00000   -0.04159    0.75720
  9 O    -1.58120    0.00053    0.05046
 10 O     1.58120    0.00053    0.05046
 11 O     0.00000   -0.00880   -0.56717
 12 O    -0.00000    0.00828    0.13044
 13 Pt   -0.00000    0.27706   -0.03681
 14 Pt    0.00000   -0.02061    0.00636
 15 O    -0.00015    0.01090    0.00321
 16 O     0.00015    0.01090    0.00321
 17 O    -0.00000    0.00911   -1.03041
 18 O     0.00000    0.00032    0.02702
 19 Pt    0.00000   -0.02319    0.11418
 20 Pt    0.00000   -0.04504    0.15713
 21 O    -0.21125    0.38513    0.22427
 22 O     0.21125    0.38513    0.22427
 23 O     0.00000   -0.01206   -0.08463
 24 O     0.00000   -0.00072    1.15142
 25 Pt   -0.00000    0.01704   -0.37747
 26 Pt    0.00000   -0.00012   -0.43269
 27 O    -1.69172    0.01339   -0.71765
 28 O     1.69172    0.01339   -0.71765
 29 O    -0.00000    0.04560   -1.39023
 30 O     0.00000   -0.00454    1.83339
 31 Pt   -0.00000    0.01894    0.51109
 32 Pt    0.00000   -0.14121    0.58084
 33 O    -1.61387   -0.01896    0.06960
 34 O     1.61387   -0.01896    0.06960
 35 O     0.00000   -0.03256   -0.52582
 36 O    -0.00000    0.21591   -0.12229
 37 Pt    0.00000   -0.30793   -0.04513
 38 Pt    0.00000   -0.00323   -0.01212
 39 O     0.01092    0.01148    0.01537
 40 O    -0.01092    0.01148    0.01537
 41 O    -0.00000    0.00610   -0.00743
 42 O    -0.00000    0.03375   -0.01575
 43 Pt    0.00000   -0.00751    0.10588
 44 Pt    0.00000   -0.09275    0.04279
 45 O    -0.21461   -0.39065    0.24918
 46 O     0.21461   -0.39065    0.24918
 47 O     0.00000   -0.02549   -0.04997
 48 O    -0.00000    0.02230    1.17341
 49 Pt    0.00000   -0.02293   -0.37700
 50 Pt   -0.00000    0.02116   -0.43467
 51 O    -1.69111   -0.01391   -0.71783
 52 O     1.69111   -0.01391   -0.71783
 53 O     0.00000   -0.01177   -1.40585
 54 O     0.00000   -0.00199    1.77626
 55 Pt    0.00000   -0.01214    0.51658
 56 Pt   -0.00000    0.12394    0.65508
 57 O    -1.61403    0.01373    0.09048
 58 O     1.61403    0.01373    0.09048
 59 O     0.00000   -0.02123   -0.51696
 60 O     0.00000   -0.20626   -0.11833
 61 Pt   -0.00000    0.01014   -0.09110
 62 Pt   -0.00000    0.01717   -0.00650
 63 O    -0.01467   -0.00800    0.00241
 64 O     0.01467   -0.00800    0.00241
 65 O     0.00000   -0.00092   -0.00103
 66 O     0.00000   -0.01144   -0.00431
 67 Pt   -0.00000    0.00685    0.02186
 68 Pt   -0.00000    0.15734    0.01087
 69 O    -0.00874   -0.00483   -0.02417
 70 O     0.00874   -0.00483   -0.02417
 71 O    -0.00000    0.00686   -0.04945
 72 N    -0.00000    0.17203    0.25875
 73 N     0.00000   -0.10154   -0.11423

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    2.871432   24.882030    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.037933   24.158543    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:10:31  -3.60   +inf  -414.273427    3      1      
iter:   2  23:12:43  -4.50  -3.77  -414.284553    3      1      
iter:   3  23:14:56  -4.97  -3.08  -414.272826    2      1      
iter:   4  23:17:09  -5.57  -4.26  -414.273627    2      1      
iter:   5  23:19:21  -5.65  -4.23  -414.272688    3      1      
iter:   6  23:21:35  -5.70  -4.30  -414.272980    2      1      
iter:   7  23:23:47  -6.13  -4.55  -414.273035    2      1      
iter:   8  23:25:59  -6.43  -4.61  -414.272990    2      1      
iter:   9  23:28:12  -6.76  -4.76  -414.273019    2      1      
iter:  10  23:30:23  -7.11  -4.81  -414.272958    2      1      
iter:  11  23:32:35  -7.67  -5.12  -414.273033    2      1      

Converged after 11 iterations.

Dipole moment: (-55.963059, -32.596576, 0.041027) |e|*Ang

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

Kinetic:        +18.313829
Potential:     -137.267751
External:        +0.000000
XC:            -305.052353
Entropy (-ST):   -1.564780
Local:          +10.515631
--------------------------
Free energy:   -415.055423
Extrapolated:  -414.273033

Fermi level: -6.50017

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56940    0.14811
  0   340     -6.55449    0.14057
  0   341     -6.55352    0.14006
  0   342     -6.52613    0.12545

  1   339     -6.47464    0.19401
  1   340     -6.42620    0.14358
  1   341     -6.39166    0.11224
  1   342     -6.38754    0.10882



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17489
  1 Pt    0.00000   -0.00223   -0.37627
  2 Pt    0.00000   -0.01911   -0.43405
  3 O    -1.68356    0.00019   -0.71853
  4 O     1.68356    0.00019   -0.71853
  5 O     0.00000   -0.01097   -1.38833
  6 O     0.00000   -0.00268    1.76615
  7 Pt   -0.00000    0.01423    0.45040
  8 Pt    0.00000   -0.04154    0.75673
  9 O    -1.58091    0.00058    0.05072
 10 O     1.58091    0.00058    0.05072
 11 O     0.00000   -0.00874   -0.56714
 12 O    -0.00000    0.00831    0.13047
 13 Pt   -0.00000    0.27749   -0.03645
 14 Pt    0.00000   -0.02045    0.00676
 15 O     0.00005    0.01092    0.00355
 16 O    -0.00005    0.01092    0.00355
 17 O    -0.00000    0.00953   -1.03146
 18 O    -0.00000    0.00052    0.02706
 19 Pt    0.00000   -0.02334    0.11734
 20 Pt    0.00000   -0.04662    0.15923
 21 O    -0.21149    0.38526    0.22553
 22 O     0.21149    0.38526    0.22553
 23 O     0.00000   -0.01317   -0.08313
 24 O     0.00000   -0.00070    1.15080
 25 Pt   -0.00000    0.01706   -0.37886
 26 Pt    0.00000   -0.00012   -0.43437
 27 O    -1.69204    0.01340   -0.71790
 28 O     1.69204    0.01340   -0.71790
 29 O    -0.00000    0.04555   -1.39039
 30 O     0.00000   -0.00462    1.83135
 31 Pt   -0.00000    0.01892    0.51044
 32 Pt    0.00000   -0.14127    0.58045
 33 O    -1.61358   -0.01898    0.06984
 34 O     1.61358   -0.01898    0.06984
 35 O     0.00000   -0.03262   -0.52578
 36 O    -0.00000    0.21601   -0.12229
 37 Pt    0.00000   -0.30839   -0.04471
 38 Pt    0.00000   -0.00336   -0.01164
 39 O     0.01107    0.01151    0.01581
 40 O    -0.01107    0.01151    0.01581
 41 O    -0.00000    0.00613   -0.00679
 42 O    -0.00000    0.03375   -0.01574
 43 Pt    0.00000   -0.00750    0.10716
 44 Pt    0.00000   -0.09267    0.04334
 45 O    -0.21418   -0.39123    0.24881
 46 O     0.21418   -0.39123    0.24881
 47 O     0.00000   -0.02498   -0.04937
 48 O    -0.00000    0.02229    1.17279
 49 Pt    0.00000   -0.02295   -0.37845
 50 Pt   -0.00000    0.02114   -0.43638
 51 O    -1.69144   -0.01390   -0.71810
 52 O     1.69144   -0.01390   -0.71810
 53 O     0.00000   -0.01174   -1.40600
 54 O     0.00000   -0.00195    1.77420
 55 Pt    0.00000   -0.01221    0.51589
 56 Pt   -0.00000    0.12394    0.65462
 57 O    -1.61375    0.01369    0.09074
 58 O     1.61375    0.01369    0.09074
 59 O     0.00000   -0.02121   -0.51692
 60 O     0.00000   -0.20642   -0.11840
 61 Pt   -0.00000    0.01015   -0.09067
 62 Pt   -0.00000    0.01713   -0.00605
 63 O    -0.01445   -0.00805    0.00283
 64 O     0.01445   -0.00805    0.00283
 65 O     0.00000   -0.00106   -0.00001
 66 O     0.00000   -0.01163   -0.00423
 67 Pt   -0.00000    0.00705    0.02360
 68 Pt   -0.00000    0.15787    0.01406
 69 O    -0.00868   -0.00453   -0.02372
 70 O     0.00868   -0.00453   -0.02372
 71 O    -0.00000    0.00748   -0.04812
 72 N    -0.00000    0.18674    0.23048
 73 N     0.00000   -0.14118   -0.03005

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    2.869217   24.887693    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.026778   24.172235    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:44:07  -3.18   +inf  -414.273166    3      1      
iter:   2  23:46:20  -3.85  -3.25  -414.363146    3      1      
iter:   3  23:48:32  -4.21  -2.66  -414.286523    3      1      
iter:   4  23:50:44  -4.63  -3.19  -414.275912    3      1      
iter:   5  23:52:56  -4.99  -3.90  -414.275057    2      1      
iter:   6  23:55:08  -4.95  -4.25  -414.275515    3      1      
iter:   7  23:57:21  -5.04  -3.91  -414.274663    2      1      
iter:   8  23:59:32  -5.59  -4.42  -414.274769    2      1      
iter:   9  00:01:44  -6.17  -4.57  -414.275053    2      1      
iter:  10  00:03:56  -6.58  -4.33  -414.274534    2      1      
iter:  11  00:06:09  -6.88  -4.53  -414.274829    2      1      
iter:  12  00:08:21  -7.11  -4.75  -414.274772    2      1      
iter:  13  00:10:34  -7.22  -4.88  -414.274904    2      1      
iter:  14  00:12:47  -7.30  -4.60  -414.274862    2      1      
iter:  15  00:14:59  -7.35  -4.85  -414.274779    2      1      
iter:  16  00:17:11  -7.81  -4.83  -414.274860    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963050, -32.594263, 0.038655) |e|*Ang

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

Kinetic:        +18.103584
Potential:     -137.112662
External:        +0.000000
XC:            -304.996409
Entropy (-ST):   -1.564853
Local:          +10.513054
--------------------------
Free energy:   -415.057286
Extrapolated:  -414.274860

Fermi level: -6.50217

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57120    0.14801
  0   340     -6.55651    0.14058
  0   341     -6.55557    0.14009
  0   342     -6.52813    0.12545

  1   339     -6.47662    0.19399
  1   340     -6.42823    0.14362
  1   341     -6.39378    0.11235
  1   342     -6.38965    0.10892



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17483
  1 Pt    0.00000   -0.00227   -0.37630
  2 Pt    0.00000   -0.01910   -0.43434
  3 O    -1.68341    0.00021   -0.71864
  4 O     1.68341    0.00021   -0.71864
  5 O     0.00000   -0.01103   -1.38840
  6 O     0.00000   -0.00282    1.76677
  7 Pt   -0.00000    0.01416    0.45092
  8 Pt    0.00000   -0.04168    0.75709
  9 O    -1.58089    0.00052    0.05073
 10 O     1.58089    0.00052    0.05073
 11 O     0.00000   -0.00881   -0.56669
 12 O    -0.00000    0.00841    0.13112
 13 Pt   -0.00000    0.27914   -0.03589
 14 Pt    0.00000   -0.02031    0.00706
 15 O    -0.00002    0.01109    0.00380
 16 O     0.00002    0.01109    0.00380
 17 O    -0.00000    0.01033   -1.03736
 18 O    -0.00000    0.00069    0.02694
 19 Pt    0.00000   -0.02340    0.11814
 20 Pt    0.00000   -0.05034    0.15708
 21 O    -0.21242    0.38598    0.22447
 22 O     0.21242    0.38598    0.22447
 23 O     0.00000   -0.01477   -0.08457
 24 O     0.00000   -0.00073    1.15076
 25 Pt   -0.00000    0.01709   -0.37898
 26 Pt    0.00000   -0.00013   -0.43464
 27 O    -1.69191    0.01338   -0.71803
 28 O     1.69191    0.01338   -0.71803
 29 O    -0.00000    0.04556   -1.39049
 30 O     0.00000   -0.00438    1.83206
 31 Pt   -0.00000    0.01894    0.51104
 32 Pt    0.00000   -0.14083    0.58107
 33 O    -1.61350   -0.01898    0.06987
 34 O     1.61350   -0.01898    0.06987
 35 O     0.00000   -0.03253   -0.52544
 36 O    -0.00000    0.21671   -0.12212
 37 Pt    0.00000   -0.31027   -0.04415
 38 Pt    0.00000   -0.00363   -0.01152
 39 O     0.01092    0.01142    0.01623
 40 O    -0.01092    0.01142    0.01623
 41 O    -0.00000    0.00592   -0.00536
 42 O    -0.00000    0.03375   -0.01600
 43 Pt    0.00000   -0.00747    0.10467
 44 Pt    0.00000   -0.09152    0.03690
 45 O    -0.21448   -0.39264    0.24555
 46 O     0.21448   -0.39264    0.24555
 47 O     0.00000   -0.02370   -0.05160
 48 O    -0.00000    0.02229    1.17277
 49 Pt    0.00000   -0.02293   -0.37842
 50 Pt   -0.00000    0.02115   -0.43655
 51 O    -1.69128   -0.01392   -0.71821
 52 O     1.69128   -0.01392   -0.71821
 53 O     0.00000   -0.01170   -1.40606
 54 O     0.00000   -0.00205    1.77501
 55 Pt    0.00000   -0.01216    0.51633
 56 Pt   -0.00000    0.12364    0.65515
 57 O    -1.61375    0.01376    0.09066
 58 O     1.61375    0.01376    0.09066
 59 O     0.00000   -0.02125   -0.51686
 60 O     0.00000   -0.20725   -0.11834
 61 Pt   -0.00000    0.01035   -0.09054
 62 Pt   -0.00000    0.01726   -0.00593
 63 O    -0.01443   -0.00812    0.00305
 64 O     0.01443   -0.00812    0.00305
 65 O     0.00000   -0.00102    0.00185
 66 O     0.00000   -0.01177   -0.00445
 67 Pt   -0.00000    0.00716    0.02294
 68 Pt   -0.00000    0.15826    0.01338
 69 O    -0.00954   -0.00417   -0.02534
 70 O     0.00954   -0.00417   -0.02534
 71 O    -0.00000    0.00780   -0.04894
 72 N     0.00000   -0.00806    0.07814
 73 N    -0.00000    0.10485    0.08974

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    2.870407   24.889470    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.016258   24.187415    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:24:26  -3.16   +inf  -414.275197    3      1      
iter:   2  00:26:34  -3.76  -3.23  -414.419896    3      1      
iter:   3  00:28:41  -4.11  -2.54  -414.281878    3      1      
iter:   4  00:30:46  -4.60  -3.45  -414.276132    3      1      
iter:   5  00:32:52  -4.88  -3.97  -414.275332    2      1      
iter:   6  00:34:58  -4.95  -4.02  -414.275695    3      1      
iter:   7  00:37:06  -5.14  -4.22  -414.275454    2      1      
iter:   8  00:39:15  -5.60  -4.42  -414.275574    2      1      
iter:   9  00:41:26  -6.08  -4.68  -414.275637    2      1      
iter:  10  00:43:38  -6.54  -4.67  -414.275409    2      1      
iter:  11  00:45:51  -7.08  -4.67  -414.275759    2      1      
iter:  12  00:48:03  -7.40  -4.76  -414.275584    2      1      

Converged after 12 iterations.

Dipole moment: (-55.963114, -32.591290, 0.037188) |e|*Ang

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

Kinetic:        +17.940418
Potential:     -136.975572
External:        +0.000000
XC:            -304.970061
Entropy (-ST):   -1.565192
Local:          +10.512227
--------------------------
Free energy:   -415.058180
Extrapolated:  -414.275584

Fermi level: -6.50404

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57352    0.14823
  0   340     -6.55800    0.14038
  0   341     -6.55698    0.13985
  0   342     -6.53026    0.12560

  1   339     -6.47825    0.19372
  1   340     -6.42978    0.14330
  1   341     -6.39576    0.11243
  1   342     -6.39179    0.10914



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17525
  1 Pt    0.00000   -0.00228   -0.37641
  2 Pt    0.00000   -0.01910   -0.43375
  3 O    -1.68510    0.00021   -0.71809
  4 O     1.68510    0.00021   -0.71809
  5 O     0.00000   -0.01098   -1.38700
  6 O     0.00000   -0.00267    1.76054
  7 Pt   -0.00000    0.01399    0.44854
  8 Pt    0.00000   -0.04158    0.75490
  9 O    -1.58110    0.00047    0.05050
 10 O     1.58110    0.00047    0.05050
 11 O     0.00000   -0.00876   -0.56821
 12 O    -0.00000    0.00808    0.13094
 13 Pt   -0.00000    0.28184   -0.03835
 14 Pt    0.00000   -0.02071    0.00562
 15 O     0.00070    0.01084    0.00293
 16 O    -0.00070    0.01084    0.00293
 17 O    -0.00000    0.01090   -1.05149
 18 O     0.00000    0.00047    0.02679
 19 Pt    0.00000   -0.02316    0.11818
 20 Pt    0.00000   -0.05144    0.16562
 21 O    -0.21159    0.38676    0.22479
 22 O     0.21159    0.38676    0.22479
 23 O     0.00000   -0.01360   -0.08346
 24 O     0.00000   -0.00073    1.15115
 25 Pt   -0.00000    0.01712   -0.37898
 26 Pt    0.00000   -0.00016   -0.43412
 27 O    -1.69358    0.01339   -0.71744
 28 O     1.69358    0.01339   -0.71744
 29 O    -0.00000    0.04540   -1.38920
 30 O     0.00000   -0.00468    1.82598
 31 Pt   -0.00000    0.01903    0.50839
 32 Pt    0.00000   -0.14064    0.57936
 33 O    -1.61379   -0.01892    0.06960
 34 O     1.61379   -0.01892    0.06960
 35 O     0.00000   -0.03259   -0.52691
 36 O    -0.00000    0.21819   -0.12341
 37 Pt    0.00000   -0.31285   -0.04641
 38 Pt    0.00000   -0.00300   -0.01300
 39 O     0.01188    0.01155    0.01529
 40 O    -0.01188    0.01155    0.01529
 41 O    -0.00000    0.00576   -0.01399
 42 O    -0.00000    0.03398   -0.01594
 43 Pt    0.00000   -0.00724    0.10754
 44 Pt    0.00000   -0.09288    0.04104
 45 O    -0.21435   -0.39382    0.25060
 46 O     0.21435   -0.39382    0.25060
 47 O     0.00000   -0.02461   -0.05099
 48 O    -0.00000    0.02232    1.17313
 49 Pt    0.00000   -0.02295   -0.37855
 50 Pt   -0.00000    0.02117   -0.43607
 51 O    -1.69297   -0.01392   -0.71765
 52 O     1.69297   -0.01392   -0.71765
 53 O     0.00000   -0.01159   -1.40490
 54 O     0.00000   -0.00191    1.76906
 55 Pt    0.00000   -0.01208    0.51415
 56 Pt   -0.00000    0.12336    0.65380
 57 O    -1.61401    0.01374    0.09043
 58 O     1.61401    0.01374    0.09043
 59 O     0.00000   -0.02123   -0.51790
 60 O     0.00000   -0.20837   -0.11980
 61 Pt   -0.00000    0.01015   -0.09385
 62 Pt   -0.00000    0.01703   -0.00797
 63 O    -0.01415   -0.00798    0.00225
 64 O     0.01415   -0.00798    0.00225
 65 O     0.00000   -0.00082   -0.00824
 66 O     0.00000   -0.01177   -0.00472
 67 Pt   -0.00000    0.00662    0.02187
 68 Pt   -0.00000    0.15896    0.01267
 69 O    -0.00763   -0.00464   -0.02509
 70 O     0.00763   -0.00464   -0.02509
 71 O    -0.00000    0.00771   -0.04889
 72 N     0.00000   -0.03762    0.02784
 73 N    -0.00000    0.09672    0.06256

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    2.867311   24.893491    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.004889   24.200844    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:01:43  -3.19   +inf  -414.410445    3      1      
iter:   2  01:03:56  -2.79  -2.54  -417.936150    3      1      
iter:   3  01:06:09  -3.14  -1.85  -414.297063    3      1      
iter:   4  01:08:22  -3.74  -3.01  -414.280637    3      1      
iter:   5  01:10:35  -4.26  -3.64  -414.276596    3      1      
iter:   6  01:12:48  -4.67  -3.78  -414.276546    3      1      
iter:   7  01:15:00  -5.03  -4.13  -414.276029    2      1      
iter:   8  01:17:13  -5.25  -4.12  -414.276361    2      1      
iter:   9  01:19:25  -5.65  -4.19  -414.276118    2      1      
iter:  10  01:21:38  -6.08  -4.52  -414.276254    2      1      
iter:  11  01:23:51  -6.51  -4.35  -414.275878    2      1      
iter:  12  01:26:04  -7.04  -4.54  -414.276247    2      1      
iter:  13  01:28:16  -7.15  -4.66  -414.276071    2      1      
iter:  14  01:30:27  -7.13  -4.77  -414.276097    2      1      
iter:  15  01:32:39  -7.31  -4.73  -414.276196    2      1      
iter:  16  01:34:51  -7.71  -4.67  -414.276136    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962968, -32.588964, 0.033588) |e|*Ang

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

Kinetic:        +17.928457
Potential:     -136.982928
External:        +0.000000
XC:            -304.949943
Entropy (-ST):   -1.565159
Local:          +10.510857
--------------------------
Free energy:   -415.058716
Extrapolated:  -414.276136

Fermi level: -6.50646

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57534    0.14793
  0   340     -6.56065    0.14050
  0   341     -6.55972    0.14002
  0   342     -6.53253    0.12551

  1   339     -6.48083    0.19390
  1   340     -6.43242    0.14352
  1   341     -6.39832    0.11255
  1   342     -6.39422    0.10914



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17492
  1 Pt    0.00000   -0.00234   -0.37633
  2 Pt    0.00000   -0.01910   -0.43370
  3 O    -1.68383    0.00022   -0.71812
  4 O     1.68383    0.00022   -0.71812
  5 O     0.00000   -0.01103   -1.38754
  6 O     0.00000   -0.00278    1.76539
  7 Pt   -0.00000    0.01406    0.45048
  8 Pt    0.00000   -0.04164    0.75707
  9 O    -1.58082    0.00051    0.05061
 10 O     1.58082    0.00051    0.05061
 11 O     0.00000   -0.00881   -0.56672
 12 O    -0.00000    0.00842    0.13198
 13 Pt   -0.00000    0.28273   -0.03640
 14 Pt    0.00000   -0.02046    0.00684
 15 O     0.00027    0.01099    0.00313
 16 O    -0.00027    0.01099    0.00313
 17 O    -0.00000    0.01159   -1.05301
 18 O    -0.00000    0.00058    0.02740
 19 Pt    0.00000   -0.02301    0.12063
 20 Pt    0.00000   -0.05475    0.16106
 21 O    -0.21278    0.38805    0.22388
 22 O     0.21278    0.38805    0.22388
 23 O     0.00000   -0.01438   -0.08536
 24 O     0.00000   -0.00075    1.15085
 25 Pt   -0.00000    0.01716   -0.37899
 26 Pt    0.00000   -0.00013   -0.43404
 27 O    -1.69232    0.01338   -0.71751
 28 O     1.69232    0.01338   -0.71751
 29 O    -0.00000    0.04539   -1.38976
 30 O     0.00000   -0.00445    1.83084
 31 Pt   -0.00000    0.01902    0.51054
 32 Pt    0.00000   -0.14036    0.58161
 33 O    -1.61344   -0.01897    0.06975
 34 O     1.61344   -0.01897    0.06975
 35 O     0.00000   -0.03252   -0.52540
 36 O    -0.00000    0.21829   -0.12247
 37 Pt    0.00000   -0.31403   -0.04480
 38 Pt    0.00000   -0.00352   -0.01212
 39 O     0.01127    0.01149    0.01553
 40 O    -0.01127    0.01149    0.01553
 41 O    -0.00000    0.00564   -0.00539
 42 O    -0.00000    0.03391   -0.01582
 43 Pt    0.00000   -0.00755    0.10801
 44 Pt    0.00000   -0.09231    0.03956
 45 O    -0.21580   -0.39574    0.24864
 46 O     0.21580   -0.39574    0.24864
 47 O     0.00000   -0.02414   -0.05255
 48 O    -0.00000    0.02230    1.17284
 49 Pt    0.00000   -0.02293   -0.37844
 50 Pt   -0.00000    0.02115   -0.43596
 51 O    -1.69171   -0.01392   -0.71767
 52 O     1.69171   -0.01392   -0.71767
 53 O     0.00000   -0.01154   -1.40536
 54 O     0.00000   -0.00203    1.77381
 55 Pt    0.00000   -0.01213    0.51597
 56 Pt   -0.00000    0.12315    0.65578
 57 O    -1.61372    0.01376    0.09049
 58 O     1.61372    0.01376    0.09049
 59 O     0.00000   -0.02126   -0.51667
 60 O     0.00000   -0.20890   -0.11876
 61 Pt   -0.00000    0.01038   -0.09176
 62 Pt   -0.00000    0.01729   -0.00663
 63 O    -0.01437   -0.00808    0.00244
 64 O     0.01437   -0.00808    0.00244
 65 O     0.00000   -0.00072    0.00115
 66 O     0.00000   -0.01178   -0.00433
 67 Pt   -0.00000    0.00686    0.02386
 68 Pt   -0.00000    0.15937    0.01534
 69 O    -0.00917   -0.00437   -0.02614
 70 O     0.00917   -0.00437   -0.02614
 71 O    -0.00000    0.00804   -0.04956
 72 N     0.00000   -0.11644    0.03995
 73 N    -0.00000    0.10228    0.16267

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    2.862520   24.898433    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.993206   24.214163    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:41:28  -3.20   +inf  -414.277915    3      1      
iter:   2  01:43:39  -3.94  -3.40  -414.335755    3      1      
iter:   3  01:45:51  -4.28  -2.71  -414.279490    2      1      
iter:   4  01:48:03  -4.82  -3.78  -414.277268    3      1      
iter:   5  01:50:15  -5.11  -4.04  -414.277337    2      1      
iter:   6  01:52:27  -4.96  -4.34  -414.277108    3      1      
iter:   7  01:54:40  -5.38  -4.07  -414.277143    2      1      
iter:   8  01:56:53  -5.85  -4.60  -414.277149    2      1      
iter:   9  01:59:05  -6.36  -4.40  -414.277030    2      1      
iter:  10  02:01:18  -6.76  -4.68  -414.277368    2      1      
iter:  11  02:03:31  -7.07  -4.67  -414.277032    2      1      
iter:  12  02:05:44  -7.19  -4.85  -414.277128    2      1      
iter:  13  02:07:58  -7.49  -4.81  -414.277131    2      1      

Converged after 13 iterations.

Dipole moment: (-55.963139, -32.586879, 0.031053) |e|*Ang

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

Kinetic:        +17.813965
Potential:     -136.883759
External:        +0.000000
XC:            -304.934443
Entropy (-ST):   -1.565301
Local:          +10.509756
--------------------------
Free energy:   -415.059782
Extrapolated:  -414.277131

Fermi level: -6.50868

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57745    0.14788
  0   340     -6.56289    0.14051
  0   341     -6.56198    0.14004
  0   342     -6.53483    0.12556

  1   339     -6.48306    0.19391
  1   340     -6.43465    0.14353
  1   341     -6.40069    0.11268
  1   342     -6.39656    0.10924



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17450
  1 Pt    0.00000   -0.00234   -0.37672
  2 Pt    0.00000   -0.01914   -0.43471
  3 O    -1.68331    0.00018   -0.71882
  4 O     1.68331    0.00018   -0.71882
  5 O     0.00000   -0.01100   -1.38750
  6 O     0.00000   -0.00269    1.76677
  7 Pt   -0.00000    0.01411    0.45081
  8 Pt    0.00000   -0.04155    0.75651
  9 O    -1.58080    0.00062    0.05073
 10 O     1.58080    0.00062    0.05073
 11 O     0.00000   -0.00876   -0.56732
 12 O    -0.00000    0.00827    0.13234
 13 Pt   -0.00000    0.28473   -0.03613
 14 Pt    0.00000   -0.02061    0.00711
 15 O     0.00017    0.01099    0.00347
 16 O    -0.00017    0.01099    0.00347
 17 O    -0.00000    0.01207   -1.05881
 18 O    -0.00000    0.00069    0.02686
 19 Pt    0.00000   -0.02326    0.12257
 20 Pt    0.00000   -0.05700    0.16156
 21 O    -0.21344    0.38872    0.22587
 22 O     0.21344    0.38872    0.22587
 23 O     0.00000   -0.01469   -0.08457
 24 O     0.00000   -0.00068    1.15039
 25 Pt   -0.00000    0.01717   -0.37930
 26 Pt    0.00000   -0.00007   -0.43515
 27 O    -1.69177    0.01339   -0.71819
 28 O     1.69177    0.01339   -0.71819
 29 O    -0.00000    0.04526   -1.38993
 30 O     0.00000   -0.00458    1.83207
 31 Pt   -0.00000    0.01899    0.51079
 32 Pt    0.00000   -0.14029    0.58162
 33 O    -1.61349   -0.01902    0.06983
 34 O     1.61349   -0.01902    0.06983
 35 O     0.00000   -0.03257   -0.52598
 36 O    -0.00000    0.21983   -0.12295
 37 Pt    0.00000   -0.31605   -0.04446
 38 Pt    0.00000   -0.00311   -0.01182
 39 O     0.01128    0.01143    0.01595
 40 O    -0.01128    0.01143    0.01595
 41 O    -0.00000    0.00600   -0.00704
 42 O    -0.00000    0.03417   -0.01616
 43 Pt    0.00000   -0.00719    0.10933
 44 Pt    0.00000   -0.09240    0.03936
 45 O    -0.21622   -0.39680    0.25114
 46 O     0.21622   -0.39680    0.25114
 47 O     0.00000   -0.02359   -0.05244
 48 O    -0.00000    0.02228    1.17239
 49 Pt    0.00000   -0.02293   -0.37892
 50 Pt   -0.00000    0.02112   -0.43716
 51 O    -1.69122   -0.01389   -0.71838
 52 O     1.69122   -0.01389   -0.71838
 53 O     0.00000   -0.01144   -1.40568
 54 O     0.00000   -0.00197    1.77483
 55 Pt    0.00000   -0.01215    0.51640
 56 Pt   -0.00000    0.12300    0.65595
 57 O    -1.61367    0.01368    0.09064
 58 O     1.61367    0.01368    0.09064
 59 O     0.00000   -0.02126   -0.51710
 60 O     0.00000   -0.21027   -0.11930
 61 Pt   -0.00000    0.01034   -0.09257
 62 Pt   -0.00000    0.01703   -0.00639
 63 O    -0.01448   -0.00802    0.00273
 64 O     0.01448   -0.00802    0.00273
 65 O     0.00000   -0.00108   -0.00121
 66 O     0.00000   -0.01218   -0.00480
 67 Pt   -0.00000    0.00680    0.02491
 68 Pt   -0.00000    0.16006    0.01630
 69 O    -0.00883   -0.00441   -0.02437
 70 O     0.00883   -0.00441   -0.02437
 71 O    -0.00000    0.00781   -0.04897
 72 N     0.00000   -0.16114    0.00326
 73 N    -0.00000    0.13641    0.16976

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    2.861459   24.901390    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.982018   24.229315    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:18:33  -3.17   +inf  -414.275202    3      1      
iter:   2  02:20:46  -3.90  -3.66  -414.288247    3      1      
iter:   3  02:22:58  -4.33  -3.19  -414.280198    3      1      
iter:   4  02:25:10  -4.73  -3.51  -414.277477    3      1      
iter:   5  02:27:23  -4.97  -3.97  -414.277621    2      1      
iter:   6  02:29:36  -4.90  -4.39  -414.277454    2      1      
iter:   7  02:31:50  -5.20  -4.37  -414.277427    2      1      
iter:   8  02:34:02  -5.69  -4.52  -414.276931    2      1      
iter:   9  02:36:15  -6.23  -4.34  -414.277367    2      1      
iter:  10  02:38:28  -6.66  -4.48  -414.277489    2      1      
iter:  11  02:40:40  -6.79  -4.24  -414.277201    2      1      
iter:  12  02:42:53  -7.23  -4.78  -414.277325    2      1      
iter:  13  02:45:05  -7.30  -4.80  -414.277373    2      1      
iter:  14  02:47:16  -7.49  -5.14  -414.277404    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963143, -32.584429, 0.028504) |e|*Ang

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

Kinetic:        +17.767173
Potential:     -136.860105
External:        +0.000000
XC:            -304.911260
Entropy (-ST):   -1.565285
Local:          +10.509431
--------------------------
Free energy:   -415.060046
Extrapolated:  -414.277404

Fermi level: -6.51052

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57898    0.14773
  0   340     -6.56483    0.14056
  0   341     -6.56397    0.14012
  0   342     -6.53663    0.12553

  1   339     -6.48490    0.19391
  1   340     -6.43658    0.14361
  1   341     -6.40270    0.11282
  1   342     -6.39845    0.10928



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17469
  1 Pt    0.00000   -0.00229   -0.37615
  2 Pt    0.00000   -0.01910   -0.43416
  3 O    -1.68296    0.00022   -0.71858
  4 O     1.68296    0.00022   -0.71858
  5 O     0.00000   -0.01107   -1.38798
  6 O     0.00000   -0.00283    1.76836
  7 Pt   -0.00000    0.01420    0.45174
  8 Pt    0.00000   -0.04165    0.75699
  9 O    -1.58096    0.00061    0.05108
 10 O     1.58096    0.00061    0.05108
 11 O     0.00000   -0.00881   -0.56646
 12 O    -0.00000    0.00855    0.13246
 13 Pt   -0.00000    0.28621   -0.03557
 14 Pt    0.00000   -0.02039    0.00745
 15 O    -0.00039    0.01127    0.00370
 16 O     0.00039    0.01127    0.00370
 17 O    -0.00000    0.01256   -1.06388
 18 O    -0.00000    0.00069    0.02686
 19 Pt    0.00000   -0.02286    0.12357
 20 Pt    0.00000   -0.05799    0.16535
 21 O    -0.21395    0.38984    0.22519
 22 O     0.21395    0.38984    0.22519
 23 O     0.00000   -0.01450   -0.08615
 24 O     0.00000   -0.00073    1.15058
 25 Pt   -0.00000    0.01717   -0.37885
 26 Pt    0.00000   -0.00009   -0.43459
 27 O    -1.69146    0.01339   -0.71798
 28 O     1.69146    0.01339   -0.71798
 29 O    -0.00000    0.04532   -1.39039
 30 O     0.00000   -0.00432    1.83360
 31 Pt   -0.00000    0.01891    0.51190
 32 Pt    0.00000   -0.13993    0.58226
 33 O    -1.61359   -0.01904    0.07023
 34 O     1.61359   -0.01904    0.07023
 35 O     0.00000   -0.03251   -0.52527
 36 O    -0.00000    0.21999   -0.12305
 37 Pt    0.00000   -0.31769   -0.04420
 38 Pt    0.00000   -0.00356   -0.01143
 39 O     0.01059    0.01125    0.01614
 40 O    -0.01059    0.01125    0.01614
 41 O    -0.00000    0.00596   -0.00330
 42 O    -0.00000    0.03451   -0.01650
 43 Pt    0.00000   -0.00763    0.11067
 44 Pt    0.00000   -0.09245    0.03955
 45 O    -0.21762   -0.39863    0.25192
 46 O     0.21762   -0.39863    0.25192
 47 O     0.00000   -0.02352   -0.05399
 48 O    -0.00000    0.02230    1.17258
 49 Pt    0.00000   -0.02298   -0.37829
 50 Pt   -0.00000    0.02111   -0.43649
 51 O    -1.69088   -0.01393   -0.71812
 52 O     1.69088   -0.01393   -0.71812
 53 O     0.00000   -0.01143   -1.40594
 54 O     0.00000   -0.00208    1.77662
 55 Pt    0.00000   -0.01216    0.51713
 56 Pt   -0.00000    0.12275    0.65638
 57 O    -1.61387    0.01373    0.09090
 58 O     1.61387    0.01373    0.09090
 59 O     0.00000   -0.02127   -0.51664
 60 O     0.00000   -0.21077   -0.11938
 61 Pt   -0.00000    0.01044   -0.09189
 62 Pt   -0.00000    0.01726   -0.00579
 63 O    -0.01477   -0.00814    0.00302
 64 O     0.01477   -0.00814    0.00302
 65 O     0.00000   -0.00101    0.00322
 66 O     0.00000   -0.01249   -0.00501
 67 Pt   -0.00000    0.00682    0.02508
 68 Pt   -0.00000    0.15966    0.01613
 69 O    -0.00984   -0.00426   -0.02542
 70 O     0.00984   -0.00426   -0.02542
 71 O    -0.00000    0.00770   -0.05031
 72 N     0.00000   -0.21768   -0.05016
 73 N    -0.00000    0.22860    0.23298

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    2.852496   24.909045    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.969987   24.242418    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:58:35  -3.12   +inf  -414.282892    3      1      
iter:   2  03:00:47  -3.79  -3.18  -414.468350    2      1      
iter:   3  03:02:57  -4.17  -2.47  -414.279251    2      1      
iter:   4  03:05:07  -4.81  -3.86  -414.278852    2      1      
iter:   5  03:07:18  -4.73  -4.12  -414.277214    3      1      
iter:   6  03:09:28  -5.03  -3.96  -414.278816    2      1      
iter:   7  03:11:38  -5.68  -4.11  -414.278163    3      1      
iter:   8  03:13:50  -6.19  -4.38  -414.278318    2      1      
iter:   9  03:16:00  -6.36  -4.51  -414.278318    2      1      
iter:  10  03:18:11  -6.86  -4.57  -414.278348    2      1      
iter:  11  03:20:22  -7.11  -4.62  -414.278228    2      1      
iter:  12  03:22:34  -7.35  -4.61  -414.278444    2      1      
iter:  13  03:24:46  -7.45  -4.87  -414.278186    2      1      

Converged after 13 iterations.

Dipole moment: (-55.963193, -32.583173, 0.026365) |e|*Ang

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

Kinetic:        +17.838256
Potential:     -136.913349
External:        +0.000000
XC:            -304.929016
Entropy (-ST):   -1.565627
Local:          +10.508736
--------------------------
Free energy:   -415.061000
Extrapolated:  -414.278186

Fermi level: -6.51223

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58082    0.14779
  0   340     -6.56638    0.14048
  0   341     -6.56552    0.14004
  0   342     -6.53850    0.12562

  1   339     -6.48673    0.19404
  1   340     -6.43813    0.14346
  1   341     -6.40455    0.11294
  1   342     -6.40029    0.10939



Forces in eV/Ang:
  0 O     0.00000   -0.01774    1.17435
  1 Pt    0.00000   -0.00232   -0.37534
  2 Pt    0.00000   -0.01920   -0.43376
  3 O    -1.68287    0.00019   -0.71861
  4 O     1.68287    0.00019   -0.71861
  5 O     0.00000   -0.01106   -1.38780
  6 O     0.00000   -0.00278    1.76878
  7 Pt   -0.00000    0.01442    0.45177
  8 Pt    0.00000   -0.04154    0.75673
  9 O    -1.58125    0.00085    0.05162
 10 O     1.58125    0.00085    0.05162
 11 O     0.00000   -0.00879   -0.56690
 12 O    -0.00000    0.00858    0.13199
 13 Pt   -0.00000    0.28689   -0.03702
 14 Pt    0.00000   -0.02046    0.00608
 15 O    -0.00086    0.01129    0.00358
 16 O     0.00086    0.01129    0.00358
 17 O    -0.00000    0.01266   -1.06928
 18 O    -0.00000    0.00093    0.02697
 19 Pt    0.00000   -0.02320    0.12483
 20 Pt    0.00000   -0.05804    0.17210
 21 O    -0.21340    0.39041    0.22772
 22 O     0.21340    0.39041    0.22772
 23 O     0.00000   -0.01404   -0.08450
 24 O     0.00000   -0.00062    1.15021
 25 Pt   -0.00000    0.01716   -0.37795
 26 Pt    0.00000    0.00005   -0.43431
 27 O    -1.69132    0.01341   -0.71801
 28 O     1.69132    0.01341   -0.71801
 29 O    -0.00000    0.04528   -1.39030
 30 O     0.00000   -0.00433    1.83370
 31 Pt   -0.00000    0.01876    0.51195
 32 Pt    0.00000   -0.13992    0.58238
 33 O    -1.61395   -0.01919    0.07077
 34 O     1.61395   -0.01919    0.07077
 35 O     0.00000   -0.03249   -0.52571
 36 O    -0.00000    0.22031   -0.12327
 37 Pt    0.00000   -0.31869   -0.04602
 38 Pt    0.00000   -0.00326   -0.01240
 39 O     0.01011    0.01112    0.01600
 40 O    -0.01011    0.01112    0.01600
 41 O    -0.00000    0.00664   -0.00817
 42 O    -0.00000    0.03462   -0.01647
 43 Pt    0.00000   -0.00751    0.11302
 44 Pt    0.00000   -0.09351    0.04350
 45 O    -0.21799   -0.40000    0.25578
 46 O     0.21799   -0.40000    0.25578
 47 O     0.00000   -0.02389   -0.05273
 48 O    -0.00000    0.02228    1.17225
 49 Pt    0.00000   -0.02296   -0.37756
 50 Pt   -0.00000    0.02106   -0.43631
 51 O    -1.69083   -0.01391   -0.71814
 52 O     1.69083   -0.01391   -0.71814
 53 O     0.00000   -0.01141   -1.40593
 54 O     0.00000   -0.00214    1.77635
 55 Pt    0.00000   -0.01222    0.51714
 56 Pt   -0.00000    0.12264    0.65641
 57 O    -1.61415    0.01362    0.09143
 58 O     1.61415    0.01362    0.09143
 59 O     0.00000   -0.02131   -0.51707
 60 O     0.00000   -0.21111   -0.11929
 61 Pt   -0.00000    0.01073   -0.09345
 62 Pt   -0.00000    0.01703   -0.00641
 63 O    -0.01502   -0.00802    0.00319
 64 O     0.01502   -0.00802    0.00319
 65 O     0.00000   -0.00145   -0.00105
 66 O     0.00000   -0.01282   -0.00486
 67 Pt   -0.00000    0.00706    0.02521
 68 Pt   -0.00000    0.15969    0.01881
 69 O    -0.00851   -0.00409   -0.02356
 70 O     0.00851   -0.00409   -0.02356
 71 O    -0.00000    0.00765   -0.04921
 72 N     0.00000   -0.10624    0.01039
 73 N    -0.00000    0.11941    0.08308

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    2.862888   24.903302    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.968415   24.250771    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:37:15  -3.17   +inf  -414.279477    3      1      
iter:   2  03:39:27  -3.84  -3.57  -414.301704    3      1      
iter:   3  03:41:39  -4.22  -2.90  -414.276527    2      1      
iter:   4  03:43:53  -4.62  -3.85  -414.278948    3      1      
iter:   5  03:46:05  -4.80  -3.97  -414.277819    3      1      
iter:   6  03:48:17  -5.02  -3.96  -414.277676    3      1      
iter:   7  03:50:30  -5.55  -4.32  -414.277699    2      1      
iter:   8  03:52:43  -5.68  -4.33  -414.277469    3      1      
iter:   9  03:54:54  -6.14  -4.53  -414.277715    2      1      
iter:  10  03:57:06  -6.27  -4.45  -414.277248    2      1      
iter:  11  03:59:19  -6.69  -4.58  -414.277602    2      1      
iter:  12  04:01:31  -7.08  -4.43  -414.277487    2      1      
iter:  13  04:03:43  -7.21  -4.88  -414.277549    2      1      
iter:  14  04:05:56  -7.16  -5.12  -414.277595    2      1      
iter:  15  04:08:09  -7.60  -4.96  -414.277481    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963187, -32.580893, 0.025693) |e|*Ang

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

Kinetic:        +17.685547
Potential:     -136.801409
External:        +0.000000
XC:            -304.887913
Entropy (-ST):   -1.565665
Local:          +10.509127
--------------------------
Free energy:   -415.060314
Extrapolated:  -414.277481

Fermi level: -6.51311

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58178    0.14783
  0   340     -6.56716    0.14043
  0   341     -6.56625    0.13996
  0   342     -6.53944    0.12565

  1   339     -6.48739    0.19380
  1   340     -6.43893    0.14338
  1   341     -6.40551    0.11301
  1   342     -6.40126    0.10946



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17513
  1 Pt    0.00000   -0.00249   -0.37573
  2 Pt    0.00000   -0.01906   -0.43319
  3 O    -1.68392    0.00026   -0.71811
  4 O     1.68392    0.00026   -0.71811
  5 O     0.00000   -0.01100   -1.38759
  6 O     0.00000   -0.00280    1.76455
  7 Pt   -0.00000    0.01402    0.45020
  8 Pt    0.00000   -0.04165    0.75614
  9 O    -1.58121    0.00047    0.05095
 10 O     1.58121    0.00047    0.05095
 11 O     0.00000   -0.00879   -0.56747
 12 O    -0.00000    0.00857    0.13271
 13 Pt   -0.00000    0.28870   -0.03769
 14 Pt    0.00000   -0.02051    0.00649
 15 O     0.00009    0.01103    0.00334
 16 O    -0.00009    0.01103    0.00334
 17 O    -0.00000    0.01292   -1.07898
 18 O     0.00000    0.00026    0.02758
 19 Pt    0.00000   -0.02265    0.12233
 20 Pt    0.00000   -0.05821    0.17394
 21 O    -0.21312    0.39078    0.22471
 22 O     0.21312    0.39078    0.22471
 23 O     0.00000   -0.01333   -0.08626
 24 O     0.00000   -0.00077    1.15102
 25 Pt   -0.00000    0.01728   -0.37839
 26 Pt    0.00000   -0.00020   -0.43352
 27 O    -1.69244    0.01334   -0.71750
 28 O     1.69244    0.01334   -0.71750
 29 O    -0.00000    0.04511   -1.39001
 30 O     0.00000   -0.00434    1.83042
 31 Pt   -0.00000    0.01908    0.51032
 32 Pt    0.00000   -0.13952    0.58162
 33 O    -1.61376   -0.01897    0.07006
 34 O     1.61376   -0.01897    0.07006
 35 O     0.00000   -0.03250   -0.52631
 36 O    -0.00000    0.22079   -0.12364
 37 Pt    0.00000   -0.32036   -0.04653
 38 Pt    0.00000   -0.00355   -0.01268
 39 O     0.01108    0.01147    0.01564
 40 O    -0.01108    0.01147    0.01564
 41 O    -0.00000    0.00580   -0.00902
 42 O    -0.00000    0.03482   -0.01604
 43 Pt    0.00000   -0.00759    0.11266
 44 Pt    0.00000   -0.09396    0.04250
 45 O    -0.21830   -0.40018    0.25551
 46 O     0.21830   -0.40018    0.25551
 47 O     0.00000   -0.02451   -0.05415
 48 O    -0.00000    0.02232    1.17303
 49 Pt    0.00000   -0.02290   -0.37781
 50 Pt   -0.00000    0.02118   -0.43543
 51 O    -1.69177   -0.01392   -0.71763
 52 O     1.69177   -0.01392   -0.71763
 53 O     0.00000   -0.01131   -1.40557
 54 O     0.00000   -0.00211    1.77348
 55 Pt    0.00000   -0.01215    0.51569
 56 Pt   -0.00000    0.12235    0.65571
 57 O    -1.61418    0.01379    0.09071
 58 O     1.61418    0.01379    0.09071
 59 O     0.00000   -0.02130   -0.51768
 60 O     0.00000   -0.21160   -0.11987
 61 Pt   -0.00000    0.01051   -0.09443
 62 Pt   -0.00000    0.01737   -0.00687
 63 O    -0.01457   -0.00811    0.00272
 64 O     0.01457   -0.00811    0.00272
 65 O     0.00000   -0.00068   -0.00280
 66 O     0.00000   -0.01237   -0.00468
 67 Pt   -0.00000    0.00651    0.02328
 68 Pt   -0.00000    0.15988    0.01432
 69 O    -0.00870   -0.00450   -0.02607
 70 O     0.00870   -0.00450   -0.02607
 71 O    -0.00000    0.00766   -0.05140
 72 N     0.00000   -0.25119   -0.08674
 73 N    -0.00000    0.24961    0.21443

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    2.874651   24.897695    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.962273   24.267137    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:20:42  -2.81   +inf  -414.282710    3      1      
iter:   2  04:22:54  -3.39  -3.11  -414.513148    3      1      
iter:   3  04:25:07  -3.76  -2.41  -414.281276    2      1      
iter:   4  04:27:21  -4.22  -3.60  -414.276806    3      1      
iter:   5  04:29:32  -4.47  -3.92  -414.277618    3      1      
iter:   6  04:31:44  -4.62  -3.78  -414.276981    3      1      
iter:   7  04:33:56  -4.97  -4.10  -414.276770    3      1      
iter:   8  04:36:09  -5.26  -4.18  -414.276517    3      1      
iter:   9  04:38:21  -5.53  -4.22  -414.276188    2      1      
iter:  10  04:40:33  -5.90  -4.36  -414.276868    3      1      
iter:  11  04:42:45  -6.28  -4.32  -414.276282    2      1      
iter:  12  04:44:58  -6.74  -4.39  -414.276565    2      1      
iter:  13  04:47:11  -6.86  -4.71  -414.276536    2      1      
iter:  14  04:49:22  -6.95  -4.83  -414.276592    2      1      
iter:  15  04:51:35  -7.12  -4.68  -414.276587    2      1      
iter:  16  04:53:47  -7.55  -5.12  -414.276533    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963189, -32.576795, 0.022218) |e|*Ang

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

Kinetic:        +17.416927
Potential:     -136.599873
External:        +0.000000
XC:            -304.820368
Entropy (-ST):   -1.565630
Local:          +10.509595
--------------------------
Free energy:   -415.059348
Extrapolated:  -414.276533

Fermi level: -6.51566

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58385    0.14759
  0   340     -6.56988    0.14052
  0   341     -6.56905    0.14009
  0   342     -6.54191    0.12561

  1   339     -6.49000    0.19387
  1   340     -6.44164    0.14354
  1   341     -6.40824    0.11316
  1   342     -6.40385    0.10950



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17524
  1 Pt    0.00000   -0.00248   -0.37514
  2 Pt    0.00000   -0.01909   -0.43307
  3 O    -1.68299    0.00023   -0.71826
  4 O     1.68299    0.00023   -0.71826
  5 O     0.00000   -0.01104   -1.38779
  6 O     0.00000   -0.00284    1.76866
  7 Pt   -0.00000    0.01408    0.45195
  8 Pt    0.00000   -0.04166    0.75693
  9 O    -1.58109    0.00052    0.05108
 10 O     1.58109    0.00052    0.05108
 11 O     0.00000   -0.00883   -0.56682
 12 O    -0.00000    0.00865    0.13312
 13 Pt   -0.00000    0.29067   -0.03612
 14 Pt    0.00000   -0.02042    0.00771
 15 O    -0.00041    0.01116    0.00349
 16 O     0.00041    0.01116    0.00349
 17 O    -0.00000    0.01338   -1.08272
 18 O     0.00000    0.00045    0.02704
 19 Pt    0.00000   -0.02270    0.12341
 20 Pt    0.00000   -0.05948    0.17546
 21 O    -0.21436    0.39220    0.22418
 22 O     0.21436    0.39220    0.22418
 23 O     0.00000   -0.01378   -0.08820
 24 O     0.00000   -0.00076    1.15114
 25 Pt   -0.00000    0.01729   -0.37783
 26 Pt    0.00000   -0.00014   -0.43351
 27 O    -1.69150    0.01337   -0.71765
 28 O     1.69150    0.01337   -0.71765
 29 O    -0.00000    0.04508   -1.39030
 30 O     0.00000   -0.00433    1.83420
 31 Pt   -0.00000    0.01903    0.51211
 32 Pt    0.00000   -0.13929    0.58278
 33 O    -1.61366   -0.01902    0.07022
 34 O     1.61366   -0.01902    0.07022
 35 O     0.00000   -0.03249   -0.52565
 36 O    -0.00000    0.22164   -0.12366
 37 Pt    0.00000   -0.32251   -0.04496
 38 Pt    0.00000   -0.00369   -0.01154
 39 O     0.01053    0.01138    0.01589
 40 O    -0.01053    0.01138    0.01589
 41 O    -0.00000    0.00578   -0.00375
 42 O    -0.00000    0.03485   -0.01664
 43 Pt    0.00000   -0.00760    0.11271
 44 Pt    0.00000   -0.09404    0.04111
 45 O    -0.21955   -0.40208    0.25465
 46 O     0.21955   -0.40208    0.25465
 47 O     0.00000   -0.02384   -0.05625
 48 O    -0.00000    0.02233    1.17316
 49 Pt    0.00000   -0.02293   -0.37724
 50 Pt   -0.00000    0.02114   -0.43540
 51 O    -1.69088   -0.01392   -0.71779
 52 O     1.69088   -0.01392   -0.71779
 53 O     0.00000   -0.01125   -1.40587
 54 O     0.00000   -0.00208    1.77720
 55 Pt    0.00000   -0.01216    0.51738
 56 Pt   -0.00000    0.12213    0.65686
 57 O    -1.61408    0.01378    0.09079
 58 O     1.61408    0.01378    0.09079
 59 O     0.00000   -0.02128   -0.51708
 60 O     0.00000   -0.21252   -0.11993
 61 Pt   -0.00000    0.01060   -0.09339
 62 Pt   -0.00000    0.01742   -0.00575
 63 O    -0.01498   -0.00815    0.00286
 64 O     0.01498   -0.00815    0.00286
 65 O     0.00000   -0.00068    0.00227
 66 O     0.00000   -0.01260   -0.00516
 67 Pt   -0.00000    0.00661    0.02355
 68 Pt   -0.00000    0.15990    0.01392
 69 O    -0.00978   -0.00431   -0.02692
 70 O     0.00978   -0.00431   -0.02692
 71 O    -0.00000    0.00745   -0.05309
 72 N     0.00000   -0.45553   -0.20842
 73 N    -0.00000    0.48042    0.30171

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    2.884453   24.893372    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.955217   24.284050    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:09:46  -2.85   +inf  -414.296709    3      1      
iter:   2  05:11:59  -3.20  -2.86  -415.166337    3      1      
iter:   3  05:14:11  -3.57  -2.14  -414.281810    2      1      
iter:   4  05:16:24  -4.12  -3.47  -414.275209    3      1      
iter:   5  05:18:36  -4.45  -3.70  -414.275374    3      1      
iter:   6  05:20:48  -4.65  -3.91  -414.274359    3      1      
iter:   7  05:23:00  -4.89  -3.99  -414.274126    3      1      
iter:   8  05:25:14  -5.16  -4.10  -414.274229    3      1      
iter:   9  05:27:27  -5.39  -4.30  -414.273666    2      1      
iter:  10  05:29:40  -6.04  -4.29  -414.274854    3      1      
iter:  11  05:31:52  -6.21  -4.18  -414.273986    2      1      
iter:  12  05:34:05  -6.42  -4.16  -414.274006    2      1      
iter:  13  05:36:18  -6.79  -4.32  -414.274113    2      1      
iter:  14  05:38:29  -6.76  -4.81  -414.274165    2      1      
iter:  15  05:40:41  -6.95  -4.84  -414.274276    2      1      
iter:  16  05:42:53  -7.24  -4.68  -414.273992    2      1      
iter:  17  05:45:05  -7.58  -4.85  -414.274181    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963234, -32.573284, 0.020021) |e|*Ang

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

Kinetic:        +17.052202
Potential:     -136.310351
External:        +0.000000
XC:            -304.742355
Entropy (-ST):   -1.565675
Local:          +10.509159
--------------------------
Free energy:   -415.057019
Extrapolated:  -414.274181

Fermi level: -6.51783

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58598    0.14757
  0   340     -6.57197    0.14047
  0   341     -6.57113    0.14004
  0   342     -6.54416    0.12566

  1   339     -6.49202    0.19369
  1   340     -6.44376    0.14349
  1   341     -6.41058    0.11330
  1   342     -6.40613    0.10958



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17519
  1 Pt    0.00000   -0.00253   -0.37607
  2 Pt    0.00000   -0.01908   -0.43410
  3 O    -1.68352    0.00025   -0.71840
  4 O     1.68352    0.00025   -0.71840
  5 O     0.00000   -0.01104   -1.38787
  6 O     0.00000   -0.00284    1.76576
  7 Pt   -0.00000    0.01403    0.45083
  8 Pt    0.00000   -0.04164    0.75572
  9 O    -1.58084    0.00053    0.05099
 10 O     1.58084    0.00053    0.05099
 11 O     0.00000   -0.00881   -0.56733
 12 O    -0.00000    0.00866    0.13333
 13 Pt   -0.00000    0.29269   -0.03651
 14 Pt    0.00000   -0.02048    0.00756
 15 O    -0.00021    0.01105    0.00358
 16 O     0.00021    0.01105    0.00358
 17 O    -0.00000    0.01367   -1.09155
 18 O     0.00000    0.00035    0.02715
 19 Pt    0.00000   -0.02270    0.12578
 20 Pt    0.00000   -0.06016    0.17947
 21 O    -0.21474    0.39321    0.22488
 22 O     0.21474    0.39321    0.22488
 23 O     0.00000   -0.01363   -0.08786
 24 O     0.00000   -0.00077    1.15108
 25 Pt   -0.00000    0.01734   -0.37875
 26 Pt    0.00000   -0.00015   -0.43456
 27 O    -1.69203    0.01336   -0.71779
 28 O     1.69203    0.01336   -0.71779
 29 O    -0.00000    0.04499   -1.39048
 30 O     0.00000   -0.00435    1.83146
 31 Pt   -0.00000    0.01908    0.51096
 32 Pt    0.00000   -0.13904    0.58194
 33 O    -1.61341   -0.01901    0.07012
 34 O     1.61341   -0.01901    0.07012
 35 O     0.00000   -0.03251   -0.52616
 36 O    -0.00000    0.22261   -0.12413
 37 Pt    0.00000   -0.32470   -0.04542
 38 Pt    0.00000   -0.00359   -0.01176
 39 O     0.01077    0.01146    0.01594
 40 O    -0.01077    0.01146    0.01594
 41 O    -0.00000    0.00575   -0.00443
 42 O    -0.00000    0.03501   -0.01667
 43 Pt    0.00000   -0.00748    0.11532
 44 Pt    0.00000   -0.09481    0.04328
 45 O    -0.22034   -0.40348    0.25631
 46 O     0.22034   -0.40348    0.25631
 47 O     0.00000   -0.02407   -0.05637
 48 O    -0.00000    0.02233    1.17309
 49 Pt    0.00000   -0.02292   -0.37816
 50 Pt   -0.00000    0.02114   -0.43645
 51 O    -1.69140   -0.01392   -0.71791
 52 O     1.69140   -0.01392   -0.71791
 53 O     0.00000   -0.01116   -1.40606
 54 O     0.00000   -0.00206    1.77452
 55 Pt    0.00000   -0.01215    0.51631
 56 Pt   -0.00000    0.12187    0.65603
 57 O    -1.61386    0.01377    0.09067
 58 O     1.61386    0.01377    0.09067
 59 O     0.00000   -0.02128   -0.51757
 60 O     0.00000   -0.21350   -0.12031
 61 Pt   -0.00000    0.01070   -0.09427
 62 Pt   -0.00000    0.01737   -0.00596
 63 O    -0.01484   -0.00812    0.00302
 64 O     0.01484   -0.00812    0.00302
 65 O     0.00000   -0.00060    0.00125
 66 O     0.00000   -0.01267   -0.00529
 67 Pt   -0.00000    0.00649    0.02473
 68 Pt   -0.00000    0.16024    0.01554
 69 O    -0.00962   -0.00430   -0.02671
 70 O     0.00962   -0.00430   -0.02671
 71 O    -0.00000    0.00761   -0.05323
 72 N     0.00000   -0.78557   -0.32814
 73 N    -0.00000    0.73306    0.48706

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    2.877750   24.896615    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    1.944739   24.297174    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:59:35  -3.20   +inf  -414.291952    3      1      
iter:   2  06:01:45  -3.65  -3.06  -414.614198    3      1      
iter:   3  06:03:53  -3.94  -2.33  -414.276278    3      1      
iter:   4  06:05:58  -4.63  -3.55  -414.277997    3      1      
iter:   5  06:08:03  -5.11  -4.01  -414.276274    3      1      
iter:   6  06:10:08  -4.91  -4.00  -414.275523    3      1      
iter:   7  06:12:15  -5.44  -4.06  -414.276276    2      1      
